Gaussian 16 GINC-IRENE3800 ZOUBRITL Me_F-TS1 init DZ ES64L-G16RevC.01 14-Apr-2021 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 RwB97XD GenECP FOpt # WB97XD/GenECP SCRF=(Solvent=toluene,PCM) OptCyc=300 SCFCyc=300NoSymm Opt=(MaxStep=10,ModRedundant) Pop=(Regular,Orbitals=20) 158.90010639999997 0 1 AuxInfo=1/0/N:12,16,2,4,3,7,5,9,11,23,24,20;21;22/E:(1,2)(10,11);;/CRV:3.3,4.3,5.3,6.3,7.3,8.3;;/rA:24nHC3C3C3C3HC3HC3HBCHHHCHHHNH0H0FF/rB:s1;s2;s2;s3;s3;s4;s4;s5s7;s7;s5;;s12;s12;s12;;s16;s16;s16;s9s12s16;;;s11;s11;/rC:.3242,.4615,.1237;1.4011,.3389,.1297;2.2246,1.4333,-.0919;1.9637,-.9086,.3716;3.6198,1.311,-.0982;1.7755,2.407,-.2569;3.3437,-1.0532,.3797;1.3295,-1.7691,.5531;4.1717,.0407,.1352;3.7805,-2.0274,.5685;4.4847,2.5967,-.3776;6.1246,-.6078,-1.132;5.716,-.0299,-1.96;7.2125,-.506,-1.1397;5.8683,-1.668,-1.279;6.1425,-.8242,1.279;5.936,-1.9034,1.2418;7.2267,-.6899,1.2991;5.7248,-.4185,2.202;5.6025,-.0967,.1352;5.873,2.4677,.6449;5.9042,1.6982,.4656;5.1403,2.756,-1.6723;4.0864,3.8483,.2599; /ccc/products/gaussian-16-C.01/system/default/g16/g16 Output=Me_F-TS1.log NProcShared=64 Mem=60GB Chk=Me_F-TS1_init_DZ.chk # WB97XD/GenECP SCRF=(Solvent=toluene,PCM) OptCyc=300 SCFCyc=300 NoSym 1/6=300,8=10,18=120,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=7,11=2,16=1,17=8,25=1,30=1,70=2201,71=1,72=13,74=-58/1,2,3 4//1 5/5=2,7=300,38=5,53=13/2 6/28=1,96=20/1 7/30=1/1,2,3,16 1/6=300,8=10,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=7,6=1,11=2,16=1,17=8,25=1,30=1,70=2205,71=1,72=13,74=-58,82=7/1,2,3 4/5=5,16=3,69=1/1 5/5=2,7=300,38=5,53=13/2 7/30=1/1,2,3,16 1/6=300,8=10,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/19=2,28=1,96=20/1 99/9=1/99 Me_F-TS1 init DZ Add virtual bond connecting atoms H21 and B11 Dist= 3.27D+00. Add virtual bond connecting atoms H22 and B11 Dist= 3.55D+00. Add virtual bond connecting atoms H22 and N20 Dist= 3.50D+00. The following ModRedundant input section has been read: B 11 21 F B 21 22 F B 20 22 F Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 1 2 2 3 3 4 4 5 5 7 7 9 11 11 11 11 12 12 12 12 16 16 16 16 20 21 2 3 4 5 6 7 8 9 11 9 10 20 21 22 23 24 13 14 15 20 17 18 19 20 22 22 1.0839 1.3874 1.3897 1.4006 1.0848 1.3876 1.0842 1.4046 1.5745 1.3936 1.0843 1.4374 1.729 1.8797 1.46 1.46 1.0894 1.0927 1.1005 1.4627 1.0995 1.0927 1.0913 1.4592 1.8498 0.7908 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|Frozen|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|Frozen|Frozen A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 1 1 3 2 2 5 2 2 7 3 3 9 4 4 9 5 5 7 5 5 5 5 21 21 22 22 23 13 13 13 14 14 15 17 17 17 18 18 19 9 9 9 12 12 16 11 2 2 2 3 3 3 4 4 4 5 5 5 7 7 7 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 16 16 16 16 16 16 20 20 20 20 20 20 22 3 4 4 5 6 6 7 8 8 9 11 11 9 10 10 7 20 20 21 22 23 24 23 24 23 24 24 14 15 20 15 20 20 18 19 20 19 20 20 12 16 22 16 22 22 20 119.9766 120.3078 119.7126 121.5404 119.1169 119.3412 119.8125 120.317 119.8704 118.0116 118.4703 123.516 120.539 119.6912 119.7672 120.3706 118.5275 121.0954 105.9738 86.8398 119.5474 118.2097 99.9031 91.4208 96.3641 114.8305 114.5931 108.5795 108.7922 109.8291 108.7073 109.2064 111.6667 107.9178 108.7575 113.1648 108.5805 108.6824 109.632 112.8749 114.5849 93.9915 111.885 115.8231 106.4625 105.1018 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A47 A48 20 20 22 22 21 21 1 1 -1 -2 168.3955 estimate D2E/DX2|estimate D2E/DX2 177.0239 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 1 1 4 4 1 1 3 3 2 2 6 6 2 2 8 8 3 3 11 11 3 3 3 3 9 9 9 9 4 4 10 10 5 5 5 7 7 7 5 23 24 13 13 13 14 14 14 15 15 15 17 17 17 18 18 18 19 19 19 9 12 16 2 2 2 2 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 7 7 7 7 9 9 9 9 9 9 11 11 11 12 12 12 12 12 12 12 12 12 16 16 16 16 16 16 16 16 16 20 20 20 3 3 3 3 4 4 4 4 5 5 5 5 7 7 7 7 9 9 9 9 11 11 11 11 11 11 11 11 9 9 9 9 20 20 20 20 20 20 22 22 22 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 22 22 22 5 6 5 6 7 8 7 8 9 11 9 11 9 10 9 10 7 20 7 20 21 22 23 24 21 22 23 24 5 20 5 20 12 16 22 12 16 22 20 20 20 9 16 22 9 16 22 9 16 22 9 12 22 9 12 22 9 12 22 11 11 11 -179.6689 0.7779 0.961 -178.5922 -179.8597 0.1926 -0.4917 179.5606 -0.3466 179.1381 179.2056 -1.3097 -0.5779 -179.9935 179.3701 -0.0456 -0.7287 -179.8171 179.8147 0.7263 142.7315 158.7906 -105.6825 42.1977 -37.8141 -21.7551 73.7719 -138.3479 1.1982 -179.7371 -179.3866 -0.3219 -99.0045 131.3587 21.2183 81.914 -47.7228 -157.8632 29.8808 -89.5123 149.6228 50.1007 -178.8964 -56.6432 169.0663 -59.9308 62.3224 -70.6784 60.3245 -177.4223 72.1102 -58.0145 174.5267 -168.027 61.8482 -65.6105 -49.4893 -179.614 52.9272 -32.14 85.6777 -149.2371 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 Berny optimization. local minimum Step number 14 out of a maximum of 144 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00415 0.00456 0.00586 0.01015 0.01400 0.01450 0.01813 0.02169 0.02181 0.02211 0.02234 0.02240 0.02247 0.02800 0.03160 0.03587 0.05734 0.05861 0.06163 0.06190 0.06704 0.07165 0.09489 0.10783 0.13718 0.15650 0.15954 0.15991 0.15997 0.16000 0.16004 0.16006 0.16018 0.16105 0.16216 0.16840 0.18999 0.21323 0.22025 0.22684 0.25046 0.25735 0.33613 0.33742 0.34494 0.34512 0.34669 0.35251 0.35422 0.35487 0.35506 0.35527 0.36157 0.36957 0.37026 0.38756 0.39638 0.39909 0.42366 0.45365 0.46637 0.47467 0.47582 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 -1.79879095e-07 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 2.05068 2.62852 2.62935 2.64456 2.05305 2.62945 2.05169 2.65972 2.96913 2.63836 2.05021 2.70849 3.26741 3.70918 2.54827 2.54279 2.05751 2.06723 2.08057 2.76785 2.08078 2.06674 2.06365 2.75423 3.49556 1.49434 2.09879 2.10006 2.08421 2.12056 2.08350 2.07903 2.09845 2.09776 2.08697 2.06583 2.07083 2.14518 2.09871 2.08696 2.09749 2.09828 2.05440 2.12960 1.77614 1.49500 2.12821 2.07320 1.70696 1.58793 1.60529 1.99095 2.00488 1.89225 1.90346 1.92032 1.89661 1.90370 1.94658 1.87995 1.89942 1.97624 1.89483 1.89553 1.91607 1.98088 2.01741 1.64026 1.94402 1.91380 1.94517 1.75075 2.78823 3.22666 -3.13658 0.01965 0.02143 -3.10553 -3.13549 0.00599 -0.01033 3.13115 -0.01025 -3.09784 3.11674 0.02915 -0.01161 3.13689 3.13010 -0.00459 -0.01192 -3.10879 3.07322 -0.02365 2.33188 2.63607 -2.08291 0.62628 -0.75311 -0.44892 1.11529 -2.45871 0.02285 3.11774 -3.12569 -0.03080 -1.47047 2.53564 0.50951 1.71671 -0.56037 -2.58650 0.63653 -1.49075 2.72516 0.86926 -3.10079 -0.93939 2.94281 -1.02724 1.13416 -1.24541 1.06773 -3.05406 1.30194 -0.99267 -3.13618 -2.89394 1.09464 -1.04888 -0.82465 -3.11926 1.02041 -0.70283 1.33386 -2.78861 0.00000 0.00002 -0.00004 0.00004 -0.00000 -0.00004 0.00000 -0.00007 -0.00005 0.00001 0.00000 0.00000 0.00919 0.00152 -0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00475 -0.00671 0.00004 -0.00003 -0.00001 0.00001 -0.00000 -0.00001 -0.00001 0.00001 0.00001 -0.00002 -0.00005 0.00008 0.00003 -0.00001 -0.00002 -0.00000 0.00020 -0.00020 -0.00061 0.00087 0.00002 -0.00009 -0.00015 0.00089 0.00023 -0.00107 0.00005 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00006 -0.00007 0.00020 0.00008 0.00011 -0.00026 -0.00181 0.00200 -0.00231 -0.00004 -0.00003 -0.00006 -0.00005 0.00001 0.00001 0.00003 0.00003 0.00001 -0.00007 0.00000 -0.00008 0.00004 -0.00000 0.00004 -0.00000 0.00006 -0.00001 0.00014 0.00007 0.00064 -0.00079 0.00002 -0.00003 0.00055 -0.00088 -0.00007 -0.00012 -0.00009 -0.00000 -0.00004 0.00004 0.00017 0.00018 0.00038 0.00009 0.00010 0.00031 0.00003 0.00003 0.00016 0.00012 0.00004 -0.00015 0.00012 0.00004 -0.00015 0.00012 0.00004 -0.00015 -0.00004 0.00003 0.00001 -0.00004 0.00003 0.00001 -0.00004 0.00003 0.00001 -0.00004 0.00001 0.00002 -0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 -0.00003 -0.00001 0.00000 -0.00000 -0.00000 0.00006 0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00003 -0.00000 -0.00000 -0.00000 0.00002 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00002 -0.00000 0.00002 0.00001 0.00001 -0.00002 0.00002 0.00000 -0.00002 -0.00000 -0.00001 0.00001 -0.00001 -0.00003 0.00005 0.00009 0.00006 -0.00001 0.00004 0.00003 -0.00016 0.00008 -0.00017 -0.00002 0.00000 0.00002 -0.00002 0.00002 -0.00002 -0.00001 0.00002 -0.00000 -0.00001 0.00000 -0.00000 -0.00001 -0.00008 -0.00002 0.00007 -0.00001 -0.00001 0.00007 -0.00009 -0.00004 0.00014 0.00002 0.00003 0.00002 0.00003 -0.00002 -0.00002 -0.00002 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00002 0.00000 -0.00001 -0.00001 -0.00005 -0.00001 -0.00005 0.00005 0.00002 0.00015 0.00017 0.00005 0.00002 0.00015 0.00017 0.00001 0.00005 0.00003 0.00006 0.00006 0.00017 0.00006 0.00002 0.00013 0.00002 -0.00001 0.00001 0.00004 0.00042 0.00031 0.00038 0.00040 0.00029 0.00036 0.00040 0.00030 0.00037 0.00009 0.00023 0.00020 0.00011 0.00025 0.00022 0.00010 0.00024 0.00022 -0.00001 -0.00007 -0.00005 0.00000 -0.00001 0.00001 0.00002 -0.00000 -0.00002 0.00000 -0.00003 0.00005 0.00001 -0.00000 0.00001 0.00000 -0.00003 -0.00002 0.00002 -0.00000 0.00000 -0.00000 -0.00002 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00002 -0.00004 0.00001 -0.00002 0.00002 0.00000 0.00000 -0.00002 0.00001 -0.00001 -0.00005 0.00006 -0.00003 0.00003 -0.00000 0.00003 -0.00001 -0.00002 -0.00006 -0.00007 0.00006 -0.00009 0.00002 0.00005 0.00005 0.00004 0.00003 -0.00002 -0.00002 0.00002 -0.00001 0.00000 0.00002 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00003 -0.00001 -0.00003 0.00001 0.00002 -0.00002 0.00005 0.00007 -0.00003 -0.00002 -0.00001 -0.00002 -0.00001 -0.00000 0.00001 0.00000 0.00001 0.00002 0.00002 0.00001 0.00001 0.00001 0.00001 0.00000 -0.00001 -0.00000 0.00002 -0.00000 0.00002 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00002 -0.00000 -0.00001 -0.00001 -0.00004 -0.00000 -0.00004 -0.00004 -0.00007 -0.00003 -0.00001 -0.00004 0.00000 0.00000 -0.00006 -0.00012 0.00001 0.00003 0.00002 -0.00000 0.00002 0.00001 -0.00000 0.00002 0.00001 0.00008 0.00004 0.00003 0.00009 0.00004 0.00003 0.00009 0.00004 0.00003 -0.00001 0.00002 0.00002 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00000 -0.00003 0.00002 0.00000 0.00000 0.00001 -0.00000 0.00003 -0.00001 0.00003 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 0.00001 -0.00002 0.00001 -0.00003 0.00002 0.00002 0.00001 -0.00000 -0.00001 0.00002 -0.00005 0.00003 -0.00003 0.00002 0.00001 0.00002 -0.00005 0.00003 0.00003 -0.00000 0.00005 -0.00005 0.00005 -0.00011 0.00013 -0.00013 0.00001 -0.00002 0.00001 0.00000 0.00001 -0.00002 0.00002 0.00003 -0.00001 -0.00001 0.00000 -0.00001 -0.00001 -0.00004 -0.00003 0.00004 -0.00001 0.00001 0.00005 -0.00004 0.00003 0.00011 0.00001 0.00002 0.00000 0.00002 -0.00002 -0.00001 -0.00002 -0.00001 0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00002 -0.00001 -0.00002 -0.00002 -0.00002 0.00004 0.00000 0.00015 0.00016 0.00004 0.00000 0.00015 0.00016 0.00000 0.00001 0.00002 0.00003 0.00002 0.00010 0.00003 0.00001 0.00009 0.00003 -0.00001 -0.00005 -0.00009 0.00042 0.00034 0.00040 0.00039 0.00031 0.00037 0.00040 0.00032 0.00038 0.00017 0.00027 0.00023 0.00020 0.00029 0.00025 0.00019 0.00029 0.00025 -0.00003 -0.00006 -0.00003 2.05068 2.62853 2.62936 2.64457 2.05304 2.62944 2.05169 2.65968 2.96915 2.63837 2.05021 2.70850 3.26741 3.70921 2.54826 2.54283 2.05751 2.06723 2.08057 2.76785 2.08078 2.06673 2.06365 2.75425 3.49556 1.49434 2.09880 2.10004 2.08423 2.12053 2.08352 2.07905 2.09846 2.09776 2.08697 2.06585 2.07078 2.14521 2.09869 2.08698 2.09750 2.09830 2.05435 2.12963 1.77617 1.49500 2.12826 2.07315 1.70701 1.58782 1.60541 1.99082 2.00489 1.89223 1.90347 1.92032 1.89662 1.90368 1.94660 1.87998 1.89941 1.97622 1.89483 1.89552 1.91606 1.98084 2.01739 1.64029 1.94401 1.91381 1.94522 1.75072 2.78827 3.22677 -3.13657 0.01967 0.02143 -3.10551 -3.13551 0.00597 -0.01034 3.13115 -0.01024 -3.09783 3.11674 0.02915 -0.01159 3.13688 3.13011 -0.00460 -0.01194 -3.10881 3.07321 -0.02367 2.33193 2.63607 -2.08276 0.62645 -0.75306 -0.44892 1.11544 -2.45855 0.02285 3.11775 -3.12567 -0.03077 -1.47045 2.53574 0.50955 1.71672 -0.56028 -2.58648 0.63653 -1.49080 2.72507 0.86968 -3.10045 -0.93899 2.94320 -1.02693 1.13453 -1.24501 1.06805 -3.05368 1.30211 -0.99240 -3.13595 -2.89374 1.09493 -1.04862 -0.82446 -3.11897 1.02066 -0.70286 1.33380 -2.78863 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000015 0.000003 0.000695 0.000138 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -6.620526e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 1 2 2 3 3 4 4 5 5 7 7 9 11 11 11 11 12 12 12 12 16 16 16 16 20 21 2 3 4 5 6 7 8 9 11 9 10 20 21 22 23 24 13 14 15 20 17 18 19 20 22 22 1.0852 1.391 1.3914 1.3994 1.0864 1.3914 1.0857 1.4075 1.5712 1.3962 1.0849 1.4333 1.729 1.9628 1.3485 1.3456 1.0888 1.0939 1.101 1.4647 1.1011 1.0937 1.092 1.4575 1.8498 0.7908 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0092|-DE/DX = 0.0015|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0047|-DE/DX = -0.0067 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 1 1 3 2 2 5 2 2 7 3 3 9 4 4 9 5 5 7 5 5 5 5 21 21 22 22 23 13 13 13 14 14 15 17 17 17 18 18 19 9 9 9 12 12 16 11 2 2 2 3 3 3 4 4 4 5 5 5 7 7 7 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 16 16 16 16 16 16 20 20 20 20 20 20 22 3 4 4 5 6 6 7 8 8 9 11 11 9 10 10 7 20 20 21 22 23 24 23 24 23 24 24 14 15 20 15 20 20 18 19 20 19 20 20 12 16 22 16 22 22 20 120.2518 120.3248 119.4167 121.4992 119.3759 119.1196 120.2322 120.193 119.5748 118.3635 118.6498 122.9098 120.2475 119.5742 120.1771 120.2228 117.7082 122.0173 101.7653 85.6572 121.9374 118.7856 97.8018 90.9815 91.9761 114.0729 114.8711 108.4179 109.0602 110.0261 108.6678 109.0738 111.5308 107.713 108.8286 113.2299 108.5655 108.6058 109.7826 113.4962 115.5892 93.9799 111.384 109.6528 111.4503 100.3107 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0002|-DE/DX = -0.0002|-DE/DX = -0.0006|-DE/DX = 0.0009|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = -0.0002|-DE/DX = 0.0009|-DE/DX = 0.0002|-DE/DX = -0.0011|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0002|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = -0.0003|-DE/DX = -0.0018 A47 20 22 21 1 -1 159.754 -DE/DX|=|0.002 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 1 1 4 4 1 1 3 3 2 2 6 6 2 2 8 8 3 3 11 11 3 3 3 3 9 9 9 9 4 4 10 10 5 5 5 7 7 7 5 23 24 13 13 13 14 14 14 15 15 15 17 17 17 18 18 18 19 19 19 9 12 2 2 2 2 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 7 7 7 7 9 9 9 9 9 9 11 11 11 12 12 12 12 12 12 12 12 12 16 16 16 16 16 16 16 16 16 20 20 3 3 3 3 4 4 4 4 5 5 5 5 7 7 7 7 9 9 9 9 11 11 11 11 11 11 11 11 9 9 9 9 20 20 20 20 20 20 22 22 22 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 22 22 5 6 5 6 7 8 7 8 9 11 9 11 9 10 9 10 7 20 7 20 21 22 23 24 21 22 23 24 5 20 5 20 12 16 22 12 16 22 20 20 20 9 16 22 9 16 22 9 16 22 9 12 22 9 12 22 9 12 22 11 11 -179.7127 1.1259 1.2276 -177.9337 -179.6505 0.343 -0.5916 179.4019 -0.5871 -177.4932 178.5763 1.6703 -0.665 179.7307 179.3415 -0.2628 -0.683 -178.1205 176.0827 -1.3548 133.6071 151.0357 -119.3418 35.8833 -43.1498 -25.7213 63.9012 -140.8736 1.3091 178.6333 -179.089 -1.7647 -84.2515 145.2817 29.1929 98.36 -32.1069 -148.1956 36.4708 -85.4139 156.1401 49.8048 -177.6622 -53.8231 168.6105 -58.8565 64.9826 -71.3566 61.1763 -174.9846 74.5959 -56.8757 -179.6899 -165.8105 62.718 -60.0962 -47.2489 -178.7205 58.4654 -40.2693 76.4243 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0006|-DE/DX = -0.0008|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0006|-DE/DX = -0.0009|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0002|-DE/DX = 0.0002|-DE/DX = 0.0004|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0003|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0002|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = -0.0002|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = -0.0002|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = -0.0002|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 (5D, 7F) 1 1 No pseudopotential on this center. 2 6 No pseudopotential on this center. 3 6 No pseudopotential on this center. 4 6 No pseudopotential on this center. 5 6 No pseudopotential on this center. 6 1 No pseudopotential on this center. 7 6 No pseudopotential on this center. 8 1 No pseudopotential on this center. 9 6 No pseudopotential on this center. 10 1 No pseudopotential on this center. 11 5 No pseudopotential on this center. 12 6 No pseudopotential on this center. 13 1 No pseudopotential on this center. 14 1 No pseudopotential on this center. 15 1 No pseudopotential on this center. 16 6 No pseudopotential on this center. 17 1 No pseudopotential on this center. 18 1 No pseudopotential on this center. 19 1 No pseudopotential on this center. 20 7 No pseudopotential on this center. 21 1 No pseudopotential on this center. 22 1 No pseudopotential on this center. 23 9 No pseudopotential on this center. 24 9 No pseudopotential on this center. 24 24 24 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 158.90010639999997 AuxInfo=1/0/N:12,16,2,4,3,7,5,9,11,23,24,20;21;22/E:(1,2)(10,11);;/CRV:3.3,4.3,5.3,6.3,7.3,8.3;;/rA:24nHC3C3C3C3HC3HC3HBCHHHCHHHNH0H0FF/rB:s1;s2;s2;s3;s3;s4;s4;s5s7;s7;s5;;s12;s12;s12;;s16;s16;s16;s9s12s16;;;s11;s11;/rC:.3242,.4615,.1237;1.4011,.3389,.1297;2.2246,1.4333,-.0919;1.9637,-.9086,.3716;3.6198,1.311,-.0982;1.7755,2.407,-.2569;3.3437,-1.0532,.3797;1.3295,-1.7691,.553;4.1717,.0407,.1352;3.7805,-2.0274,.5685;4.4847,2.5967,-.3776;6.1246,-.6078,-1.1319;5.716,-.0299,-1.96;7.2125,-.506,-1.1397;5.8683,-1.668,-1.279;6.1425,-.8242,1.279;5.936,-1.9034,1.2418;7.2267,-.6899,1.2991;5.7248,-.4186,2.202;5.6025,-.0967,.1352;5.873,2.4677,.6449;5.9042,1.6982,.4656;5.1403,2.756,-1.6723;4.0864,3.8483,.2599; 0.000000 1.083910 0.000000 2.145318 1.387374 0.000000 2.150910 1.389696 2.401523 0.000000 3.410579 2.432981 1.400596 2.808931 0.000000 2.456862 2.136903 1.084825 3.379817 2.151175 0.000000 3.387762 2.402897 2.767210 1.387557 2.427795 3.851868 0.000000 2.483999 2.151287 3.387089 1.084246 3.893165 4.277169 2.144636 0.000000 3.870492 2.786602 2.404660 2.415041 1.404590 3.390383 1.393569 3.395317 0.000000 4.282335 3.384305 3.851463 2.142742 3.408186 4.936087 1.084260 2.464618 2.148953 0.000000 4.703199 3.855262 2.557958 4.382197 1.574488 2.718446 3.898352 5.466380 2.625671 4.772190 0.000000 6.030361 4.979907 4.523090 4.434472 3.320366 5.363692 3.196442 5.213559 2.416641 3.225226 3.677989 0.000000 5.801298 4.808424 4.221459 4.504271 3.107806 4.936177 3.485626 5.346216 2.603822 3.759037 3.304414 1.089390 0.000000 7.069762 6.008127 5.453300 5.476907 4.158608 6.231009 4.192401 6.250693 3.342279 4.124563 4.201050 1.092688 1.771803 0.000000 6.102386 5.095821 4.929867 4.306619 3.914627 5.865159 3.082683 4.895651 2.792451 2.810980 4.573212 1.100542 1.780560 1.782289 0.000000 6.069635 5.015424 4.725041 4.277056 3.580491 5.645335 2.948696 4.958344 2.437268 2.744428 4.146720 2.420729 3.362203 2.663916 2.707503 0.000000 6.191552 5.179774 5.165989 4.186449 4.182491 6.175365 2.861188 4.659667 2.849010 2.261637 4.998020 2.710912 3.716278 3.042064 2.532702 1.099469 0.000000 7.095905 6.030200 5.609299 5.348607 4.354975 6.459629 4.006915 6.041410 3.349811 3.768207 4.596920 2.670433 3.652362 2.445746 3.073819 1.092672 1.772560 0.000000 5.853182 4.854066 4.576323 4.211434 3.565542 5.442984 3.064807 4.884809 2.625687 3.006131 4.157378 3.363129 4.180117 3.658932 3.701151 1.091251 1.780811 1.773311 0.000000 5.307747 4.223888 3.715218 3.735774 2.442789 4.589944 2.465161 4.607618 1.437351 2.689865 2.960892 1.462744 2.099399 2.094086 2.130615 1.459160 2.144801 2.084351 2.095219 0.000000 5.923327 4.979427 3.863150 5.172694 2.639502 4.195966 4.343342 6.213075 3.007411 4.958919 1.729041 3.560824 3.612228 3.717805 4.561258 3.363226 4.412170 3.497264 3.282833 2.628510 0.000000 5.725601 4.715692 3.731023 4.725613 2.384562 4.250899 3.759462 5.740835 2.420282 4.289617 1.879743 2.813978 2.984185 3.024434 3.791532 2.660937 3.684425 2.854196 2.743630 1.849769 0.790770 0.000000 5.629014 4.803230 3.570547 5.262874 2.622564 3.667007 4.684965 6.320698 3.402712 5.454556 1.460000 3.546319 2.859247 3.901090 4.500691 4.746863 5.553018 5.005648 5.042783 3.408633 2.447342 2.504687 0.000000 5.063932 4.420796 3.069611 5.210238 2.604583 2.772125 4.958929 6.264320 3.810647 5.891825 1.460000 5.094030 4.756485 5.540028 5.997736 5.205645 6.121129 5.615782 4.966126 4.228163 2.290494 2.823118 2.457116 0.000000 1.0025022 0.8549374 0.5490060 -10.31979 -10.30622 -10.30542 -10.30308 -10.30095 -10.29231 -6.97093 -1.26337 -1.24286 -1.05096 -0.95539 -0.85566 -0.84937 -0.81589 -0.75256 -0.71631 -0.67850 -0.64214 -0.61193 -0.59365 -0.56839 -0.56356 -0.55093 -0.54589 -0.53472 -0.52827 -0.51521 -0.48829 -0.48424 -0.47936 -0.47355 -0.46702 -0.46337 -0.45934 -0.45105 -0.43044 -0.41358 -0.33665 -0.33494 -0.31167 0.04641 0.06137 0.11760 0.16227 0.16851 0.19359 0.20922 0.22020 0.22137 0.23497 0.23986 0.24470 0.25462 0.26682 0.27619 0.28759 0.30111 0.31788 0.33745 0.34515 0.36435 0.39448 0.41728 0.42762 0.45092 0.52764 0.53613 0.54131 0.56542 0.58926 0.59620 0.60495 0.61965 0.63651 0.64609 0.65763 0.68892 0.69381 0.69640 0.70389 0.70643 0.71688 0.73976 0.76101 0.77677 0.79283 0.80655 0.84237 0.87554 0.89389 0.90046 0.91171 0.91980 0.92985 0.93711 0.95814 0.97127 0.97936 0.98699 1.01356 1.01908 1.03087 1.04771 1.05675 1.08459 1.11334 1.13054 1.13694 1.19156 1.20473 1.24026 1.26986 1.28693 1.29848 1.29934 1.31642 1.32873 1.37857 1.41256 1.41543 1.42342 1.42800 1.44056 1.45055 1.48117 1.49237 1.50818 1.53247 1.53967 1.57443 1.57711 1.59982 1.62289 1.66286 1.70412 1.75393 1.79261 1.81070 1.82754 1.86887 1.87481 1.91843 1.93678 1.95665 1.96406 1.97219 1.97602 1.99114 1.99816 2.01006 2.02284 2.04413 2.05746 2.05894 2.07371 2.08802 2.10592 2.11824 2.12076 2.12762 2.14189 2.16551 2.17245 2.19023 2.19638 2.20921 2.22193 2.25511 2.29356 2.31103 2.33613 2.36511 2.37249 2.39450 2.43979 2.45194 2.46691 2.47081 2.48065 2.48875 2.51101 2.54400 2.55258 2.57215 2.61037 2.63169 2.64427 2.66517 2.66927 2.68772 2.70044 2.72417 2.73267 2.74218 2.77503 2.80409 2.82530 2.84297 2.86052 2.87609 2.88157 2.94760 2.96811 3.00876 3.02652 3.04573 3.09973 3.10994 3.14462 3.17201 3.28336 3.30492 3.31807 3.33761 3.42350 3.44642 3.50357 3.50834 3.55903 3.57781 3.60727 3.97148 4.10677 41 42 43 44 45 46 47 48 49 50 O|O|O|O|O|V|V|V|V|V -0.43044 -0.41358 -0.33665 -0.33494 -0.31167 0.04641 0.06137 0.11760 0.16227 0.16851 -0.14517 -0.06219 -0.00612 -0.00141 -0.00501 0.00258 0.00132 0.01646 -0.03796 0.02945 -0.14175 -0.06493 -0.00594 -0.00244 -0.00398 0.00793 0.00656 0.10057 -0.35711 0.36618 -0.00350 -0.00095 -0.00013 -0.00005 0.00010 -0.00021 -0.00020 -0.00080 0.00249 -0.00254 -0.00126 0.00318 -0.00096 -0.00048 0.00111 -0.00124 -0.00218 -0.00091 -0.00157 0.00157 0.00030 -0.00027 -0.00600 -0.00351 0.00418 -0.00565 -0.01028 0.00496 -0.00030 0.00004 -0.00250 -0.00997 -0.00058 -0.00004 -0.00021 0.00340 0.00074 0.01650 -0.02494 0.00980 0.00999 0.02279 0.00109 0.00121 -0.00044 -0.00464 -0.00221 -0.03237 0.05096 -0.01656 0.17889 0.11645 0.00524 0.00038 0.01066 -0.00781 -0.00536 -0.01459 -0.03242 0.08656 -0.13862 0.17351 -0.02812 -0.02021 0.06198 -0.03908 -0.05444 -0.02044 -0.00247 0.02362 0.02405 -0.01750 -0.24374 -0.14303 0.16100 -0.15805 -0.27593 0.11636 -0.01034 0.00101 -0.01177 0.04384 0.00366 -0.00948 0.00596 -0.04270 -0.01297 -0.18005 0.19058 -0.14274 0.06250 0.04949 0.00523 -0.00499 0.01180 -0.02085 -0.00613 -0.01182 -0.17808 0.18712 -0.05445 0.08264 -0.02173 -0.02212 0.04209 -0.06325 -0.07285 -0.03113 0.06556 0.05857 0.00960 -0.00212 -0.17419 -0.10226 0.12233 -0.21882 -0.38348 0.17076 -0.02559 0.00460 0.00219 0.00108 0.00294 -0.00530 -0.00047 0.00825 -0.00580 -0.00273 0.00341 -0.00308 0.00077 -0.00041 -0.00652 -0.00159 0.00285 0.00070 0.00905 -0.00439 -0.00022 0.00077 -0.00275 -0.00085 -0.00808 0.01543 0.00119 -0.02263 0.01563 0.00549 -0.00089 0.00251 -0.01818 -0.00517 0.00070 -0.00322 -0.00075 0.00533 -0.00257 0.00259 -0.00984 0.01098 -0.00225 0.00677 -0.00001 0.00029 0.00275 -0.00022 0.00243 0.00215 0.00513 -0.00607 0.00352 0.00747 -0.00102 -0.00124 -0.00229 -0.00617 -0.00221 -0.02720 -0.00033 0.04631 -0.01284 -0.01515 0.00146 0.00323 0.00436 0.01226 0.00491 0.05550 -0.00996 -0.09641 -0.20660 -0.14903 -0.01118 0.00448 0.00097 0.01517 0.01291 0.07461 -0.03851 -0.01768 0.12388 -0.14596 -0.06465 0.02626 -0.00660 -0.02664 0.05841 -0.00401 0.01005 -0.06788 -0.01819 0.04313 -0.25668 0.17162 0.10147 -0.17631 0.30980 -0.02700 0.00921 0.01798 0.00379 -0.03949 -0.00038 0.01959 0.00384 0.08747 0.00814 0.27547 0.15177 -0.51712 -0.08302 -0.04915 -0.00390 -0.00204 0.00721 0.00329 0.01441 0.07443 0.09228 0.11069 0.04237 -0.02984 -0.03813 0.01422 0.00684 -0.04811 0.07459 -0.04628 -0.00774 -0.16572 -0.00727 0.00755 -0.18731 0.12709 0.07253 -0.20743 0.43252 -0.00919 0.01197 0.02082 -0.00113 0.00116 -0.00247 -0.00181 0.00195 -0.00312 -0.00434 0.00317 -0.00158 -0.00512 0.00173 -0.00337 0.00363 0.01589 -0.00810 0.02316 0.00869 -0.00829 -0.00099 -0.00050 -0.00322 -0.00075 0.00748 0.00292 -0.00479 0.00702 0.01220 -0.00105 0.00086 -0.00348 -0.01604 0.00052 -0.00102 0.00007 0.00192 -0.00087 -0.00240 -0.00058 0.00519 -0.00760 -0.00814 0.01668 0.00350 0.00441 0.00261 0.00360 0.00120 -0.01214 0.00669 -0.00227 -0.00517 -0.00283 0.00391 0.00172 0.00706 0.00072 0.00125 0.00408 -0.00165 0.03130 0.01085 0.00278 -0.00829 -0.00379 -0.01617 -0.00214 -0.00342 -0.00667 -0.01056 -0.04911 -0.17878 -0.03013 -0.02770 -0.01450 -0.04043 0.00155 -0.00217 -0.00899 -0.07038 0.04468 0.15160 -0.10251 -0.01159 -0.06966 -0.01179 0.06539 -0.00982 -0.02298 -0.04088 0.07371 -0.03064 0.03718 0.01624 -0.31322 0.05026 0.32018 -0.04120 -0.11479 0.01848 -0.02963 0.00885 0.02355 -0.02225 -0.00990 -0.03322 -0.01042 -0.00661 -0.06514 0.21107 -0.50874 -0.06974 -0.00881 -0.02272 -0.00855 -0.02918 0.00467 -0.00568 -0.04586 -0.07293 0.07574 0.04970 -0.04085 -0.00302 -0.04862 -0.00270 0.08626 -0.00284 -0.02216 0.03995 0.16498 -0.01094 0.01757 0.00941 -0.22419 0.03615 0.42815 -0.05984 -0.18787 -0.00021 -0.06153 0.00056 -0.00118 0.00279 0.00164 -0.00241 0.00258 0.00501 -0.00196 -0.00069 -0.00243 0.00071 -0.00230 0.01284 -0.00526 -0.00888 -0.00280 0.02444 -0.00029 0.00230 -0.00212 -0.00186 -0.00076 -0.00932 -0.00451 0.00599 -0.00730 -0.01571 0.00512 -0.00037 -0.00244 -0.00973 -0.00412 0.00162 0.00066 -0.00168 0.00192 0.00374 0.00064 0.00251 -0.00672 -0.00347 0.01203 0.00601 0.00024 0.00400 -0.00037 0.00539 0.00027 -0.01140 0.01527 -0.00119 -0.02422 0.00527 0.00046 0.00899 0.00305 0.00169 0.01528 -0.00695 0.01388 -0.00123 0.03516 -0.01215 -0.00347 -0.02225 -0.00400 -0.00348 -0.01119 0.03687 -0.03051 0.22804 0.18527 -0.00314 0.00464 -0.01562 -0.00521 -0.00355 -0.03244 0.00622 -0.02406 -0.11347 0.25566 0.04841 0.08824 0.07258 0.05789 0.00177 -0.06636 0.00303 -0.00887 0.01470 -0.04656 -0.03709 0.31964 -0.10064 0.30616 -0.02524 -0.10487 -0.00055 -0.00548 0.02471 0.19189 -0.02549 0.00941 -0.03265 -0.01966 -0.00837 -0.19044 -0.17756 -0.06791 0.07532 0.08872 -0.00764 0.01872 -0.00833 0.03801 -0.00827 0.03700 0.11527 -0.02022 -0.05319 0.09259 0.03221 0.04208 0.05883 -0.01740 0.02143 -0.23356 0.17204 0.06025 0.00850 -0.01160 -0.02053 0.22070 -0.07964 0.38612 -0.05384 -0.12421 -0.03676 -0.02397 0.00003 0.00046 0.00256 0.00164 -0.00237 -0.00568 -0.00523 -0.00428 0.00161 -0.00281 0.00070 -0.00222 0.01302 -0.00454 -0.00678 0.00743 -0.02534 0.00292 0.00172 -0.00014 -0.00103 -0.00087 -0.00976 -0.00474 0.00447 0.01417 0.01719 0.00874 -0.00120 -0.00538 -0.00917 -0.00267 0.00168 0.00099 -0.00142 0.00091 -0.00181 0.02089 -0.00922 -0.02468 -0.00351 0.01285 0.00456 0.00034 0.00224 0.00343 -0.00342 0.01207 -0.00792 0.00902 0.14570 -0.07715 -0.01295 -0.00390 -0.02123 0.00455 0.00186 0.01976 -0.02071 0.02594 0.13815 -0.08941 -0.01727 -0.01064 -0.02984 -0.00873 0.00353 0.03584 -0.08392 0.50718 -0.00033 -0.00385 -0.00037 0.00012 -0.00020 -0.00007 0.00026 -0.00155 0.00070 0.00032 -0.00393 0.00020 -0.00100 0.00082 0.00059 -0.00121 0.00184 -0.00193 -0.00041 0.00419 0.00060 0.00042 -0.00638 0.00410 0.00239 -0.00593 0.01147 0.00048 0.00050 -0.00064 0.00593 -0.00257 -0.00979 -0.00396 -0.01654 -0.00261 -0.00230 -0.01595 -0.03934 0.03543 -0.02045 0.00601 0.01922 0.00737 0.03306 0.00495 0.00474 0.03119 0.10130 -0.05093 0.16146 0.06415 0.05163 0.01524 0.07075 0.00352 0.01113 0.02837 0.06299 -0.04284 -0.10625 0.12966 0.10444 -0.01404 0.06293 -0.01434 0.07168 0.01825 -0.11799 0.09798 0.01516 -0.02074 0.24184 -0.17919 -0.14639 -0.11839 0.31062 0.05216 0.01812 -0.00054 0.04035 0.03205 0.05996 0.02446 0.09668 0.02807 0.01807 0.21191 0.28891 -0.51448 0.06514 0.03326 0.01652 0.00372 0.03093 -0.00372 0.00743 0.00762 0.07370 -0.28603 -0.00016 0.06974 0.07123 -0.00625 0.04575 0.00085 0.08898 0.03382 -0.51586 0.24878 -0.00327 -0.01009 0.17763 -0.13566 -0.11315 -0.17704 0.43834 0.08596 0.11526 -0.01874 -0.00121 0.00044 -0.00269 -0.00135 0.00273 0.00373 0.00524 -0.00154 0.00229 -0.00430 0.00199 -0.00280 0.00492 0.01517 -0.00527 -0.02536 -0.00671 0.00987 -0.00195 0.00278 -0.00320 0.00093 0.00768 0.00260 -0.00482 -0.00811 -0.01249 0.00155 -0.00113 -0.00509 -0.01245 0.00471 -0.00246 -0.00080 -0.00101 0.00056 0.00272 0.00025 -0.00339 -0.01507 -0.00846 0.00967 0.00302 0.00403 0.00122 -0.00513 -0.00210 0.00188 0.00709 -0.01105 -0.00881 0.08969 0.02121 0.00838 0.03142 0.00094 0.00287 -0.00031 -0.02478 0.04997 -0.01189 0.08948 0.02487 0.01027 0.03994 0.00488 0.01107 0.00917 -0.22524 0.55994 -0.00308 0.00172 -0.00007 -0.00015 -0.00030 -0.00006 -0.00007 -0.00075 0.00109 -0.00106 0.00203 0.00109 0.00040 -0.00144 0.00074 0.00249 -0.00032 -0.00050 0.00173 -0.00388 -0.00042 0.00015 0.00030 -0.00787 0.00107 0.01168 -0.00152 -0.00483 0.00014 0.00016 -0.00179 0.00382 0.00581 0.00429 0.01022 0.00514 0.00141 0.02113 -0.02038 -0.00264 0.00251 -0.01050 -0.01387 -0.00853 -0.02126 -0.00397 -0.00373 -0.03563 0.05299 0.02030 -0.15015 -0.01239 -0.03895 -0.01516 -0.07604 -0.00897 -0.00471 0.01068 -0.00430 -0.08343 0.14102 -0.18052 0.00620 0.00877 -0.09651 -0.05796 -0.06533 -0.04431 0.02263 0.04192 -0.03185 0.02895 0.26468 0.15875 -0.12886 -0.21809 -0.30060 0.05859 -0.02287 -0.01495 -0.01886 -0.04448 -0.00632 -0.03638 -0.02742 -0.12033 0.02667 -0.29797 0.38702 0.05235 0.01761 0.05502 -0.00087 0.00714 -0.01777 0.03517 -0.00944 0.06793 -0.26733 -0.12693 0.07007 -0.06237 0.03815 0.01459 -0.00649 -0.08659 -0.06916 -0.04388 0.02348 -0.03472 -0.01986 0.00912 0.16987 0.11725 -0.10739 -0.23855 -0.38304 0.05892 -0.01591 0.00106 0.00414 0.00107 0.00371 -0.00548 -0.00099 -0.00785 0.00506 0.00015 -0.00405 -0.00556 0.00082 -0.00276 -0.00712 -0.00218 0.00560 -0.00267 -0.01031 0.00170 -0.00006 0.00014 -0.00286 -0.00164 -0.00838 0.01735 0.00028 0.02172 -0.01676 -0.01267 -0.00233 0.00137 -0.01911 -0.00690 0.00229 -0.00296 0.00178 -0.00288 0.00352 0.00236 -0.00579 0.02399 -0.00124 0.00595 0.01059 0.00509 0.02380 0.00303 -0.00056 0.00453 0.00441 -0.00328 0.12138 -0.07711 -0.00982 -0.00384 -0.01473 -0.00031 -0.00166 -0.00290 -0.00432 0.06879 0.13797 -0.07878 -0.01133 -0.00010 -0.00775 0.01902 -0.00969 -0.09297 -0.72297 0.73511 0.00056 0.00207 0.00107 0.00020 0.00136 -0.00024 0.00068 -0.00034 -0.00769 0.00091 0.00316 -0.00074 0.00139 -0.00078 -0.00045 -0.00069 0.00250 0.00127 0.00244 -0.00438 -0.00069 0.00026 0.00620 -0.00438 -0.00316 -0.00421 0.01231 0.00212 -0.00008 0.00176 -0.00530 -0.05745 -0.00350 -0.00335 -0.00239 -0.01388 -0.00208 -0.07697 0.00856 -0.06005 0.01154 0.12433 0.00916 0.00707 0.01009 0.01452 0.00013 0.08004 -0.02018 0.08100 0.00384 -0.10286 -0.03512 0.00188 -0.06197 0.11423 0.01942 0.47014 -0.11070 -0.09945 -0.01874 -0.20290 -0.01476 -0.00845 -0.02019 -0.00822 -0.01188 -0.10777 0.07318 0.07256 0.01194 0.06009 -0.01093 0.02550 -0.02867 0.17200 0.00392 0.25828 -0.04209 0.01986 0.01593 0.07338 0.00429 0.00880 -0.01669 0.13881 0.00805 0.66270 -0.16633 0.31370 0.00385 0.03783 0.00025 -0.00621 0.01440 0.04077 0.06555 0.44404 -0.10448 -0.15771 0.00533 0.04731 -0.00620 0.00549 0.00518 -0.02505 -0.00206 -0.20405 0.14324 0.25702 0.00514 0.00079 -0.01044 0.03430 -0.01371 0.19636 0.02440 0.26880 -0.01224 0.00372 -0.00072 -0.01322 -0.00142 0.00595 -0.00389 0.01080 -0.00257 -0.00374 0.00127 0.00481 -0.00039 0.00393 -0.00185 -0.00976 -0.00527 -0.01060 -0.00383 0.01611 0.00354 0.01242 -0.00199 -0.01481 0.00129 -0.01062 0.00486 -0.01915 0.00291 -0.00232 0.00104 0.00256 -0.00872 -0.00746 -0.00237 -0.00030 -0.00557 0.00312 -0.00241 -0.00103 0.00938 0.02121 0.00000 0.01881 0.00233 0.00001 0.00269 -0.00241 -0.00197 -0.00737 0.00741 0.01269 -0.00419 -0.00387 -0.00738 -0.00565 0.01681 0.01265 0.02129 -0.00527 -0.05676 -0.00198 0.01168 0.00868 0.01815 0.01187 -0.03816 -0.03149 -0.04239 0.01086 0.07552 0.02077 -0.10394 -0.00099 -0.07368 -0.03613 0.01134 0.02667 0.02940 0.02671 0.07508 0.03449 0.03627 0.06294 -0.04431 0.00741 -0.10318 0.00224 -0.04968 -0.01702 -0.08548 0.03781 0.01488 0.01128 0.02700 0.01631 -0.05678 -0.04737 -0.05272 -0.00780 -0.08028 -0.05808 0.00683 0.01236 0.03844 0.03133 -0.05554 -0.06930 -0.19093 0.09187 0.90125 -0.00306 -0.05150 -0.00200 -0.02036 -0.02057 -0.00102 -0.02720 0.02884 0.11523 0.21656 0.12222 0.01657 0.02610 -0.01789 0.01162 -0.03479 0.00417 -0.07192 -0.04915 -0.26666 0.04223 -0.00007 -0.00792 0.01254 0.00715 -0.01609 -0.06329 -0.06323 -0.04192 -0.31191 -0.19276 0.00823 0.00365 -0.00062 0.00099 -0.00874 -0.00261 -0.00530 -0.00029 0.00575 0.00022 0.00316 -0.00094 0.00295 0.00085 0.00779 -0.00093 -0.00059 0.00087 -0.00099 -0.00503 -0.00034 -0.00326 0.00825 0.00332 0.01281 0.00212 0.00218 0.00332 0.00740 0.00585 -0.00599 0.00387 -0.01214 -0.00454 -0.01383 0.00328 0.00282 -0.00511 -0.00171 0.00116 -0.00016 -0.00076 -0.00010 -0.00011 0.00135 -0.00008 -0.00201 -0.00178 -0.00234 -0.00110 0.04297 0.02411 -0.01288 0.00175 -0.04029 -0.00911 -0.01717 -0.00447 -0.02113 -0.01319 0.03539 0.00758 -0.02761 -0.01574 -0.03636 -0.05680 0.03969 -0.00917 -0.32554 -0.16163 -0.00141 0.00039 -0.00125 0.00040 -0.00144 0.00066 -0.00235 -0.00052 0.00190 0.00265 -0.00049 0.00056 -0.00072 -0.00052 -0.00094 -0.00078 0.00022 0.00177 -0.00349 -0.00252 0.00161 0.00070 0.00018 0.00001 -0.00134 -0.00120 0.00053 0.00101 -0.00127 -0.00013 -0.07298 0.00961 -0.06342 -0.02674 -0.03481 0.02031 0.01732 -0.01367 -0.02393 0.00535 -0.07428 0.00880 -0.08586 -0.03432 -0.03559 0.07639 0.08231 -0.16987 -0.59077 -0.14002 0.00152 -0.00033 0.00105 0.00022 0.00072 0.00011 0.00115 0.00001 -0.00236 -0.00022 0.00122 0.00117 -0.00048 0.00023 -0.00187 -0.00021 -0.00136 -0.00094 -0.00233 0.00017 -0.00015 0.00017 0.00109 0.00046 -0.00034 -0.00153 -0.00143 -0.00087 -0.00439 -0.00374 -0.00088 -0.04612 0.06719 0.01423 0.09916 -0.00798 0.01236 0.01997 -0.00444 0.00286 0.00250 -0.05581 0.07433 0.02655 0.16414 0.03592 0.00068 -0.02671 -0.60861 0.10667 -0.00245 -0.00065 0.00001 -0.00063 0.00126 -0.00054 0.00181 0.00156 0.00410 0.00034 0.00041 -0.00096 0.00125 0.00035 0.00104 -0.00051 -0.00042 -0.00040 0.00170 -0.00032 0.00024 -0.00012 0.00033 0.00031 -0.00110 -0.00094 -0.00190 -0.00175 -0.00675 -0.00160 -0.00496 -0.00424 0.01539 0.00611 0.00492 -0.01197 -0.01344 -0.01578 -0.06828 0.01346 0.01236 0.00953 -0.03697 -0.01226 -0.01124 0.03534 0.02356 0.02488 0.08625 -0.00383 -0.09086 0.00183 0.04078 0.01304 -0.04147 -0.01836 -0.02414 0.01935 0.07818 0.04498 0.07661 0.04940 -0.07667 -0.04063 -0.08375 0.02110 0.04187 0.00116 -0.12045 0.07512 -0.02961 0.00157 0.03625 0.02740 0.01138 -0.00420 -0.03768 0.01843 0.06450 0.06385 0.01272 0.01204 -0.05073 -0.02916 -0.00407 0.06668 0.13905 0.25248 1.04953 -0.20959 -0.04960 0.00143 0.00020 0.01597 -0.01891 0.06311 -0.07279 -0.00535 0.24023 0.11559 0.03565 0.01494 -0.03745 -0.02101 -0.02503 0.02367 0.05984 -0.13468 -0.32169 0.15212 -0.01045 0.00551 0.00734 0.01193 0.00651 0.02198 -0.03551 0.06253 0.25175 0.23354 0.00823 0.00384 -0.00653 -0.00224 -0.00914 0.00108 0.00053 0.00063 0.00487 -0.00260 -0.00189 0.00099 -0.00451 -0.00221 -0.00690 -0.00121 -0.00108 -0.00045 0.00001 0.00458 -0.00252 0.00123 -0.00251 -0.00051 -0.00834 -0.00113 -0.00173 -0.00274 -0.00793 -0.00545 -0.00426 0.00475 -0.00598 -0.00312 -0.01979 -0.00567 -0.00263 0.00241 -0.00505 -0.00099 -0.00017 -0.00045 0.00147 0.00063 0.00092 0.00145 0.00240 -0.00196 -0.00456 -0.00031 -0.02640 -0.04003 0.04816 0.02632 0.10313 0.01509 -0.00253 -0.02080 -0.00345 0.01512 -0.01953 -0.05387 0.07345 0.03481 0.15594 0.02923 0.00739 -0.20717 -0.66233 0.34862 -0.00290 -0.00011 0.00135 0.00053 0.00040 -0.00077 -0.00134 0.00083 0.00712 -0.00226 -0.00066 -0.00071 0.00003 0.00031 0.00109 0.00054 -0.00013 -0.00125 0.00286 -0.00222 -0.00050 0.00016 0.00113 0.00058 0.00065 -0.00039 -0.00042 0.00130 0.00674 0.00181 -0.05916 0.01261 -0.00090 -0.00439 -0.06727 -0.02334 -0.00988 0.01346 -0.03737 0.01091 -0.06065 0.01074 0.01060 -0.01039 -0.08497 -0.12428 -0.01369 -0.08069 -0.66666 -0.07639 0.00107 -0.00033 0.00011 0.00028 0.00106 -0.00005 -0.00106 -0.00074 -0.00290 -0.00023 0.00185 0.00086 -0.00145 -0.00074 -0.00093 0.00100 0.00160 -0.00087 -0.00425 0.00014 0.00009 0.00024 0.00049 0.00049 -0.00082 -0.00053 -0.00179 0.00080 0.00364 0.00358 0.03619 0.02045 -0.02607 -0.00354 -0.02664 0.01057 -0.00212 0.00070 -0.01818 -0.01997 0.03310 0.01736 -0.00682 0.00521 -0.05029 -0.03265 -0.05533 -0.11037 -0.36803 -0.18196 -0.00102 0.00055 -0.00099 -0.00026 -0.00100 0.00152 0.00064 -0.00003 0.00204 0.00262 0.00046 0.00044 -0.00066 -0.00037 -0.00139 -0.00046 -0.00075 -0.00109 -0.00360 -0.00118 -0.00175 -0.00066 0.00101 0.00015 0.00065 -0.00064 0.00037 0.00020 0.00098 0.00055 0.00912 0.01301 -0.01791 -0.00827 -0.03616 -0.00901 -0.00325 -0.01862 -0.02995 -0.05360 -0.01889 -0.02685 0.03772 0.01794 0.07293 0.01741 0.00694 0.03479 0.05307 0.10895 0.20104 0.00935 0.08854 0.03779 0.16036 0.01768 0.00877 0.01971 0.06177 -0.03404 -0.05000 -0.11594 0.20864 0.08266 0.41329 0.04184 0.03290 0.05317 0.04057 0.04904 0.01089 -0.01580 -0.04512 -0.02979 0.06878 0.01519 0.00379 0.00519 -0.00275 0.00857 -0.07236 -0.07498 0.07422 0.03553 0.17067 0.07736 0.01868 0.18465 0.45541 0.58061 0.13743 0.01587 0.07392 0.02793 0.13447 0.02422 0.02846 0.00750 0.04494 -0.01694 -0.03166 -0.08875 0.17472 0.06317 0.34996 0.02508 0.05433 0.10359 0.07340 -0.00092 0.00268 -0.01387 -0.02658 -0.00782 0.05523 0.03289 -0.07588 -0.01971 0.00054 0.00781 0.00641 0.00079 0.00286 0.00159 0.00271 0.00033 -0.00005 0.00374 0.00106 0.01118 0.00133 -0.00068 -0.00977 -0.00608 0.00411 0.01311 0.01861 -0.00373 0.00030 0.00126 -0.00136 -0.00091 0.00478 0.00358 -0.00297 -0.00297 -0.00683 -0.00700 -0.00031 -0.00048 -0.00800 -0.00045 0.00079 0.00027 0.00238 0.00106 0.00142 0.00291 0.00789 0.00789 -0.00539 0.00491 -0.00434 -0.00203 -0.00408 0.00075 0.00226 -0.00666 -0.01185 -0.00293 -0.03331 -0.03760 -0.05863 -0.04780 -0.09764 -0.03466 0.00101 -0.02723 0.07794 0.08209 -0.03452 -0.05573 -0.08557 -0.07763 -0.17524 -0.14245 -0.04739 -0.19304 0.48658 0.75815 0.00004 -0.00132 0.00083 -0.00016 0.00255 -0.00639 0.00115 -0.01822 0.00228 -0.00476 0.00143 0.00194 0.00039 0.00108 -0.00005 0.00296 0.00025 0.01316 0.00144 0.01116 0.00094 0.00079 0.00115 0.00148 0.00189 -0.00020 -0.00078 -0.01235 0.00236 -0.00014 -0.02969 -0.04626 -0.01790 -0.02972 -0.01554 -0.04243 0.00422 -0.11498 -0.02114 -0.13438 -0.02882 -0.04152 0.00788 -0.00696 0.05312 -0.06532 -0.00179 -0.51947 -0.37568 -0.74177 -0.00035 -0.00289 -0.00018 -0.00156 0.00116 -0.00624 0.00194 -0.01655 0.00267 0.00089 -0.00214 -0.00065 -0.00672 -0.00400 -0.01238 -0.00215 0.00007 0.00086 0.00262 0.00203 -0.00026 -0.00087 -0.00113 -0.00022 -0.00260 -0.00143 -0.00208 -0.01464 0.00432 0.00304 0.00036 0.00309 0.00002 -0.00410 0.00062 -0.01123 0.00140 0.01407 -0.00606 0.00910 -0.00098 -0.00643 0.00053 0.00841 -0.00133 0.02457 -0.00378 -0.02620 0.01452 -0.02139 0.00535 0.12819 0.03256 -0.04613 0.04492 -0.08093 -0.01031 -0.10290 0.02932 0.05460 0.06441 0.19392 0.01191 -0.05116 0.03111 -0.03494 0.01402 0.04408 -0.05604 -0.06828 -0.00210 -0.03740 0.01434 0.02735 0.01646 0.01437 -0.01081 -0.13321 0.01943 -0.03605 -0.00135 -0.02046 -0.00329 0.02705 -0.00540 0.08308 -0.00799 -0.12264 0.04567 -0.05909 0.00278 0.08750 0.02479 -0.03566 0.03337 -0.07624 -0.01216 -0.10103 0.02035 0.05712 0.04571 0.13604 0.00890 -0.03847 0.02025 -0.02442 0.00761 0.05425 -0.04507 -0.06678 -0.00166 -0.02526 0.01130 0.02271 0.01291 0.01915 -0.01201 -0.14550 0.02944 -0.03860 0.00014 -0.00037 0.00036 0.00014 -0.00029 0.00249 -0.00066 0.00736 0.00019 -0.00027 0.00001 0.00226 0.00028 -0.00093 0.00002 0.00135 -0.00027 0.00431 -0.00129 0.00105 0.00146 0.00270 -0.00010 -0.00152 -0.00003 -0.00043 -0.00030 -0.00133 0.00129 0.00208 -0.00016 -0.00115 -0.00024 0.00004 -0.00064 -0.00123 -0.00112 -0.00521 0.00407 0.00437 -0.00055 -0.00083 -0.00014 -0.00006 -0.00025 -0.00166 0.00016 0.00080 0.00177 0.00220 0.00074 0.00257 -0.00158 0.00213 -0.00233 0.00748 0.00017 0.00490 0.00955 0.03674 -0.00106 -0.00431 0.00367 -0.00399 0.00511 -0.01366 -0.00217 -0.00948 -0.02259 -0.08486 0.01981 0.08286 0.02831 0.02671 0.06045 -0.03798 0.00260 -0.15427 -0.00250 -0.03381 -0.01298 0.18770 -0.01233 0.05638 -0.01995 0.06243 0.00186 0.02376 0.02888 0.11853 0.01296 -0.04743 0.02128 -0.02972 0.02742 -0.04617 -0.01034 -0.07109 0.01656 0.05048 -0.00559 -0.02279 0.00861 -0.01641 0.01372 -0.06756 0.00505 -0.03906 -0.06888 -0.27206 0.01314 0.05741 0.02316 0.01923 0.04458 -0.03520 -0.00853 -0.14903 0.00069 -0.03814 -0.00861 0.13048 -0.00950 0.04386 -0.01733 0.06407 -0.00229 0.03494 0.03231 0.13955 0.00935 -0.03559 0.01560 -0.02328 0.02151 -0.04364 -0.00859 -0.07555 0.02416 0.07788 -0.00050 0.00154 -0.00035 0.00076 -0.00057 -0.00108 -0.00044 -0.00421 0.00070 -0.00139 -0.00005 -0.00102 0.00001 -0.00136 -0.00039 -0.00191 -0.00067 -0.00247 0.00194 0.00485 -0.00060 -0.00101 -0.00002 -0.00023 -0.00036 -0.00212 -0.00097 -0.00402 0.00113 -0.00084 0.00001 0.00212 -0.00043 0.00076 -0.00035 -0.00132 0.00058 0.00235 0.00076 0.00401 -0.00030 0.00059 -0.00051 -0.00004 -0.00009 -0.00209 0.00142 -0.00823 0.00164 0.00139 1 H 1S 2S 3PX 3PY 3PZ 2 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 3 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 4 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 5 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 6 H 1S 2S 3PX 3PY 3PZ 7 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 8 H 1S 2S 3PX 3PY 3PZ 9 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 10 H 1S 2S 3PX 3PY 3PZ 11 B 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 12 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 13 H 1S 2S 3PX 3PY 3PZ 14 H 1S 2S 3PX 3PY 3PZ 15 H 1S 2S 3PX 3PY 3PZ 16 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 17 H 1S 2S 3PX 3PY 3PZ 18 H 1S 2S 3PX 3PY 3PZ 19 H 1S 2S 3PX 3PY 3PZ 20 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 21 H 1S 2S 3PX 3PY 3PZ 22 H 1S 2S 3PX 3PY 3PZ 23 F 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 24 F 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 1 H 1S|2S|3PX|3PY|3PZ|2 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|3 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|4 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|5 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|6 H 1S|2S|3PX|3PY|3PZ|7 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|8 H 1S|2S|3PX|3PY|3PZ|9 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|10 H 1S|2S|3PX|3PY|3PZ|11 B 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|12 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|13 H 1S|2S|3PX|3PY|3PZ|14 H 1S|2S|3PX|3PY|3PZ|15 H 1S|2S|3PX|3PY|3PZ|16 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|17 H 1S|2S|3PX|3PY|3PZ|18 H 1S|2S|3PX|3PY|3PZ|19 H 1S|2S|3PX|3PY|3PZ|20 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|21 H 1S|2S|3PX|3PY|3PZ|22 H 1S|2S|3PX|3PY|3PZ|23 F 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|24 F 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2 0.53277 0.31859 0.00751 0.00193 0.00261 1.99654 0.67863 0.74746 0.75217 0.56719 0.48874 0.25093 0.17805 0.41931 0.00309 0.00267 0.00596 0.01296 0.01024 1.99656 0.68048 0.75268 0.74772 0.55291 0.51134 0.20257 0.27764 0.41919 0.00284 0.00618 0.00317 0.01144 0.01262 1.99654 0.68065 0.75567 0.74725 0.55745 0.50343 0.21033 0.24217 0.41221 0.00284 0.00556 0.00396 0.01043 0.01275 1.99683 0.66984 0.75567 0.75303 0.57419 0.52772 0.17152 0.15440 0.41629 0.00267 0.00508 0.00385 0.00944 0.00955 0.53276 0.31392 0.00279 0.00656 0.00263 1.99654 0.67732 0.75939 0.73672 0.57817 0.48134 0.18268 0.23750 0.43059 0.00283 0.00592 0.00315 0.01004 0.01193 0.53294 0.31595 0.00384 0.00549 0.00271 1.99666 0.67974 0.67657 0.76379 0.59277 0.41651 0.09201 0.15474 0.39609 0.00418 0.00700 0.00692 0.01849 0.02035 0.53105 0.32885 0.00288 0.00658 0.00286 1.99568 0.53368 0.32983 0.51406 0.35173 0.17945 0.13025 0.11876 0.08826 0.02599 0.02281 0.02786 0.01881 0.02201 1.99641 0.65788 0.72035 0.71412 0.65014 0.56293 0.33061 0.31968 0.21452 0.01129 0.00728 0.01125 0.01235 0.00295 0.52757 0.30525 0.00278 0.00354 0.00460 0.52951 0.32046 0.00693 0.00226 0.00162 0.52755 0.34583 0.00233 0.00666 0.00175 1.99636 0.65632 0.71939 0.70153 0.66698 0.56253 0.33245 0.29643 0.23909 0.01156 0.00707 0.00937 0.01396 0.00327 0.52835 0.34262 0.00233 0.00685 0.00172 0.52886 0.31821 0.00687 0.00218 0.00174 0.52804 0.31311 0.00281 0.00266 0.00538 1.99719 0.75070 0.78285 0.96596 0.75089 0.86443 0.38608 0.62074 0.35295 0.00925 0.00844 0.00927 0.00860 0.00466 0.54062 0.45802 0.00104 0.00585 0.00150 0.46740 0.42001 0.00096 0.01383 0.00064 1.99731 0.92910 1.11441 1.15933 1.02221 1.02915 0.71603 0.73314 0.65112 0.00365 0.00312 0.00176 0.00055 0.00049 1.99732 0.92887 1.13034 1.04176 1.12261 1.03075 0.73480 0.65437 0.72087 0.00124 0.00070 0.00301 0.00239 0.00235 0.4253 -4.6464 1.3737 4.8638 -57.2636 -81.3962 -73.0781 -21.9404 7.8614 1.5711 13.3157 -10.8169 -2.4988 -21.9404 7.8614 1.5711 -739.3527 -192.9627 8.0352 -345.0055 -147.0243 46.2491 -295.9395 -52.5551 9.2618 14.8613 -7309.9360 -1501.9045 -327.9592 -1014.5824 299.7346 -786.4474 98.8937 75.0882 104.8498 -1856.3212 -1459.0184 -292.9640 125.3941 67.9389 -218.5069 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 158.90010639999997 AuxInfo=1/0/N:12,16,2,4,3,7,5,9,11,23,24,20;21;22/E:(1,2)(10,11);;/CRV:3.3,4.3,5.3,6.3,7.3,8.3;;/rA:24nHC3C3C3C3HC3HC3HBCHHHCHHHNH0H0FF/rB:s1;s2;s2;s3;s3;s4;s4;s5s7;s7;s5;;s12;s12;s12;;s16;s16;s16;s9s12s16;;;s11;s11;/rC:.3069,.4912,.1593;1.3838,.3579,.1608;2.2211,1.4145,-.1816;1.9399,-.8647,.524;3.613,1.27,-.1942;1.7874,2.3786,-.4324;3.3213,-1.0312,.5322;1.2984,-1.695,.8029;4.159,.0228,.1628;3.7436,-1.9878,.8214;4.4975,2.5236,-.5332;6.1689,-.3905,-1.1268;5.7806,.3038,-1.8703;7.2544,-.2668,-1.0721;5.9472,-1.4205,-1.4464;6.1287,-.9758,1.2145;5.9868,-2.0449,.9922;7.2037,-.7932,1.2987;5.6615,-.7507,2.1756;5.587,-.0977,.185;5.7012,2.4513,.7059;5.8597,1.6834,.6031;5.3287,2.544,-1.5949;4.0964,3.7345,-.1051; 0.000000 1.085174 0.000000 2.152502 1.390955 0.000000 2.153667 1.391392 2.402470 0.000000 3.415017 2.434605 1.399443 2.805720 0.000000 2.470687 2.144214 1.086427 3.384754 2.149073 0.000000 3.397630 2.412822 2.775214 1.391444 2.430736 3.861352 0.000000 2.485323 2.152716 3.389693 1.085708 3.891410 4.284740 2.146188 0.000000 3.880525 2.795354 2.410563 2.417144 1.407461 3.395307 1.396163 3.397629 0.000000 4.288983 3.392314 3.860083 2.145534 3.414976 4.946129 1.084924 2.462775 2.156192 0.000000 4.708706 3.855751 2.556473 4.374855 1.571198 2.715874 3.892963 5.460403 2.617746 4.770333 0.000000 6.065856 5.011463 4.442529 4.564443 3.187379 5.229425 3.357302 5.398826 2.423528 3.497010 3.411350 0.000000 5.840869 4.843501 4.093263 4.674230 2.905358 4.724126 3.688094 5.588479 2.615661 4.079939 2.891573 1.088787 0.000000 7.096424 6.031089 5.380850 5.581112 4.048712 6.106959 4.315936 6.405439 3.345190 4.344313 3.959377 1.093929 1.770525 0.000000 6.168181 5.154655 4.849817 4.499985 3.775627 5.724062 3.310853 5.171704 2.805427 3.212602 4.300115 1.100992 1.783415 1.783222 0.000000 6.095832 5.040131 4.788724 4.246756 3.654661 5.728058 2.889608 4.900838 2.446022 2.620529 4.238013 2.413765 3.357753 2.645514 2.703948 0.000000 6.275954 5.258571 5.246510 4.241431 4.246265 6.263486 2.888602 4.705301 2.881710 2.250437 5.041354 2.694497 3.708400 3.004914 2.517563 1.101103 0.000000 7.107345 6.040779 5.647249 5.320975 4.402080 6.510979 3.964466 5.994300 3.350570 3.691482 4.656183 2.667635 3.642930 2.429076 3.083485 1.093670 1.772378 0.000000 5.854895 4.856642 4.699021 4.073189 3.727622 5.621595 2.873275 4.670365 2.628145 2.653743 4.406044 3.360538 4.182706 3.649539 3.694473 1.092038 1.783571 1.774594 0.000000 5.312977 4.227910 3.708186 3.742272 2.431287 4.577147 2.474951 4.617951 1.433272 2.715812 2.928139 1.464682 2.103087 2.095033 2.130994 1.457478 2.145375 2.082667 2.096227 0.000000 5.765422 4.829016 3.738141 5.017607 2.562444 4.076646 4.221629 6.048639 2.927596 4.852977 1.729041 3.413709 3.354821 3.600240 4.436647 3.490901 4.514297 3.624293 3.523397 2.604197 0.000000 5.696757 4.688984 3.731975 4.675931 2.419554 4.259035 3.717263 5.679757 2.417423 4.243091 1.962814 2.718334 2.833226 2.924845 3.720550 2.741844 3.750688 2.902367 2.904668 1.849769 0.790770 0.000000 5.701795 4.839796 3.595852 5.252894 2.555125 3.730912 4.619145 6.321574 3.288446 5.374813 1.348484 3.088046 2.301854 3.447017 4.015191 4.574019 5.308813 4.798440 5.018183 3.195859 2.332595 2.419418 0.000000 4.994988 4.339384 2.984104 5.118501 2.513040 2.697641 4.870259 6.175203 3.721863 5.807606 1.345588 4.728062 4.209750 5.188290 5.639032 5.297048 6.178916 5.667991 5.269572 4.122162 2.209048 2.796048 2.270528 0.000000 1.0256322 0.9087384 0.5521084 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 1 6 6 6 6 1 6 1 6 1 5 6 1 1 1 6 1 1 1 7 1 1 9 9 -0.000902330 0.000048425 0.000056099 -0.001717911 -0.000018600 0.000222471 0.000906384 0.002932693 -0.000086540 -0.000885357 -0.000483268 0.000138378 0.002895325 0.002504171 -0.000583083 0.000215889 0.001135069 -0.000072885 0.000959213 -0.001670541 0.000332867 -0.000503815 -0.000709328 0.000119839 -0.001161987 0.000290381 -0.000018951 0.000439128 -0.000935350 0.000052796 0.002087667 0.050927282 -0.029305388 -0.000271660 0.001062375 0.000702254 -0.000567045 0.001614270 -0.000423054 0.000724579 -0.000118144 0.000007093 -0.000069911 -0.000383448 -0.000499908 -0.000256274 -0.000028024 -0.000585614 0.000065678 -0.000755041 0.000186083 0.000750776 0.000008871 0.000063356 -0.000349505 0.000242353 0.000469733 0.001002465 0.001999311 0.000145466 0.000850086 -0.001327958 -0.000104386 0.000945225 0.004765944 -0.000620704 -0.026638044 -0.004955772 0.060757427 0.021481425 -0.056145670 -0.030953349 0.060757427 0.013192603 7 -591.268398491 PT53021.300S 2021-04-14T14:18:54.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 H C C C C H C H C H B C H H H C H H H N H H F F 0.136582 -0.113932 -0.177349 -0.141228 -0.050071 0.141338 -0.114106 0.139071 0.174159 0.127775 0.640835 -0.211753 0.156257 0.139220 0.115882 -0.216307 0.118135 0.142139 0.147996 -0.512016 -0.007033 0.097156 -0.361361 -0.371389 -0.00000 -10.31622 -10.30336 -10.30193 -10.29976 -10.29711 -10.28371 -6.94419 -1.30795 -1.27795 -1.04845 -0.95028 -0.85121 -0.84583 -0.81278 -0.75024 -0.71070 -0.67526 -0.64869 -0.61567 -0.60502 -0.59189 -0.57049 -0.55520 -0.55242 -0.54726 -0.52483 -0.51503 -0.49862 -0.49385 -0.48487 -0.48211 -0.47579 -0.46477 -0.45411 -0.44927 -0.42801 -0.40808 -0.34180 -0.33107 -0.29939 0.05083 0.06672 0.13917 0.16931 0.17761 0.20331 0.21752 0.22468 0.22865 0.24001 0.24533 0.24571 0.26709 0.27191 0.28283 0.28959 0.31712 0.32119 0.34337 0.36025 0.38380 0.39707 0.42206 0.43232 0.45750 0.53003 0.55102 0.56641 0.58224 0.59917 0.60944 0.61950 0.63280 0.63960 0.66090 0.66202 0.69512 0.69753 0.69984 0.71093 0.71520 0.73552 0.74470 0.75532 0.78696 0.79959 0.81127 0.83973 0.87218 0.89168 0.90450 0.91275 0.92081 0.92947 0.94459 0.95412 0.97934 0.98278 0.99395 1.01697 1.03065 1.04699 1.05625 1.06415 1.08757 1.11872 1.13146 1.15152 1.20408 1.21451 1.23545 1.26895 1.28372 1.29525 1.29809 1.31395 1.35226 1.37971 1.40482 1.41404 1.42630 1.42917 1.45132 1.48037 1.49806 1.50211 1.53180 1.53454 1.54195 1.58136 1.60054 1.62306 1.65292 1.67265 1.71305 1.76931 1.80743 1.83362 1.86589 1.88215 1.89314 1.92123 1.93491 1.95083 1.96059 1.98136 1.99474 2.00545 2.00973 2.02897 2.04780 2.05274 2.05709 2.07056 2.08149 2.09222 2.11610 2.12532 2.12878 2.13674 2.15412 2.17034 2.17841 2.19186 2.21129 2.21496 2.24303 2.28298 2.30350 2.35323 2.37502 2.39051 2.40173 2.40721 2.46060 2.46795 2.47161 2.48588 2.51342 2.51644 2.54161 2.56429 2.58347 2.59801 2.60411 2.64504 2.65762 2.67201 2.68679 2.71566 2.72286 2.73533 2.74738 2.75096 2.80659 2.82666 2.84161 2.87417 2.88439 2.89696 2.90205 2.94772 2.99877 3.01798 3.02575 3.12150 3.13838 3.17002 3.18707 3.28070 3.30799 3.32886 3.33826 3.37321 3.43075 3.45242 3.50316 3.51451 3.56413 3.58218 3.60797 3.97020 4.11463 41 42 43 44 45 46 47 48 49 50 O|O|O|O|O|V|V|V|V|V -0.42801 -0.40808 -0.34180 -0.33107 -0.29939 0.05083 0.06672 0.13917 0.16931 0.17761 -0.14902 -0.06036 -0.01035 0.00119 -0.00440 0.00223 0.00101 -0.01279 -0.04394 0.03325 -0.14669 -0.06281 -0.01085 -0.00000 -0.00364 0.00685 0.00391 -0.08874 -0.45317 0.45763 -0.00361 -0.00088 -0.00029 -0.00001 0.00022 -0.00031 -0.00041 0.00061 0.00289 -0.00303 -0.00110 0.00337 -0.00145 -0.00013 0.00182 -0.00171 -0.00329 0.00032 -0.00218 0.00082 0.00064 -0.00019 -0.00613 -0.00081 0.00514 -0.00503 -0.01045 -0.00550 -0.00190 -0.00173 -0.00327 -0.01050 -0.00119 0.00032 -0.00058 0.00340 0.00020 -0.01467 -0.02886 0.01318 0.01159 0.02345 0.00271 0.00059 0.00033 -0.00473 -0.00065 0.02653 0.05549 -0.01785 0.18491 0.11739 0.00730 -0.00235 0.01484 -0.01029 -0.00950 0.00824 -0.05460 0.10682 -0.13235 0.18095 -0.04793 -0.00898 0.08586 -0.05121 -0.08278 0.00230 -0.01327 0.00115 0.04125 -0.02074 -0.25336 -0.03283 0.19528 -0.13973 -0.27929 -0.12305 -0.04538 -0.03739 -0.00605 0.05288 0.00291 -0.01299 0.00935 -0.03885 -0.01199 0.18379 0.28927 -0.26116 0.06563 0.05553 0.00436 -0.00870 0.01582 -0.02512 -0.01619 0.01615 -0.20747 0.20159 -0.04917 0.08553 -0.03915 -0.01348 0.06263 -0.07749 -0.11526 -0.00032 0.04175 0.00972 0.01700 -0.00046 -0.17818 -0.02228 0.15120 -0.19396 -0.39248 -0.18537 -0.08672 -0.05693 0.00281 0.00122 0.00118 -0.00897 -0.00024 0.01250 -0.00769 0.00365 0.00448 -0.00317 0.00154 -0.00044 -0.00650 0.00113 0.00299 0.00036 0.00901 0.00523 0.00108 0.00279 -0.00427 -0.00134 -0.00156 0.01555 0.00013 -0.02081 0.01255 -0.00612 -0.00288 0.00315 -0.01809 -0.00462 -0.00108 -0.00482 -0.00042 0.00770 -0.00330 -0.00084 -0.01130 0.01276 -0.00164 0.00712 -0.00015 0.00089 0.00272 -0.00071 0.00354 -0.00175 0.00648 -0.00547 0.00436 0.00797 -0.00080 -0.00109 -0.00143 -0.00631 -0.00221 0.02493 -0.00759 0.04914 -0.01436 -0.01438 0.00143 0.00311 0.00299 0.01222 0.00407 -0.04943 0.00650 -0.10228 -0.21255 -0.14952 -0.02159 0.01467 0.00073 0.01209 0.01921 -0.06289 -0.03752 -0.00834 0.12275 -0.13932 -0.07025 0.07339 0.00675 -0.04800 0.08591 0.01140 0.03437 -0.07210 -0.02050 0.07458 -0.16025 0.25488 0.09807 -0.18762 0.29465 0.02810 0.02532 0.05464 -0.00302 -0.06061 -0.00031 0.02402 -0.00484 0.09434 0.02169 -0.29731 0.21402 -0.51884 -0.08259 -0.05998 -0.01288 0.00469 0.00561 0.00483 0.02734 -0.08379 0.06257 0.11539 0.04499 -0.02126 -0.04143 0.04524 0.01695 -0.07088 0.11387 0.04947 0.06983 -0.22077 -0.00687 0.02018 -0.11735 0.18930 0.06949 -0.22765 0.41666 0.00675 0.02468 0.09184 -0.00034 0.00197 -0.00397 -0.00103 0.00366 -0.00443 -0.00707 -0.00292 -0.00130 -0.00549 0.00245 -0.00518 0.00679 0.01248 -0.01113 0.02205 0.00942 0.00865 -0.00006 0.00141 -0.00511 -0.00097 0.00646 -0.00055 -0.00490 0.00511 0.01115 -0.00022 0.00274 -0.00483 -0.01595 0.00161 -0.00127 0.00085 0.00231 -0.00077 -0.00343 0.00061 0.00660 -0.00943 -0.00696 0.01689 0.00626 0.00393 0.00039 0.00597 0.00344 0.01102 0.00816 -0.00297 -0.00586 -0.00268 0.00485 0.00079 0.00560 0.00057 0.00138 -0.00467 -0.00914 0.04027 0.01244 0.00286 -0.01028 -0.00220 -0.01281 -0.00235 -0.00393 0.00822 0.00370 -0.06728 -0.17680 -0.02634 -0.04040 -0.01095 -0.02981 0.00687 -0.00122 0.01650 -0.07457 0.04648 0.15240 -0.09704 -0.05018 -0.09168 0.00655 0.09980 -0.00711 0.04012 -0.04342 0.09627 -0.03799 0.06291 -0.09295 -0.28528 0.07404 0.31521 -0.01466 0.12702 0.06563 -0.00757 0.00905 0.01757 -0.02734 -0.00143 -0.02740 -0.00565 -0.00804 0.06237 0.30110 -0.60295 -0.07085 -0.00785 -0.03056 -0.00326 -0.02205 0.01400 -0.00541 0.06246 -0.09040 0.11269 0.05078 -0.04109 -0.02924 -0.06508 0.00895 0.13225 0.00256 0.03923 -0.00905 0.25150 -0.01143 0.03257 -0.06878 -0.20481 0.05532 0.42318 -0.02362 0.22704 0.07855 -0.04588 0.00087 -0.00122 0.00434 0.00052 -0.00392 0.00347 0.00753 0.00289 0.00082 -0.00176 0.00125 -0.00372 0.00745 -0.00972 -0.01061 -0.00414 0.02325 -0.00145 0.00391 -0.00401 -0.00255 -0.00083 -0.00879 -0.00007 0.00683 -0.00577 -0.01495 -0.00450 -0.00072 -0.00605 -0.00982 -0.00382 0.00247 -0.00029 -0.00279 0.00241 0.00586 -0.00019 0.00370 -0.00616 -0.00301 0.01209 0.00689 -0.00285 0.00161 -0.00128 0.00771 -0.00055 -0.01386 0.01560 -0.00165 -0.02442 0.00348 -0.00061 0.00594 0.00384 0.00245 -0.01198 -0.00825 0.01344 -0.00056 0.03413 -0.00939 0.00041 -0.01515 -0.00336 -0.00613 0.00139 0.03444 -0.02549 0.23630 0.18748 0.01203 0.00716 -0.01048 -0.00162 -0.00477 0.02342 0.00659 -0.01908 -0.10702 0.25937 0.09416 0.09348 0.03871 0.08734 0.01110 0.06642 0.00894 -0.01118 0.02246 -0.06876 0.04299 0.29508 -0.14959 0.29633 -0.01432 0.10789 0.00722 -0.00554 0.02985 0.19346 -0.01040 0.01460 -0.02166 -0.02340 -0.00828 0.20013 -0.14543 -0.11586 0.07751 0.06746 0.00086 0.02662 -0.01309 0.05177 0.00518 -0.07200 0.09900 -0.00010 -0.05302 0.08938 0.05728 0.04664 0.03477 0.00632 0.02323 0.26471 0.14122 0.05877 0.01289 -0.01830 0.03180 0.20719 -0.12259 0.39846 -0.04439 0.10437 -0.02655 -0.02680 0.00030 0.00083 0.00414 0.00078 -0.00356 -0.00747 -0.00797 0.00728 0.00332 -0.00036 0.00096 -0.00404 0.00903 -0.00930 -0.00675 0.00837 -0.02406 -0.00429 0.00069 -0.00389 -0.00183 -0.00039 -0.00931 -0.00017 0.00491 0.01136 0.01651 -0.01330 -0.00251 -0.00981 -0.00916 -0.00208 0.00268 0.00006 -0.00205 -0.00012 -0.00449 -0.01644 -0.00593 -0.02153 -0.00337 0.01252 0.00604 -0.00222 0.00105 0.00412 -0.00618 -0.01006 -0.01134 0.01048 0.14442 -0.08244 -0.01649 0.00076 -0.01837 0.00396 0.00071 -0.01551 -0.02829 0.03601 0.13945 -0.09892 -0.02417 -0.00470 -0.02669 -0.01064 -0.00348 -0.02597 -0.21313 0.60350 -0.00059 -0.00381 -0.00057 0.00035 -0.00014 -0.00024 0.00062 0.00151 0.00082 0.00010 -0.00388 0.00051 -0.00100 0.00178 0.00075 -0.00189 0.00300 0.00160 -0.00079 0.00504 0.00110 0.00070 -0.00411 0.00622 0.00233 -0.00632 0.01102 -0.00084 0.00136 -0.00028 0.00646 -0.00308 -0.01213 -0.00083 -0.01356 -0.00243 -0.00245 0.02108 -0.04028 0.02775 -0.02130 0.00714 0.02417 0.00142 0.02769 0.00505 0.00440 -0.04472 0.10009 -0.02472 0.16003 0.06439 0.06786 -0.00476 0.05408 0.00049 0.01642 -0.04075 0.05809 -0.02533 -0.10600 0.13338 0.10956 -0.07714 0.02174 -0.03221 0.10398 -0.02760 -0.13370 0.07561 0.02907 -0.03394 0.11475 -0.25664 -0.17133 -0.13523 0.28809 -0.08448 0.00645 -0.02831 0.03947 0.04247 0.07106 0.00025 0.07750 0.02088 0.01922 -0.26463 0.33135 -0.48275 0.06223 0.03541 0.02159 -0.00388 0.02315 -0.00543 0.01129 -0.01456 0.09752 -0.28254 -0.00085 0.07504 0.07426 -0.05239 0.01550 -0.02040 0.13886 -0.02631 -0.50047 0.14052 -0.00109 -0.01764 0.08320 -0.19331 -0.13826 -0.20458 0.40422 -0.15627 0.12649 -0.04640 -0.00060 0.00038 -0.00407 -0.00023 0.00411 0.00507 0.00823 0.00075 0.00291 -0.00361 0.00268 -0.00469 0.00907 0.01155 -0.00668 -0.02420 -0.00868 -0.00951 -0.00598 0.00161 -0.00455 0.00151 0.00607 -0.00097 -0.00505 -0.00601 -0.01121 0.00095 0.00060 -0.00799 -0.01191 0.00534 -0.00300 0.00024 0.00010 0.00036 0.00419 -0.00082 0.00042 -0.01774 -0.00784 0.00929 0.00590 0.00386 -0.00046 -0.00761 -0.00369 -0.00301 0.00832 -0.01162 -0.00846 0.09072 0.02912 0.00186 0.02454 0.00088 0.00395 0.00028 -0.03474 0.05580 -0.01190 0.09062 0.03358 0.00334 0.03185 0.00517 0.01402 -0.00732 -0.36003 0.69695 -0.00301 0.00180 -0.00014 -0.00025 -0.00022 0.00011 -0.00005 0.00092 0.00150 -0.00155 0.00203 0.00115 -0.00030 -0.00219 0.00094 0.00377 -0.00022 0.00117 0.00282 -0.00365 -0.00044 0.00032 -0.00256 -0.00718 0.00165 0.01152 -0.00054 0.00557 0.00143 0.00233 -0.00342 0.00391 0.00862 0.00267 0.00866 0.00486 0.00056 -0.01931 -0.02256 0.00225 0.00643 -0.00993 -0.01982 -0.00435 -0.01905 -0.00251 -0.00209 0.02304 0.05648 0.01334 -0.14020 -0.00855 -0.05306 -0.00622 -0.06478 -0.01266 -0.00534 -0.01496 0.01256 -0.09229 0.13569 -0.18857 0.02332 0.00664 -0.10356 -0.07217 -0.10143 0.04669 0.01549 0.03142 -0.04612 0.03928 0.28818 0.04088 -0.14757 -0.19080 -0.30801 -0.01857 -0.02065 -0.00900 -0.01252 -0.04627 -0.02124 -0.03777 -0.01389 -0.13524 0.03524 0.31676 0.35188 0.05299 0.02601 0.06822 -0.00074 0.00236 -0.01413 0.03983 -0.00317 -0.05824 -0.23178 -0.18808 0.06446 -0.06190 0.05476 -0.00154 -0.02370 -0.11619 -0.11587 0.06560 0.02881 -0.03398 -0.02675 0.00917 0.18093 0.03852 -0.12518 -0.20858 -0.38757 -0.00888 -0.00588 0.02196 0.00448 0.00113 0.00218 -0.00966 -0.00088 -0.01197 0.00726 -0.00257 -0.00203 -0.00921 0.00097 -0.00514 -0.00462 0.00114 0.00906 -0.00149 -0.00992 -0.00137 0.00021 0.00122 -0.00458 -0.00216 -0.00156 0.01699 -0.00060 0.02022 -0.01312 0.01470 -0.00155 0.00292 -0.01872 -0.00631 0.00044 -0.00523 0.00161 -0.00497 0.00482 -0.00361 -0.01069 0.02332 -0.00123 0.00593 0.01375 0.00243 0.02218 0.00397 -0.00016 -0.00625 0.00456 -0.00277 0.12052 -0.08211 -0.01312 0.00017 -0.01142 -0.00034 -0.00288 0.00240 -0.01729 0.07803 0.13647 -0.08426 -0.01345 0.00557 -0.00340 0.02724 -0.00242 0.16148 -0.77070 0.63790 0.00066 0.00214 0.00137 -0.00024 0.00104 -0.00040 0.00095 0.00048 -0.00673 -0.00142 0.00308 -0.00087 0.00126 -0.00194 -0.00102 -0.00136 0.00375 -0.00232 0.00313 -0.00445 -0.00091 0.00047 0.00325 -0.00640 -0.00380 -0.00489 0.01147 -0.00367 -0.00192 0.00066 -0.00686 -0.05884 -0.00895 -0.00300 -0.00251 -0.01296 0.00079 0.05506 0.02419 -0.03585 0.01412 0.12114 0.02003 0.00546 0.00918 0.01733 -0.00346 -0.04048 -0.04346 0.03653 -0.00085 -0.11210 -0.03791 0.01176 -0.05141 0.09713 0.00217 -0.37491 -0.12523 -0.13603 -0.02182 -0.19752 -0.03045 -0.00615 -0.01859 -0.01308 -0.00548 0.07841 0.05718 0.01126 0.01534 0.06609 -0.00162 0.02847 -0.03431 0.17042 0.00094 -0.33203 -0.12006 -0.05157 0.02137 0.10438 0.01395 0.00454 -0.00981 0.12138 -0.01287 -0.56500 -0.25543 0.22090 0.00479 0.03130 0.00280 -0.00670 0.01687 0.02075 0.04810 -0.34006 -0.12029 -0.20710 0.00449 0.02959 -0.00436 0.01380 0.00155 -0.01693 0.01844 0.17675 0.06872 0.19245 0.00289 -0.00282 0.00300 0.03637 -0.01260 0.19038 0.03942 -0.36411 -0.09664 -0.09644 -0.00125 -0.00882 -0.00186 0.00549 -0.00695 0.01140 -0.00306 -0.00230 -0.00077 0.00478 -0.00028 0.00496 -0.00555 -0.00991 -0.00240 -0.01258 -0.00440 -0.01373 -0.00103 0.00989 -0.00335 -0.01540 -0.00189 -0.00956 0.00590 -0.01761 0.00194 0.00304 0.00155 0.00634 -0.00843 -0.00578 -0.00263 0.00118 -0.00482 0.00482 -0.00237 0.00217 0.00549 0.01460 0.00135 0.02260 0.00331 -0.00069 0.00236 -0.00289 -0.00147 0.00431 0.00415 0.00734 -0.00326 -0.00457 -0.00741 -0.00289 0.01680 0.01055 0.02541 0.00929 -0.05098 -0.02427 0.00983 0.01148 0.01789 0.00607 -0.03783 -0.02223 -0.05306 -0.01734 0.06203 0.04638 -0.10077 -0.00280 -0.08296 -0.01275 0.02191 0.02418 0.03478 -0.04671 0.08306 0.06340 0.03131 0.06719 -0.05725 0.01414 -0.08318 0.01705 -0.02915 0.02285 -0.07158 -0.01560 -0.00650 0.02606 0.01745 0.00099 -0.06796 -0.05203 -0.06142 0.02303 -0.06145 -0.07411 0.00427 0.01235 0.04313 0.01089 -0.05904 -0.07634 -0.21733 -0.17757 0.81285 0.33404 -0.04969 -0.00217 -0.02596 -0.00659 0.00441 0.00298 -0.00423 -0.15816 0.23750 0.22383 0.01352 0.03065 -0.02251 0.01271 -0.02689 0.02942 -0.02706 0.09543 -0.18556 -0.06214 -0.01220 -0.00277 0.01051 0.00171 -0.02290 -0.07480 -0.07217 0.10202 -0.23338 -0.27165 0.00752 0.00242 0.00249 0.00118 -0.00431 -0.00145 -0.00503 -0.00049 0.00705 0.00389 0.00299 -0.00140 0.00281 0.00007 0.00685 -0.00050 -0.00017 -0.00006 -0.00142 -0.00742 -0.00257 -0.00474 0.01169 0.00057 0.01573 0.00284 0.00460 -0.00505 0.00260 0.00378 -0.00597 0.00381 -0.01262 -0.00104 -0.01042 0.00218 0.00371 0.00338 -0.00039 0.00380 -0.00096 -0.00034 -0.00168 -0.00007 -0.00108 0.00078 -0.00116 0.00377 -0.00137 -0.00049 0.05042 0.02330 -0.01565 0.00734 -0.03851 -0.00588 -0.02269 0.00769 -0.01627 -0.01898 0.04029 0.00377 -0.03312 -0.00057 -0.03777 -0.06324 0.01727 0.04569 -0.20699 -0.17856 -0.00126 0.00054 -0.00145 0.00076 -0.00133 0.00169 -0.00196 0.00126 0.00180 0.00334 -0.00161 -0.00039 -0.00085 -0.00017 -0.00062 -0.00085 -0.00010 -0.00089 -0.00178 -0.00262 0.00139 0.00098 -0.00007 0.00009 -0.00146 -0.00098 -0.00010 -0.00108 -0.00146 -0.00122 -0.07067 0.01196 -0.07390 -0.00781 -0.02804 0.01312 0.02025 0.01052 -0.02248 -0.00115 -0.07152 0.01144 -0.09951 -0.01249 -0.02806 0.04014 0.12303 0.23769 -0.57126 -0.34922 0.00151 -0.00045 0.00123 -0.00004 0.00068 0.00021 0.00105 0.00005 -0.00200 -0.00052 0.00125 0.00125 -0.00077 0.00027 -0.00165 0.00035 -0.00085 0.00129 -0.00170 -0.00079 -0.00018 0.00042 0.00105 -0.00007 -0.00055 -0.00162 -0.00134 0.00179 -0.00434 -0.00580 -0.00013 -0.05067 0.07815 -0.00193 0.08955 -0.00258 0.01269 -0.01733 -0.00655 -0.00764 -0.00014 -0.05899 0.09210 0.00913 0.15521 0.06201 0.04679 0.11514 -0.53689 -0.21900 -0.00218 -0.00077 -0.00024 -0.00054 0.00128 -0.00073 0.00119 -0.00232 0.00324 0.00203 0.00054 -0.00106 0.00135 0.00018 0.00104 0.00014 -0.00030 0.00044 0.00252 0.00209 -0.00022 -0.00018 0.00060 0.00009 -0.00085 -0.00096 -0.00197 0.00282 -0.00446 -0.00303 -0.00549 -0.00404 0.01452 -0.00027 0.00484 -0.00925 -0.00848 0.02660 -0.07549 -0.00398 0.01303 0.00863 -0.03465 0.00217 -0.01129 0.02755 0.01561 -0.03898 0.08848 0.01490 -0.07479 0.00265 0.02856 -0.00725 -0.03470 -0.01595 -0.01988 -0.03187 0.08141 0.07093 0.08377 0.04329 -0.10196 -0.00753 -0.07205 0.02376 0.03058 0.01429 -0.13256 0.01255 -0.04579 0.01496 0.01997 0.01577 0.00240 0.01378 -0.03208 -0.01237 0.03973 0.09695 0.01714 0.01111 -0.04535 -0.00122 -0.00561 0.05969 0.08062 -0.42143 1.18045 0.10662 -0.04486 0.00268 0.00260 0.00839 -0.01877 0.04444 -0.05864 -0.03796 0.25640 0.17688 0.03620 0.01212 -0.04851 -0.00018 -0.01480 0.03417 0.04139 0.18284 -0.33564 -0.04331 -0.01908 0.01101 -0.00265 0.01473 0.00764 0.05365 -0.03706 -0.03809 0.14519 0.36227 0.00575 0.00398 -0.00749 0.00034 -0.01012 -0.00002 -0.00243 0.00037 0.00572 -0.00244 -0.00095 0.00093 -0.00539 -0.00083 -0.00631 -0.00058 -0.00140 0.00127 -0.00090 0.00653 -0.00492 -0.00012 0.00009 0.00022 -0.00241 -0.00075 -0.00149 0.00400 -0.00557 -0.00670 -0.00357 0.00533 -0.01014 -0.00154 -0.01908 -0.00540 -0.00435 0.00014 -0.00626 -0.00246 -0.00013 -0.00019 0.00144 0.00015 0.00033 0.00170 0.00231 0.00251 -0.00535 -0.00198 -0.03073 -0.03898 0.07074 0.00701 0.09183 0.01220 0.00811 0.01558 -0.00674 0.00505 -0.02664 -0.05330 0.09479 0.01402 0.15076 0.05474 0.01571 0.29872 -0.73341 0.07967 -0.00244 0.00009 0.00144 -0.00036 0.00004 -0.00138 -0.00052 -0.00225 0.00763 -0.00113 -0.00084 -0.00066 0.00032 0.00025 0.00083 0.00043 -0.00049 0.00151 0.00241 -0.00242 -0.00099 0.00003 0.00134 0.00016 0.00083 -0.00021 -0.00020 -0.00166 0.00497 0.00470 -0.04484 0.01511 -0.01926 -0.00757 -0.06286 -0.01925 -0.01156 -0.00393 -0.04594 0.00680 -0.04567 0.01342 -0.01727 -0.01755 -0.07947 -0.10277 -0.00574 0.19490 -0.72414 -0.25938 0.00066 -0.00040 0.00054 0.00020 0.00100 -0.00014 -0.00082 0.00126 -0.00312 -0.00117 0.00188 0.00063 -0.00177 -0.00009 -0.00046 0.00118 0.00183 0.00161 -0.00481 -0.00198 -0.00008 0.00047 0.00018 0.00031 -0.00081 0.00004 -0.00174 -0.00068 0.00266 0.00490 0.01650 0.02165 -0.02620 0.00928 -0.02138 0.00908 -0.00745 0.00367 -0.00632 -0.03157 0.01509 0.01733 -0.00467 -0.00130 -0.04781 -0.07033 -0.02187 0.13727 -0.34696 -0.31535 -0.00118 0.00067 -0.00131 0.00051 -0.00047 0.00216 -0.00047 0.00001 0.00305 0.00338 0.00095 0.00057 -0.00109 -0.00017 -0.00140 -0.00054 -0.00083 0.00095 -0.00224 -0.00243 -0.00116 -0.00049 0.00070 -0.00008 0.00036 -0.00011 -0.00027 0.00012 0.00066 0.00116 0.01040 0.01338 -0.02252 -0.00360 -0.03304 -0.01106 -0.00480 0.02376 -0.01252 -0.06141 -0.02102 -0.02750 0.04769 0.00724 0.06708 0.01889 0.01091 -0.04636 0.01919 0.11870 0.19029 0.00603 0.11232 0.01241 0.13457 0.02282 0.02003 -0.02708 0.05683 -0.04024 -0.05519 -0.11540 0.26381 0.02337 0.37528 0.05041 0.05934 -0.07286 0.01457 0.01298 0.02864 -0.04225 0.00127 -0.00371 0.12909 0.02047 0.01699 -0.01383 -0.00422 0.01266 -0.08107 -0.08027 0.09195 0.02125 0.15593 0.10485 0.02239 -0.24941 0.25779 0.74143 0.13370 0.01838 0.08797 0.00421 0.11698 0.03300 0.05261 -0.01606 0.00783 -0.02515 -0.03219 -0.09000 0.21693 0.01235 0.32028 0.03079 0.08921 -0.15533 0.05453 -0.04196 0.01124 -0.03224 0.01572 0.00084 0.10535 0.01570 -0.03192 0.01683 -0.00787 -0.00238 0.00507 0.00092 0.00424 0.00078 0.00158 -0.00023 -0.00057 -0.00323 -0.00350 0.00884 0.00148 -0.00087 -0.01209 -0.00176 0.00382 0.01143 0.01923 0.00232 -0.00099 0.00014 -0.00316 -0.00085 0.00302 0.00101 -0.00433 -0.00251 -0.00617 0.01036 0.00079 -0.00062 -0.00737 -0.00045 0.00146 -0.00005 0.00213 0.00008 0.00139 -0.00513 0.00561 0.00452 -0.00589 0.00543 -0.00596 -0.00071 -0.00255 0.00147 0.00385 0.00848 -0.00965 -0.00442 -0.03171 -0.03282 -0.09215 -0.03354 -0.08598 -0.03155 -0.00393 -0.02579 0.04383 0.07478 -0.03250 -0.04152 -0.13409 -0.05855 -0.16270 -0.14665 -0.07927 -0.05225 0.28075 0.65707 -0.00040 -0.00210 -0.00009 -0.00096 0.00199 -0.00662 0.00204 0.01558 0.00546 -0.00139 0.00140 0.00171 0.00163 0.00103 0.00034 0.00210 -0.00021 -0.01032 -0.00312 0.00567 0.00071 0.00011 0.00180 0.00113 0.00159 -0.00113 0.00002 0.01290 0.00468 0.00072 -0.03049 -0.04808 -0.04351 -0.02895 -0.01154 -0.04320 0.01202 0.12282 0.03219 -0.07642 -0.03262 -0.05481 -0.01321 -0.01469 0.05090 -0.05770 0.04557 0.67816 -0.10062 -0.55555 -0.00007 -0.00178 -0.00023 -0.00129 0.00202 -0.00546 0.00291 0.01236 0.00283 0.00043 -0.00182 -0.00066 -0.00908 -0.00237 -0.01067 -0.00301 -0.00043 -0.00083 0.00165 0.00193 -0.00011 -0.00093 -0.00120 -0.00017 -0.00184 -0.00269 -0.00142 0.01278 0.00518 0.00325 0.00147 0.00531 -0.00154 -0.00356 0.00060 -0.01000 0.00030 -0.00884 -0.00904 0.00362 -0.00331 -0.01164 0.00356 0.00683 -0.00153 0.02244 -0.00238 0.01368 0.02055 -0.00640 0.01319 0.11271 0.02308 -0.04540 0.04447 -0.07960 -0.00593 0.09230 0.03319 0.06349 0.07695 0.16981 0.00588 -0.03645 0.02802 -0.02635 0.00937 -0.02219 -0.04042 -0.05964 -0.00566 -0.02781 0.02384 0.00651 0.01835 -0.01615 -0.00633 0.13761 0.04503 0.01201 -0.00713 -0.03001 0.00690 0.02579 -0.00528 0.07465 0.00345 0.09345 0.06863 -0.03228 0.00809 0.07523 0.01678 -0.03560 0.03258 -0.07514 -0.01119 0.09420 0.02596 0.06991 0.05506 0.12117 0.00368 -0.02818 0.01818 -0.01705 0.00245 -0.03539 -0.03493 -0.06154 -0.00409 -0.01656 0.01973 0.00407 0.01607 -0.01482 -0.00711 0.15221 0.05506 0.01204 0.00014 -0.00021 0.00045 -0.00048 -0.00020 0.00270 -0.00105 -0.00947 -0.00229 -0.00134 -0.00003 0.00170 -0.00018 -0.00039 -0.00006 0.00067 -0.00014 -0.00087 -0.00122 0.00185 0.00185 0.00194 -0.00079 -0.00140 -0.00028 -0.00134 -0.00063 0.00044 0.00081 0.00077 -0.00059 -0.00196 -0.00060 0.00001 -0.00052 -0.00207 -0.00061 0.00630 0.00385 0.00477 -0.00107 -0.00070 0.00000 0.00017 -0.00008 -0.00141 0.00034 -0.00201 0.00032 0.00276 0.00094 0.00434 -0.00110 0.00245 -0.00271 0.00552 0.00046 -0.00557 -0.00037 0.02734 -0.00175 -0.00994 0.00293 -0.00480 0.00634 -0.00986 -0.00175 0.01065 -0.00130 -0.06239 0.00883 0.07893 0.04409 0.02030 0.04788 -0.03221 0.00981 0.14962 0.02993 0.01574 -0.00618 0.15868 0.00990 0.04363 -0.01864 0.04592 0.00249 -0.01754 -0.00239 0.07083 0.01279 -0.04648 0.01904 -0.04115 0.04016 -0.06458 -0.00978 0.11968 0.02663 0.02685 -0.00616 -0.02370 0.00432 -0.01819 0.01459 -0.05360 -0.00280 0.04857 0.01125 -0.21667 0.00498 0.05797 0.03485 0.01403 0.03511 -0.02833 -0.00343 0.14646 0.03475 0.00740 -0.00392 0.10649 0.00727 0.03277 -0.01524 0.04563 -0.00080 -0.03222 -0.00711 0.09200 0.00894 -0.03691 0.01323 -0.03291 0.03196 -0.06571 -0.00815 0.12631 0.02877 0.05143 -0.00036 0.00113 -0.00042 0.00053 -0.00069 -0.00109 -0.00020 0.00367 0.00170 0.00099 0.00010 -0.00103 -0.00051 -0.00165 -0.00020 -0.00192 -0.00124 -0.00063 0.00039 0.00583 -0.00091 -0.00074 -0.00042 0.00012 -0.00057 -0.00268 -0.00082 0.00689 0.00340 0.00009 0.00009 0.00160 -0.00010 0.00074 -0.00020 -0.00122 0.00056 -0.00313 -0.00101 0.00375 0.00025 0.00091 -0.00058 -0.00030 0.00018 -0.00268 0.00167 0.00813 0.00247 0.00365 1 H 1S 2S 3PX 3PY 3PZ 2 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 3 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 4 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 5 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 6 H 1S 2S 3PX 3PY 3PZ 7 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 8 H 1S 2S 3PX 3PY 3PZ 9 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 10 H 1S 2S 3PX 3PY 3PZ 11 B 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 12 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 13 H 1S 2S 3PX 3PY 3PZ 14 H 1S 2S 3PX 3PY 3PZ 15 H 1S 2S 3PX 3PY 3PZ 16 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 17 H 1S 2S 3PX 3PY 3PZ 18 H 1S 2S 3PX 3PY 3PZ 19 H 1S 2S 3PX 3PY 3PZ 20 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 21 H 1S 2S 3PX 3PY 3PZ 22 H 1S 2S 3PX 3PY 3PZ 23 F 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 24 F 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 1 H 1S|2S|3PX|3PY|3PZ|2 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|3 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|4 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|5 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|6 H 1S|2S|3PX|3PY|3PZ|7 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|8 H 1S|2S|3PX|3PY|3PZ|9 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|10 H 1S|2S|3PX|3PY|3PZ|11 B 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|12 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|13 H 1S|2S|3PX|3PY|3PZ|14 H 1S|2S|3PX|3PY|3PZ|15 H 1S|2S|3PX|3PY|3PZ|16 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|17 H 1S|2S|3PX|3PY|3PZ|18 H 1S|2S|3PX|3PY|3PZ|19 H 1S|2S|3PX|3PY|3PZ|20 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|21 H 1S|2S|3PX|3PY|3PZ|22 H 1S|2S|3PX|3PY|3PZ|23 F 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|24 F 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2 0.53240 0.32289 0.00746 0.00198 0.00260 1.99654 0.67740 0.74476 0.74148 0.57912 0.49000 0.24901 0.19294 0.41164 0.00355 0.00303 0.00581 0.01247 0.00980 1.99656 0.67995 0.75424 0.73602 0.56028 0.51298 0.20278 0.28459 0.41438 0.00295 0.00668 0.00336 0.01111 0.01224 1.99653 0.68010 0.75328 0.73590 0.56739 0.50649 0.21353 0.24983 0.40570 0.00297 0.00604 0.00419 0.00998 0.01225 1.99688 0.66758 0.75760 0.74467 0.58380 0.53678 0.16956 0.16193 0.41786 0.00280 0.00519 0.00376 0.00933 0.00928 0.53278 0.32007 0.00272 0.00647 0.00277 1.99653 0.67623 0.75655 0.72317 0.59310 0.48497 0.18338 0.24867 0.42938 0.00291 0.00619 0.00338 0.00966 0.01146 0.53270 0.31965 0.00386 0.00525 0.00289 1.99663 0.68087 0.67646 0.75314 0.60159 0.41177 0.08848 0.16171 0.38463 0.00481 0.00770 0.00659 0.01810 0.01962 0.53086 0.33091 0.00283 0.00646 0.00309 1.99632 0.52136 0.39202 0.54981 0.36141 0.13885 0.09947 0.09401 0.09901 0.02975 0.02988 0.03234 0.03127 0.03317 1.99643 0.65764 0.71470 0.72766 0.64208 0.56388 0.32370 0.34076 0.20312 0.01059 0.00767 0.01257 0.01140 0.00265 0.52554 0.30846 0.00273 0.00480 0.00401 0.52932 0.32394 0.00687 0.00236 0.00156 0.52759 0.34585 0.00224 0.00637 0.00209 1.99636 0.65637 0.71962 0.68966 0.67940 0.56230 0.33454 0.27477 0.25978 0.01112 0.00722 0.00847 0.01475 0.00368 0.52810 0.34397 0.00224 0.00671 0.00192 0.52866 0.31930 0.00677 0.00213 0.00189 0.52759 0.31427 0.00299 0.00215 0.00573 1.99721 0.75106 0.78050 0.95676 0.76307 0.86331 0.38075 0.60762 0.36767 0.00945 0.00867 0.00823 0.00888 0.00507 0.54408 0.48695 0.00075 0.00612 0.00129 0.46820 0.42369 0.00121 0.01271 0.00055 1.99732 0.92785 1.09789 1.16520 1.06585 1.00516 0.66982 0.71993 0.63849 0.00340 0.00381 0.00180 0.00136 0.00114 1.99732 0.92839 1.13523 1.05716 1.13573 1.00253 0.71546 0.60776 0.71102 0.00147 0.00064 0.00319 0.00309 0.00332 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 H C C C C H C H C H B C H H H C H H H N H H F F 0.132667 -0.117548 -0.178111 -0.144211 -0.067005 0.135195 -0.125594 0.135652 0.187913 0.125853 0.591343 -0.214829 0.154469 0.135953 0.115863 -0.218048 0.117059 0.141250 0.147268 -0.508247 -0.039194 0.093639 -0.299021 -0.302316 -0.00000 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] alpha 41 42 43 44 45 46 47 48 49 50 O O O O O V V V V V -0.428013 -0.408076 -0.341797 -0.331068 -0.299386 0.050829 0.066716 0.139169 0.169312 0.177610 1.500678 1.815827 1.346459 1.151763 1.543865 1.388679 1.385828 1.562908 1.013090 1.158696 5.877203341082D+02 0.3666 -3.6071 1.0647 3.7788 -59.2327 -77.2254 -71.8361 -17.9819 5.9443 -0.0648 10.1987 -7.7940 -2.4047 -17.9819 5.9443 -0.0648 -761.6269 -167.1647 8.8250 -327.8397 -131.6867 36.7222 -292.1259 -47.3842 9.3543 6.9447 -7526.0806 -1335.7567 -329.3138 -959.4335 269.1032 -683.2816 133.5006 90.9550 131.2546 -1781.9614 -1453.6026 -264.0173 94.4095 67.9105 -196.8488 0 -591.2683985 5.346E-9 0.002563 7.5824714,-5.7946273,-1.7878441,-13.3690895,4.4194289,-0.0481972 C01 [X(C8H12B1F2N1)] 0.1442477 -1.4191518 0.4188959 -0.000000883 -0.000004665 -0.000001017 0.000004628 0.000003921 -0.000002413 -0.000010910 0.000011738 -0.000004956 0.000007020 -0.000000722 -0.000000293 0.000017378 -0.000026298 0.000015886 0.000000674 -0.000002707 -0.000000399 -0.000005971 -0.000009563 0.000001442 -0.000000540 -0.000001286 -0.000000967 -0.000020042 0.000007739 -0.000001135 0.000001709 0.000000364 0.000000191 -0.007758908 0.000461539 -0.008038445 -0.000006943 -0.000006156 0.000005725 0.000003362 0.000003813 -0.000000155 0.000001235 0.000000243 0.000001423 -0.000000263 0.000002578 -0.000001557 0.000004335 -0.000001051 0.000003165 0.000000388 0.000001000 -0.000000119 -0.000001833 0.000004132 0.000002328 -0.000002596 -0.000000658 0.000000213 -0.000669899 -0.004434481 -0.001050663 0.009222992 -0.007475064 0.007071278 -0.000771185 0.011456126 0.001987090 -0.000006724 0.000004447 0.000002049 -0.000007025 0.000005012 0.000011328 158.90010639999997 AuxInfo=1/0/N:12,16,2,4,3,7,5,9,11,23,24,20;21;22/E:(1,2)(10,11);;/CRV:3.3,4.3,5.3,6.3,7.3,8.3;;/rA:24nHC3C3C3C3HC3HC3HBCHHHCHHHNH0H0FF/rB:s1;s2;s2;s3;s3;s4;s4;s5s7;s7;s5;;s12;s12;s12;;s16;s16;s16;s9s12s16;;;s11;s11;/rC:.3069,.4912,.1593;1.3838,.3579,.1608;2.2211,1.4145,-.1816;1.9399,-.8647,.524;3.613,1.27,-.1942;1.7874,2.3786,-.4324;3.3213,-1.0312,.5322;1.2984,-1.695,.8029;4.159,.0228,.1628;3.7436,-1.9878,.8214;4.4975,2.5236,-.5332;6.1689,-.3905,-1.1268;5.7806,.3038,-1.8703;7.2544,-.2668,-1.0721;5.9472,-1.4205,-1.4464;6.1287,-.9758,1.2145;5.9868,-2.0449,.9922;7.2037,-.7932,1.2987;5.6615,-.7507,2.1756;5.587,-.0977,.185;5.7012,2.4513,.7059;5.8597,1.6834,.6031;5.3287,2.544,-1.5949;4.0964,3.7345,-.1051; Gaussian 16 GINC-IRENE3800 ZOUBRITL Me_F-TS1 DZ ES64L-G16RevC.01 14-Apr-2021 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 RwB97XD GenECP FTS # WB97XD/GenECP SCRF=(Solvent=toluene,PCM) OptCyc=300 SCFCyc=300 NoSymm Freq Opt=(MaxStep=6,CalcFC,TS,NoEigenTest,NoFreeze) Pop=(Regular,Orbitals=20) Guess=TCheck Geom=Check 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 158.90010639999997 AuxInfo=1/0/N:12,16,2,4,3,7,5,9,11,23,24,20;21;22/E:(1,2)(10,11);;/CRV:3.3,4.3,5.3,6.3,7.3,8.3;;/rA:24nHC3C3C3C3HC3HC3HBCHHHCHHHNH0H0FF/rB:s1;s2;s2;s3;s3;s4;s4;s5s7;s7;s5;;s12;s12;s12;;s16;s16;s16;s9s12s16;;;s11;s11;/rC:.3069,.4912,.1593;1.3838,.3579,.1608;2.2211,1.4145,-.1816;1.9399,-.8647,.524;3.613,1.27,-.1942;1.7874,2.3786,-.4324;3.3213,-1.0312,.5322;1.2984,-1.695,.8029;4.159,.0228,.1628;3.7436,-1.9878,.8214;4.4975,2.5236,-.5332;6.1689,-.3905,-1.1268;5.7806,.3038,-1.8703;7.2544,-.2668,-1.0721;5.9472,-1.4205,-1.4464;6.1287,-.9758,1.2145;5.9868,-2.0449,.9922;7.2037,-.7932,1.2987;5.6615,-.7507,2.1756;5.587,-.0977,.185;5.7012,2.4513,.7059;5.8597,1.6834,.6031;5.3287,2.544,-1.5949;4.0964,3.7345,-.1051; NProcShared=64 Mem=60GB OldChk=Me_F-TS1_init_DZ.chk Chk=Me_F-TS1_DZ.chk # WB97XD/GenECP SCRF=(Solvent=toluene,PCM) OptCyc=300 SCFCyc=300 NoSym 1/5=1,6=300,8=6,10=4,11=1,18=20,26=3,29=2002,38=1/1,3 2/9=110,12=2,15=1,40=1/2 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,70=2201,71=2,72=13,74=-58,116=-2,140=1/1,2,3 4/5=101/1 5/5=2,7=300,38=6,53=13/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1,31=1/1,2,10 10/6=1,13=1,31=1/2 6/28=1,96=20/1 7/10=1,25=1,30=1/1,2,3,16 1/5=1,6=300,8=6,10=4,11=1,18=20,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=7,6=1,11=2,14=-2,16=1,17=8,25=1,30=1,70=2205,71=1,72=13,74=-58,82=7/1,2,3 4/5=5,16=3,69=1/1 5/5=2,7=300,38=5,53=13/2 7/30=1/1,2,3,16 1/5=1,6=300,8=6,11=1,18=20,26=3/3(-5) 2/9=110,15=1/2 6/19=2,28=1,96=20/1 99/9=1/99 Me_F-TS1 DZ Redundant internal coordinates found in file. (old form). Structure from the checkpoint file: "Me_F-TS1_DZ.chk" Charge = 0 Multiplicity = 1 Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 1 2 2 3 3 4 4 5 5 7 7 9 11 11 11 11 12 12 12 12 16 16 16 16 20 21 2 3 4 5 6 7 8 9 11 9 10 20 21 22 23 24 13 14 15 20 17 18 19 20 22 22 1.0852 1.391 1.3914 1.3994 1.0864 1.3914 1.0857 1.4075 1.5712 1.3962 1.0849 1.4333 1.729 1.9628 1.3485 1.3456 1.0888 1.0939 1.101 1.4647 1.1011 1.0937 1.092 1.4575 1.8498 0.7908 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 1 1 3 2 2 5 2 2 7 3 3 9 4 4 9 5 5 7 5 5 5 5 21 21 22 22 23 13 13 13 14 14 15 17 17 17 18 18 19 9 9 9 12 12 16 11 2 2 2 3 3 3 4 4 4 5 5 5 7 7 7 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 16 16 16 16 16 16 20 20 20 20 20 20 22 3 4 4 5 6 6 7 8 8 9 11 11 9 10 10 7 20 20 21 22 23 24 23 24 23 24 24 14 15 20 15 20 20 18 19 20 19 20 20 12 16 22 16 22 22 20 120.2518 120.3248 119.4167 121.4992 119.3759 119.1196 120.2322 120.193 119.5748 118.3635 118.6498 122.9098 120.2475 119.5742 120.1771 120.2228 117.7082 122.0173 101.7653 85.6572 121.9374 118.7856 97.8018 90.9815 91.9761 114.0729 114.8711 108.4179 109.0602 110.0261 108.6678 109.0738 111.5308 107.713 108.8286 113.2299 108.5655 108.6058 109.7826 113.4962 115.5892 93.9799 111.384 109.6528 111.4503 100.3107 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A47 A48 20 20 22 22 21 21 1 1 -1 -2 159.754 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 184.8737 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 1 1 4 4 1 1 3 3 2 2 6 6 2 2 8 8 3 3 11 11 3 3 3 3 9 9 9 9 4 4 10 10 5 5 5 7 7 7 5 23 24 13 13 13 14 14 14 15 15 15 17 17 17 18 18 18 19 19 19 9 12 16 2 2 2 2 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 7 7 7 7 9 9 9 9 9 9 11 11 11 12 12 12 12 12 12 12 12 12 16 16 16 16 16 16 16 16 16 20 20 20 3 3 3 3 4 4 4 4 5 5 5 5 7 7 7 7 9 9 9 9 11 11 11 11 11 11 11 11 9 9 9 9 20 20 20 20 20 20 22 22 22 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 22 22 22 5 6 5 6 7 8 7 8 9 11 9 11 9 10 9 10 7 20 7 20 21 22 23 24 21 22 23 24 5 20 5 20 12 16 22 12 16 22 20 20 20 9 16 22 9 16 22 9 16 22 9 12 22 9 12 22 9 12 22 11 11 11 -179.7127 1.1259 1.2276 -177.9337 -179.6505 0.343 -0.5916 179.4019 -0.5871 -177.4932 178.5763 1.6703 -0.665 179.7307 179.3415 -0.2628 -0.683 -178.1205 176.0827 -1.3548 133.6071 151.0357 -119.3418 35.8833 -43.1498 -25.7213 63.9012 -140.8736 1.3091 178.6333 -179.089 -1.7647 -84.2515 145.2817 29.1929 98.36 -32.1069 -148.1956 36.4708 -85.4139 156.1401 49.8048 -177.6622 -53.8231 168.6105 -58.8565 64.9826 -71.3566 61.1763 -174.9846 74.5959 -56.8757 -179.6899 -165.8105 62.718 -60.0962 -47.2489 -178.7205 58.4654 -40.2693 76.4243 -159.7754 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. saddle point Step number 32 out of a maximum of 144 All quantities printed in internal units (Hartrees-Bohrs-Radians) -0.01915 0.00138 0.00231 0.00522 0.00632 0.01244 0.01414 0.01690 0.01770 0.01796 0.01927 0.02077 0.02330 0.02553 0.02784 0.02898 0.03067 0.03415 0.04360 0.04907 0.04956 0.04997 0.05018 0.05951 0.06884 0.07523 0.10696 0.11272 0.12170 0.12365 0.12735 0.12906 0.13057 0.13657 0.14746 0.15951 0.17493 0.17524 0.18217 0.18816 0.19316 0.19736 0.20123 0.22207 0.24680 0.27033 0.32085 0.32275 0.34066 0.34315 0.34566 0.35116 0.36133 0.36342 0.36599 0.36763 0.36831 0.37018 0.37118 0.37974 0.40215 0.43702 0.45288 0.47980 0.48806 0.52106 4.805742870e-10 -2.52917274e-08 Linear search 1 2 0.00021437 0.00000004 0.00000004 0.00000001 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 2.05129 2.62980 2.63300 2.64164 2.05284 2.62942 2.05114 2.64635 3.00607 2.63148 2.05128 2.73820 2.87664 3.52211 2.59434 2.57397 2.05918 2.06550 2.07286 2.77938 2.07264 2.06487 2.06199 2.76724 2.77094 1.68395 2.09629 2.09318 2.09368 2.11592 2.08812 2.07911 2.09599 2.09798 2.08921 2.05197 2.13148 2.09942 2.07936 2.09583 2.10798 2.12931 2.01733 2.13619 1.80974 1.42361 2.04843 2.04159 1.76700 1.73448 1.68229 2.19439 1.99139 1.90095 1.91425 1.90298 1.90721 1.90073 1.93731 1.89188 1.90587 1.95890 1.90293 1.89591 1.90761 1.97233 2.01189 1.67232 1.96190 1.88258 1.93848 2.02138 2.93223 3.15186 -3.13647 0.01513 0.01321 -3.11836 -3.13475 0.00442 -0.00124 3.13794 -0.01116 -3.12579 3.12046 0.00584 -0.01215 3.13502 3.13184 -0.00417 -0.00265 -3.11605 3.11249 -0.00091 2.51692 2.82672 -1.83574 0.62864 -0.59698 -0.28718 1.33354 -2.48526 0.01424 3.12572 -3.13297 -0.02149 -1.59123 2.40240 0.36746 1.57867 -0.71087 -2.74581 0.54421 -1.49448 2.59100 0.92341 -3.04559 -0.90269 2.99557 -0.97343 1.16947 -1.18720 1.12698 -3.01330 1.27986 -1.01465 -3.12577 -2.91170 1.07698 -1.03414 -0.83728 -3.13179 1.04027 -0.58441 1.44821 -2.67779 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00002 0.00000 0.00000 0.00000 -0.00001 0.00016 0.00048 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00009 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00006 0.00005 0.00001 0.00001 -0.00001 -0.00001 0.00003 -0.00002 -0.00012 0.00003 -0.00000 0.00000 0.00024 -0.00016 0.00017 -0.00026 0.00004 -0.00001 -0.00001 0.00002 -0.00001 -0.00001 0.00001 0.00000 -0.00000 -0.00002 -0.00000 0.00001 0.00001 -0.00001 0.00006 0.00012 -0.00001 -0.00017 0.00001 -0.00012 -0.00046 -0.00019 0.00000 0.00004 0.00002 0.00006 -0.00003 -0.00001 -0.00005 -0.00003 0.00004 0.00014 0.00001 0.00010 0.00001 0.00004 -0.00000 0.00002 -0.00008 -0.00013 -0.00018 -0.00022 0.00014 0.00014 0.00035 0.00041 0.00024 0.00024 0.00045 0.00051 0.00006 0.00010 0.00003 0.00008 0.00022 0.00019 0.00008 0.00017 0.00014 0.00004 -0.00026 -0.00024 -0.00029 -0.00009 -0.00003 -0.00014 -0.00009 -0.00003 -0.00014 -0.00010 -0.00003 -0.00014 0.00048 0.00045 0.00067 0.00048 0.00045 0.00067 0.00050 0.00046 0.00068 0.00017 0.00017 0.00004 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00002 0.00000 0.00000 0.00000 -0.00001 0.00016 0.00048 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00009 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00006 0.00005 0.00001 0.00001 -0.00001 -0.00001 0.00003 -0.00002 -0.00012 0.00003 -0.00000 0.00000 0.00024 -0.00016 0.00017 -0.00026 0.00004 -0.00001 -0.00001 0.00002 -0.00001 -0.00001 0.00001 0.00000 -0.00000 -0.00002 -0.00000 0.00001 0.00001 -0.00001 0.00006 0.00012 -0.00001 -0.00017 0.00001 -0.00012 -0.00046 -0.00019 0.00000 0.00004 0.00002 0.00006 -0.00003 -0.00001 -0.00005 -0.00003 0.00004 0.00014 0.00001 0.00010 0.00001 0.00004 -0.00000 0.00002 -0.00008 -0.00013 -0.00018 -0.00022 0.00014 0.00014 0.00035 0.00041 0.00024 0.00024 0.00045 0.00051 0.00006 0.00010 0.00003 0.00008 0.00022 0.00019 0.00008 0.00017 0.00014 0.00004 -0.00026 -0.00024 -0.00029 -0.00009 -0.00003 -0.00014 -0.00009 -0.00003 -0.00014 -0.00010 -0.00003 -0.00014 0.00048 0.00045 0.00067 0.00048 0.00045 0.00067 0.00050 0.00046 0.00068 0.00017 0.00017 0.00004 2.05129 2.62980 2.63300 2.64164 2.05284 2.62942 2.05114 2.64637 3.00608 2.63148 2.05128 2.73819 2.87680 3.52259 2.59433 2.57395 2.05918 2.06550 2.07286 2.77938 2.07264 2.06488 2.06198 2.76722 2.77094 1.68386 2.09629 2.09318 2.09368 2.11592 2.08811 2.07911 2.09599 2.09798 2.08921 2.05197 2.13143 2.09947 2.07937 2.09584 2.10796 2.12930 2.01736 2.13617 1.80961 1.42364 2.04843 2.04159 1.76724 1.73432 1.68246 2.19414 1.99142 1.90094 1.91424 1.90300 1.90720 1.90073 1.93732 1.89188 1.90587 1.95888 1.90292 1.89592 1.90762 1.97232 2.01195 1.67244 1.96189 1.88241 1.93849 2.02126 2.93177 3.15167 -3.13647 0.01517 0.01324 -3.11830 -3.13478 0.00441 -0.00129 3.13790 -0.01112 -3.12565 3.12047 0.00594 -0.01214 3.13506 3.13184 -0.00415 -0.00273 -3.11617 3.11232 -0.00113 2.51706 2.82686 -1.83539 0.62905 -0.59674 -0.28695 1.33399 -2.48475 0.01430 3.12582 -3.13294 -0.02141 -1.59102 2.40259 0.36754 1.57885 -0.71073 -2.74578 0.54395 -1.49472 2.59071 0.92332 -3.04562 -0.90283 2.99547 -0.97346 1.16933 -1.18730 1.12695 -3.01345 1.28034 -1.01420 -3.12510 -2.91121 1.07743 -1.03347 -0.83679 -3.13133 1.04096 -0.58424 1.44838 -2.67775 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000012 0.000002 0.000922 0.000214 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.240550e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 1 2 2 3 3 4 4 5 5 7 7 9 11 11 11 11 12 12 12 12 16 16 16 16 20 21 2 3 4 5 6 7 8 9 11 9 10 20 21 22 23 24 13 14 15 20 17 18 19 20 22 22 1.0855 1.3916 1.3933 1.3979 1.0863 1.3914 1.0854 1.4004 1.5907 1.3925 1.0855 1.449 1.5223 1.8638 1.3729 1.3621 1.0897 1.093 1.0969 1.4708 1.0968 1.0927 1.0912 1.4644 1.4663 0.8911 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 1 1 3 2 2 5 2 2 7 3 3 9 4 4 9 5 5 7 5 5 5 5 21 21 22 22 23 13 13 13 14 14 15 17 17 17 18 18 19 9 9 9 12 12 16 11 2 2 2 3 3 3 4 4 4 5 5 5 7 7 7 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 16 16 16 16 16 16 20 20 20 20 20 20 22 3 4 4 5 6 6 7 8 8 9 11 11 9 10 10 7 20 20 21 22 23 24 23 24 23 24 24 14 15 20 15 20 20 18 19 20 19 20 20 12 16 22 16 22 22 20 120.1089 119.9306 119.959 121.2332 119.6404 119.124 120.0911 120.2056 119.7031 117.5691 122.125 120.2877 119.1387 120.0823 120.7782 122.0007 115.5843 122.3944 103.6903 81.5666 117.3664 116.9746 101.2416 99.3786 96.3881 125.7295 114.0981 108.9162 109.6785 109.0329 109.275 108.904 110.9999 108.3965 109.1985 112.2365 109.0297 108.6276 109.2981 113.0061 115.2729 95.8171 112.4084 107.864 111.0667 115.8165 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A47 20 22 21 1 -1 168.0043 -DE/DX|=|0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 1 1 4 4 1 1 3 3 2 2 6 6 2 2 8 8 3 3 11 11 3 3 3 3 9 9 9 9 4 4 10 10 5 5 5 7 7 7 5 23 24 13 13 13 14 14 14 15 15 15 17 17 17 18 18 18 19 19 19 9 12 2 2 2 2 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 7 7 7 7 9 9 9 9 9 9 11 11 11 12 12 12 12 12 12 12 12 12 16 16 16 16 16 16 16 16 16 20 20 3 3 3 3 4 4 4 4 5 5 5 5 7 7 7 7 9 9 9 9 11 11 11 11 11 11 11 11 9 9 9 9 20 20 20 20 20 20 22 22 22 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 22 22 5 6 5 6 7 8 7 8 9 11 9 11 9 10 9 10 7 20 7 20 21 22 23 24 21 22 23 24 5 20 5 20 12 16 22 12 16 22 20 20 20 9 16 22 9 16 22 9 16 22 9 12 22 9 12 22 9 12 22 11 11 -179.7067 0.8671 0.7572 -178.6691 -179.6082 0.2534 -0.0712 179.7904 -0.6397 -179.0943 178.7894 0.3348 -0.6964 179.6233 179.4412 -0.239 -0.1515 -178.5363 178.3328 -0.0519 144.2091 161.9591 -105.1801 36.0185 -34.2044 -16.4544 76.4064 -142.395 0.8161 179.0907 -179.5059 -1.2313 -91.171 137.6476 21.0542 90.4512 -40.7301 -157.3236 31.1809 -85.6275 148.4531 52.9075 -174.4995 -51.7202 171.6334 -55.7737 67.0057 -68.0218 64.5712 -172.6495 73.3306 -58.1352 -179.0935 -166.8279 61.7064 -59.2519 -47.9728 -179.4386 59.6031 -33.4845 82.9764 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 (5D, 7F) 1 1 No pseudopotential on this center. 2 6 No pseudopotential on this center. 3 6 No pseudopotential on this center. 4 6 No pseudopotential on this center. 5 6 No pseudopotential on this center. 6 1 No pseudopotential on this center. 7 6 No pseudopotential on this center. 8 1 No pseudopotential on this center. 9 6 No pseudopotential on this center. 10 1 No pseudopotential on this center. 11 5 No pseudopotential on this center. 12 6 No pseudopotential on this center. 13 1 No pseudopotential on this center. 14 1 No pseudopotential on this center. 15 1 No pseudopotential on this center. 16 6 No pseudopotential on this center. 17 1 No pseudopotential on this center. 18 1 No pseudopotential on this center. 19 1 No pseudopotential on this center. 20 7 No pseudopotential on this center. 21 1 No pseudopotential on this center. 22 1 No pseudopotential on this center. 23 9 No pseudopotential on this center. 24 9 No pseudopotential on this center. 24 24 24 1.00e+00 60 F 0.000000 1.085174 0.000000 2.152502 1.390955 0.000000 2.153667 1.391392 2.402470 0.000000 3.415017 2.434605 1.399443 2.805720 0.000000 2.470687 2.144214 1.086427 3.384754 2.149073 0.000000 3.397630 2.412822 2.775214 1.391444 2.430736 3.861352 0.000000 2.485323 2.152716 3.389693 1.085708 3.891410 4.284740 2.146188 0.000000 3.880525 2.795354 2.410563 2.417144 1.407461 3.395307 1.396163 3.397629 0.000000 4.288983 3.392314 3.860083 2.145534 3.414976 4.946129 1.084924 2.462775 2.156192 0.000000 4.708706 3.855751 2.556473 4.374855 1.571198 2.715874 3.892963 5.460403 2.617746 4.770333 0.000000 6.065856 5.011463 4.442529 4.564443 3.187379 5.229425 3.357302 5.398826 2.423528 3.497010 3.411350 0.000000 5.840869 4.843501 4.093263 4.674230 2.905358 4.724126 3.688094 5.588479 2.615661 4.079939 2.891573 1.088787 0.000000 7.096424 6.031089 5.380850 5.581112 4.048712 6.106959 4.315936 6.405439 3.345190 4.344313 3.959377 1.093929 1.770525 0.000000 6.168181 5.154655 4.849817 4.499985 3.775627 5.724062 3.310853 5.171704 2.805427 3.212602 4.300115 1.100992 1.783415 1.783222 0.000000 6.095832 5.040131 4.788724 4.246756 3.654661 5.728058 2.889608 4.900838 2.446022 2.620529 4.238013 2.413765 3.357753 2.645514 2.703948 0.000000 6.275954 5.258571 5.246510 4.241431 4.246265 6.263486 2.888602 4.705301 2.881710 2.250437 5.041354 2.694497 3.708400 3.004914 2.517563 1.101103 0.000000 7.107345 6.040779 5.647249 5.320975 4.402080 6.510979 3.964466 5.994300 3.350570 3.691482 4.656183 2.667635 3.642930 2.429076 3.083485 1.093670 1.772378 0.000000 5.854895 4.856642 4.699021 4.073189 3.727622 5.621595 2.873275 4.670365 2.628145 2.653743 4.406044 3.360538 4.182706 3.649539 3.694473 1.092038 1.783571 1.774594 0.000000 5.312977 4.227910 3.708186 3.742272 2.431287 4.577147 2.474951 4.617951 1.433272 2.715812 2.928139 1.464682 2.103087 2.095033 2.130994 1.457478 2.145375 2.082667 2.096227 0.000000 5.765422 4.829016 3.738141 5.017607 2.562444 4.076646 4.221629 6.048639 2.927596 4.852977 1.729041 3.413709 3.354821 3.600240 4.436647 3.490901 4.514297 3.624293 3.523397 2.604197 0.000000 5.696757 4.688984 3.731975 4.675931 2.419554 4.259035 3.717263 5.679757 2.417423 4.243091 1.962814 2.718334 2.833226 2.924845 3.720550 2.741844 3.750688 2.902367 2.904668 1.849769 0.790770 0.000000 5.701795 4.839796 3.595852 5.252894 2.555125 3.730912 4.619145 6.321574 3.288446 5.374813 1.348484 3.088046 2.301854 3.447017 4.015191 4.574019 5.308813 4.798440 5.018183 3.195859 2.332595 2.419418 0.000000 4.994988 4.339384 2.984104 5.118501 2.513040 2.697641 4.870259 6.175203 3.721863 5.807606 1.345588 4.728062 4.209750 5.188290 5.639032 5.297048 6.178916 5.667991 5.269572 4.122162 2.209048 2.796048 2.270528 0.000000 1.0256322 0.9087384 0.5521084 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 158.90010639999997 AuxInfo=1/0/N:12,16,2,4,3,7,5,9,11,23,24,20;21;22/E:(1,2)(10,11);;/CRV:3.3,4.3,5.3,6.3,7.3,8.3;;/rA:24nHC3C3C3C3HC3HC3HBCHHHCHHHNH0H0FF/rB:s1;s2;s2;s3;s3;s4;s4;s5s7;s7;s5;;s12;s12;s12;;s16;s16;s16;s9s12s16;;;s11;s11;/rC:.3081,.4809,.1419;1.3861,.354,.1491;2.2184,1.437,-.1177;1.9373,-.8931,.4356;3.6094,1.2987,-.1206;1.7835,2.4119,-.3191;3.3189,-1.0577,.4538;1.292,-1.7397,.6477;4.1355,.0335,.1685;3.7483,-2.028,.683;4.5809,2.5265,-.402;6.1519,-.4173,-1.1198;5.7686,.2657,-1.8775;7.2394,-.3185,-1.0714;5.8936,-1.449,-1.3879;6.1471,-.844,1.2817;5.9977,-1.9209,1.1366;7.2209,-.6489,1.335;5.6833,-.5409,2.2218;5.5818,-.0536,.1863;5.77,2.2615,.5108;5.8144,1.379,.3954;5.1926,2.5787,-1.63;4.1972,3.7411,.0803; 0.000000 1.085498 0.000000 2.151865 1.391631 0.000000 2.151493 1.393322 2.411341 0.000000 3.411196 2.430672 1.397894 2.812338 0.000000 2.473454 2.147559 1.086318 3.393591 2.147641 0.000000 3.395552 2.412773 2.785906 1.391430 2.442741 3.872058 0.000000 2.481013 2.154343 3.396376 1.085416 3.897751 4.290942 2.147304 0.000000 3.853620 2.768123 2.393159 2.400441 1.400387 3.380288 1.392519 3.385206 0.000000 4.292139 3.396870 3.871381 2.151397 3.425156 4.957489 1.085490 2.473361 2.159718 0.000000 4.768351 3.902582 2.617167 4.402699 1.590746 2.800974 3.895048 5.488084 2.595874 4.755335 0.000000 6.045585 4.991794 4.462640 4.517566 3.226045 5.265731 3.303403 5.337745 2.434875 3.409103 3.413013 0.000000 5.825916 4.829184 4.131905 4.622943 2.969149 4.786992 3.631417 5.517037 2.628038 3.987289 2.949337 1.089672 0.000000 7.081966 6.016882 5.403881 5.541919 4.086110 6.147145 4.271170 6.351861 3.360808 4.264727 3.950868 1.093015 1.776033 0.000000 6.104353 5.092243 4.842491 4.391598 3.791275 5.739485 3.189690 5.040095 2.776876 3.037469 4.301127 1.096908 1.787621 1.785899 0.000000 6.094970 5.038345 4.753550 4.294204 3.605210 5.674861 2.954625 4.977535 2.460828 2.741249 4.080164 2.439182 3.369755 2.646985 2.749079 0.000000 6.255421 5.236150 5.208843 4.246685 4.201216 6.217009 2.896109 4.734504 2.867855 2.297229 4.914584 2.715894 3.730707 2.997415 2.570365 1.096793 0.000000 7.105404 6.037933 5.611275 5.365096 4.353686 6.455154 4.021090 6.067423 3.368342 3.792872 4.479858 2.687459 3.642182 2.429037 3.133094 1.092684 1.775768 0.000000 5.853510 4.854178 4.625098 4.164969 3.629345 5.512135 2.997251 4.816491 2.634723 2.885069 4.184285 3.376566 4.178729 3.649089 3.728132 1.091156 1.783444 1.778226 0.000000 5.300930 4.215614 3.691463 3.748218 2.411055 4.556393 2.490115 4.632306 1.448990 2.739852 2.829184 1.470786 2.096638 2.097512 2.126672 1.464358 2.136093 2.088177 2.095492 0.000000 5.756668 4.794582 3.699895 4.964561 2.448252 4.074724 4.126566 6.006754 2.784362 4.745171 1.522252 3.159185 3.112393 3.364357 4.169958 3.221925 4.235054 3.354800 3.284610 2.345266 0.000000 5.584804 4.552013 3.632908 4.493956 2.265976 4.221968 3.488338 5.499257 2.163414 3.994862 1.863821 2.374119 2.531317 2.657790 3.344323 2.416215 3.387052 2.640723 2.653101 1.466320 0.891108 0.000000 5.603403 4.754303 3.526506 5.188113 2.534366 3.656188 4.590861 6.249038 3.290820 5.353205 1.372868 3.186866 2.396432 3.590982 4.095416 4.593889 5.343027 4.829295 4.980832 3.221632 2.239830 2.434745 0.000000 5.075228 4.402231 3.043731 5.168149 2.520194 2.784292 4.892842 6.229119 3.709182 5.817837 1.362084 4.749026 4.287269 5.202111 5.654311 5.125321 6.034543 5.476218 5.013030 4.040792 2.201884 2.879943 2.295006 0.000000 1.0229350 0.9036856 0.5626264 -10.31622 -10.30336 -10.30193 -10.29976 -10.29711 -10.28371 -6.94419 -1.30795 -1.27795 -1.04845 -0.95028 -0.85121 -0.84583 -0.81278 -0.75024 -0.71070 -0.67526 -0.64869 -0.61567 -0.60502 -0.59189 -0.57049 -0.55520 -0.55242 -0.54726 -0.52483 -0.51503 -0.49862 -0.49385 -0.48487 -0.48211 -0.47579 -0.46477 -0.45411 -0.44927 -0.42801 -0.40808 -0.34180 -0.33107 -0.29939 0.05083 0.06672 0.13917 0.16931 0.17761 0.20331 0.21752 0.22468 0.22865 0.24001 0.24533 0.24571 0.26709 0.27191 0.28283 0.28959 0.31712 0.32119 0.34337 0.36025 0.38380 0.39707 0.42206 0.43232 0.45750 0.53003 0.55102 0.56641 0.58224 0.59917 0.60944 0.61950 0.63280 0.63960 0.66090 0.66202 0.69512 0.69753 0.69984 0.71093 0.71520 0.73552 0.74470 0.75532 0.78696 0.79959 0.81127 0.83973 0.87218 0.89168 0.90450 0.91275 0.92081 0.92947 0.94459 0.95412 0.97934 0.98278 0.99395 1.01697 1.03065 1.04699 1.05625 1.06415 1.08757 1.11872 1.13147 1.15152 1.20408 1.21451 1.23545 1.26895 1.28372 1.29525 1.29809 1.31395 1.35226 1.37971 1.40482 1.41404 1.42630 1.42917 1.45132 1.48037 1.49806 1.50211 1.53180 1.53454 1.54195 1.58136 1.60054 1.62306 1.65292 1.67265 1.71305 1.76931 1.80743 1.83362 1.86589 1.88215 1.89314 1.92123 1.93491 1.95083 1.96059 1.98136 1.99474 2.00545 2.00973 2.02897 2.04780 2.05274 2.05709 2.07056 2.08149 2.09222 2.11610 2.12532 2.12878 2.13674 2.15412 2.17034 2.17841 2.19186 2.21129 2.21496 2.24303 2.28298 2.30350 2.35323 2.37502 2.39051 2.40173 2.40721 2.46060 2.46795 2.47161 2.48588 2.51342 2.51644 2.54161 2.56429 2.58347 2.59801 2.60411 2.64504 2.65762 2.67201 2.68679 2.71566 2.72286 2.73533 2.74738 2.75096 2.80659 2.82666 2.84161 2.87417 2.88439 2.89696 2.90205 2.94772 2.99877 3.01798 3.02575 3.12150 3.13838 3.17002 3.18707 3.28070 3.30799 3.32886 3.33826 3.37321 3.43075 3.45242 3.50316 3.51451 3.56413 3.58218 3.60797 3.97020 4.11463 41 42 43 44 45 46 47 48 49 50 O|O|O|O|O|V|V|V|V|V -0.42801 -0.40808 -0.34180 -0.33107 -0.29939 0.05083 0.06672 0.13917 0.16931 0.17761 -0.14902 -0.06036 -0.01035 0.00119 -0.00440 0.00223 0.00101 -0.01279 -0.04394 0.03325 -0.14669 -0.06281 -0.01085 -0.00000 -0.00364 0.00685 0.00391 -0.08874 -0.45317 0.45763 -0.00361 -0.00088 -0.00029 -0.00001 0.00022 -0.00031 -0.00041 0.00061 0.00289 -0.00303 -0.00110 0.00337 -0.00145 -0.00013 0.00182 -0.00171 -0.00329 0.00032 -0.00218 0.00082 0.00064 -0.00019 -0.00613 -0.00081 0.00514 -0.00503 -0.01045 -0.00550 -0.00190 -0.00173 -0.00327 -0.01050 -0.00119 0.00032 -0.00058 0.00340 0.00020 -0.01467 -0.02886 0.01318 0.01159 0.02345 0.00271 0.00059 0.00033 -0.00473 -0.00065 0.02653 0.05549 -0.01785 0.18491 0.11739 0.00730 -0.00235 0.01484 -0.01029 -0.00950 0.00824 -0.05460 0.10682 -0.13235 0.18095 -0.04793 -0.00898 0.08586 -0.05121 -0.08278 0.00230 -0.01327 0.00115 0.04125 -0.02074 -0.25336 -0.03283 0.19528 -0.13973 -0.27929 -0.12305 -0.04538 -0.03739 -0.00605 0.05288 0.00291 -0.01299 0.00935 -0.03885 -0.01199 0.18379 0.28927 -0.26116 0.06563 0.05553 0.00436 -0.00870 0.01582 -0.02512 -0.01619 0.01615 -0.20747 0.20159 -0.04917 0.08553 -0.03915 -0.01348 0.06263 -0.07748 -0.11526 -0.00032 0.04175 0.00972 0.01700 -0.00046 -0.17818 -0.02228 0.15120 -0.19395 -0.39248 -0.18537 -0.08672 -0.05693 0.00281 0.00122 0.00118 -0.00897 -0.00024 0.01250 -0.00769 0.00365 0.00448 -0.00317 0.00154 -0.00044 -0.00650 0.00113 0.00299 0.00036 0.00901 0.00523 0.00108 0.00279 -0.00427 -0.00134 -0.00156 0.01555 0.00013 -0.02081 0.01255 -0.00612 -0.00288 0.00315 -0.01809 -0.00462 -0.00108 -0.00482 -0.00042 0.00770 -0.00330 -0.00084 -0.01130 0.01276 -0.00164 0.00712 -0.00015 0.00089 0.00272 -0.00071 0.00354 -0.00175 0.00648 -0.00547 0.00436 0.00797 -0.00080 -0.00109 -0.00143 -0.00631 -0.00221 0.02493 -0.00759 0.04914 -0.01436 -0.01438 0.00143 0.00311 0.00299 0.01222 0.00407 -0.04943 0.00650 -0.10228 -0.21255 -0.14952 -0.02159 0.01467 0.00073 0.01209 0.01921 -0.06289 -0.03752 -0.00834 0.12275 -0.13932 -0.07025 0.07339 0.00675 -0.04800 0.08591 0.01140 0.03437 -0.07210 -0.02050 0.07458 -0.16025 0.25488 0.09807 -0.18762 0.29465 0.02810 0.02532 0.05464 -0.00302 -0.06061 -0.00031 0.02402 -0.00484 0.09434 0.02169 -0.29731 0.21402 -0.51884 -0.08259 -0.05998 -0.01288 0.00469 0.00561 0.00483 0.02734 -0.08379 0.06257 0.11539 0.04499 -0.02126 -0.04143 0.04524 0.01695 -0.07088 0.11387 0.04947 0.06983 -0.22077 -0.00687 0.02018 -0.11735 0.18930 0.06949 -0.22765 0.41666 0.00675 0.02468 0.09184 -0.00034 0.00197 -0.00397 -0.00103 0.00366 -0.00443 -0.00707 -0.00292 -0.00130 -0.00549 0.00245 -0.00518 0.00679 0.01248 -0.01113 0.02205 0.00942 0.00865 -0.00006 0.00141 -0.00511 -0.00097 0.00646 -0.00055 -0.00490 0.00511 0.01115 -0.00022 0.00274 -0.00483 -0.01595 0.00161 -0.00127 0.00085 0.00231 -0.00077 -0.00343 0.00061 0.00660 -0.00943 -0.00696 0.01689 0.00626 0.00393 0.00039 0.00597 0.00344 0.01102 0.00816 -0.00297 -0.00586 -0.00268 0.00485 0.00079 0.00560 0.00057 0.00138 -0.00467 -0.00914 0.04027 0.01244 0.00286 -0.01028 -0.00220 -0.01281 -0.00235 -0.00393 0.00822 0.00370 -0.06728 -0.17681 -0.02634 -0.04040 -0.01095 -0.02981 0.00687 -0.00122 0.01650 -0.07457 0.04648 0.15240 -0.09704 -0.05018 -0.09168 0.00655 0.09980 -0.00711 0.04012 -0.04342 0.09627 -0.03799 0.06291 -0.09295 -0.28528 0.07404 0.31521 -0.01466 0.12702 0.06563 -0.00757 0.00905 0.01757 -0.02734 -0.00143 -0.02740 -0.00565 -0.00804 0.06237 0.30110 -0.60295 -0.07085 -0.00785 -0.03056 -0.00326 -0.02205 0.01400 -0.00541 0.06246 -0.09040 0.11269 0.05078 -0.04109 -0.02924 -0.06508 0.00895 0.13225 0.00256 0.03923 -0.00905 0.25150 -0.01143 0.03257 -0.06878 -0.20481 0.05532 0.42318 -0.02362 0.22704 0.07855 -0.04588 0.00087 -0.00122 0.00434 0.00052 -0.00392 0.00347 0.00753 0.00289 0.00082 -0.00176 0.00125 -0.00372 0.00745 -0.00972 -0.01061 -0.00414 0.02325 -0.00145 0.00391 -0.00401 -0.00255 -0.00083 -0.00879 -0.00007 0.00683 -0.00577 -0.01495 -0.00450 -0.00072 -0.00605 -0.00982 -0.00382 0.00247 -0.00029 -0.00279 0.00241 0.00586 -0.00019 0.00370 -0.00616 -0.00301 0.01209 0.00689 -0.00285 0.00161 -0.00128 0.00771 -0.00055 -0.01386 0.01560 -0.00165 -0.02442 0.00348 -0.00061 0.00594 0.00384 0.00245 -0.01198 -0.00825 0.01344 -0.00056 0.03413 -0.00939 0.00041 -0.01515 -0.00336 -0.00613 0.00139 0.03444 -0.02549 0.23630 0.18748 0.01203 0.00716 -0.01048 -0.00162 -0.00477 0.02342 0.00659 -0.01908 -0.10702 0.25937 0.09416 0.09348 0.03871 0.08734 0.01110 0.06642 0.00894 -0.01118 0.02246 -0.06876 0.04299 0.29508 -0.14959 0.29633 -0.01432 0.10789 0.00722 -0.00554 0.02985 0.19346 -0.01040 0.01460 -0.02166 -0.02340 -0.00828 0.20013 -0.14543 -0.11586 0.07751 0.06746 0.00086 0.02662 -0.01309 0.05177 0.00518 -0.07200 0.09900 -0.00010 -0.05302 0.08938 0.05728 0.04664 0.03477 0.00632 0.02323 0.26471 0.14122 0.05877 0.01289 -0.01830 0.03180 0.20719 -0.12259 0.39846 -0.04438 0.10437 -0.02655 -0.02680 0.00030 0.00083 0.00414 0.00078 -0.00356 -0.00747 -0.00797 0.00728 0.00332 -0.00036 0.00096 -0.00404 0.00903 -0.00930 -0.00675 0.00837 -0.02406 -0.00429 0.00069 -0.00389 -0.00183 -0.00039 -0.00931 -0.00017 0.00491 0.01136 0.01651 -0.01330 -0.00251 -0.00981 -0.00916 -0.00208 0.00268 0.00006 -0.00205 -0.00012 -0.00449 -0.01644 -0.00593 -0.02153 -0.00337 0.01252 0.00604 -0.00222 0.00105 0.00412 -0.00618 -0.01006 -0.01134 0.01048 0.14442 -0.08244 -0.01649 0.00076 -0.01837 0.00396 0.00071 -0.01551 -0.02829 0.03601 0.13945 -0.09892 -0.02417 -0.00470 -0.02669 -0.01064 -0.00348 -0.02597 -0.21313 0.60350 -0.00059 -0.00381 -0.00057 0.00035 -0.00014 -0.00024 0.00062 0.00151 0.00082 0.00010 -0.00388 0.00051 -0.00100 0.00178 0.00075 -0.00189 0.00300 0.00160 -0.00079 0.00504 0.00110 0.00070 -0.00411 0.00622 0.00233 -0.00632 0.01102 -0.00084 0.00136 -0.00028 0.00646 -0.00308 -0.01213 -0.00083 -0.01356 -0.00243 -0.00245 0.02108 -0.04028 0.02775 -0.02130 0.00714 0.02417 0.00142 0.02769 0.00505 0.00440 -0.04472 0.10009 -0.02472 0.16003 0.06439 0.06786 -0.00476 0.05408 0.00049 0.01642 -0.04075 0.05809 -0.02533 -0.10600 0.13338 0.10956 -0.07714 0.02174 -0.03221 0.10398 -0.02760 -0.13370 0.07561 0.02907 -0.03394 0.11475 -0.25664 -0.17133 -0.13523 0.28809 -0.08448 0.00645 -0.02831 0.03947 0.04247 0.07106 0.00025 0.07750 0.02088 0.01922 -0.26463 0.33135 -0.48275 0.06223 0.03541 0.02159 -0.00388 0.02315 -0.00543 0.01129 -0.01456 0.09752 -0.28254 -0.00085 0.07504 0.07426 -0.05239 0.01550 -0.02040 0.13886 -0.02631 -0.50047 0.14052 -0.00109 -0.01764 0.08320 -0.19331 -0.13826 -0.20458 0.40422 -0.15627 0.12649 -0.04640 -0.00060 0.00038 -0.00407 -0.00023 0.00411 0.00507 0.00823 0.00075 0.00291 -0.00361 0.00268 -0.00469 0.00907 0.01155 -0.00668 -0.02420 -0.00868 -0.00951 -0.00598 0.00161 -0.00455 0.00151 0.00607 -0.00097 -0.00505 -0.00601 -0.01121 0.00095 0.00060 -0.00799 -0.01191 0.00534 -0.00300 0.00024 0.00010 0.00036 0.00419 -0.00082 0.00042 -0.01774 -0.00784 0.00929 0.00590 0.00386 -0.00046 -0.00761 -0.00369 -0.00301 0.00832 -0.01162 -0.00846 0.09072 0.02912 0.00186 0.02454 0.00088 0.00395 0.00028 -0.03474 0.05580 -0.01190 0.09062 0.03358 0.00334 0.03185 0.00517 0.01402 -0.00732 -0.36003 0.69695 -0.00301 0.00180 -0.00014 -0.00025 -0.00022 0.00011 -0.00005 0.00092 0.00150 -0.00155 0.00203 0.00115 -0.00030 -0.00219 0.00094 0.00377 -0.00022 0.00117 0.00282 -0.00365 -0.00044 0.00032 -0.00256 -0.00718 0.00165 0.01152 -0.00054 0.00557 0.00143 0.00233 -0.00342 0.00391 0.00862 0.00267 0.00866 0.00486 0.00056 -0.01931 -0.02256 0.00225 0.00643 -0.00993 -0.01982 -0.00435 -0.01905 -0.00251 -0.00209 0.02304 0.05648 0.01334 -0.14020 -0.00855 -0.05306 -0.00622 -0.06478 -0.01266 -0.00534 -0.01496 0.01256 -0.09229 0.13569 -0.18857 0.02332 0.00664 -0.10356 -0.07217 -0.10143 0.04669 0.01549 0.03142 -0.04612 0.03928 0.28818 0.04088 -0.14757 -0.19080 -0.30801 -0.01857 -0.02065 -0.00900 -0.01252 -0.04627 -0.02124 -0.03777 -0.01389 -0.13524 0.03524 0.31676 0.35188 0.05299 0.02601 0.06822 -0.00074 0.00236 -0.01413 0.03983 -0.00317 -0.05824 -0.23178 -0.18808 0.06446 -0.06190 0.05476 -0.00154 -0.02370 -0.11619 -0.11587 0.06560 0.02881 -0.03398 -0.02675 0.00917 0.18093 0.03852 -0.12518 -0.20858 -0.38757 -0.00888 -0.00588 0.02196 0.00448 0.00113 0.00218 -0.00966 -0.00088 -0.01197 0.00726 -0.00257 -0.00203 -0.00921 0.00097 -0.00514 -0.00462 0.00114 0.00906 -0.00149 -0.00992 -0.00137 0.00021 0.00122 -0.00458 -0.00216 -0.00156 0.01699 -0.00060 0.02022 -0.01312 0.01470 -0.00155 0.00292 -0.01872 -0.00631 0.00044 -0.00523 0.00161 -0.00497 0.00482 -0.00361 -0.01069 0.02332 -0.00123 0.00593 0.01375 0.00243 0.02218 0.00397 -0.00016 -0.00625 0.00456 -0.00277 0.12052 -0.08211 -0.01312 0.00017 -0.01142 -0.00034 -0.00288 0.00240 -0.01729 0.07803 0.13647 -0.08426 -0.01345 0.00557 -0.00340 0.02724 -0.00242 0.16148 -0.77070 0.63790 0.00066 0.00214 0.00137 -0.00024 0.00104 -0.00040 0.00095 0.00048 -0.00673 -0.00142 0.00308 -0.00087 0.00126 -0.00194 -0.00102 -0.00136 0.00375 -0.00232 0.00313 -0.00445 -0.00091 0.00047 0.00325 -0.00640 -0.00380 -0.00489 0.01147 -0.00367 -0.00192 0.00066 -0.00686 -0.05884 -0.00895 -0.00300 -0.00251 -0.01296 0.00079 0.05506 0.02419 -0.03585 0.01412 0.12114 0.02003 0.00546 0.00918 0.01733 -0.00346 -0.04048 -0.04346 0.03653 -0.00085 -0.11210 -0.03791 0.01176 -0.05141 0.09713 0.00217 -0.37491 -0.12523 -0.13603 -0.02182 -0.19752 -0.03045 -0.00615 -0.01859 -0.01308 -0.00548 0.07841 0.05718 0.01126 0.01534 0.06609 -0.00162 0.02847 -0.03431 0.17042 0.00094 -0.33203 -0.12006 -0.05157 0.02137 0.10438 0.01395 0.00454 -0.00981 0.12138 -0.01287 -0.56500 -0.25543 0.22090 0.00479 0.03130 0.00280 -0.00670 0.01687 0.02075 0.04810 -0.34006 -0.12029 -0.20710 0.00449 0.02959 -0.00436 0.01380 0.00155 -0.01693 0.01844 0.17675 0.06872 0.19245 0.00289 -0.00282 0.00300 0.03637 -0.01260 0.19038 0.03942 -0.36411 -0.09664 -0.09644 -0.00125 -0.00882 -0.00186 0.00549 -0.00695 0.01140 -0.00306 -0.00230 -0.00077 0.00478 -0.00028 0.00496 -0.00555 -0.00991 -0.00240 -0.01258 -0.00440 -0.01373 -0.00103 0.00989 -0.00335 -0.01540 -0.00189 -0.00956 0.00590 -0.01761 0.00194 0.00304 0.00155 0.00634 -0.00843 -0.00578 -0.00263 0.00118 -0.00482 0.00482 -0.00237 0.00217 0.00549 0.01460 0.00135 0.02260 0.00331 -0.00069 0.00236 -0.00289 -0.00147 0.00431 0.00415 0.00734 -0.00326 -0.00457 -0.00741 -0.00289 0.01680 0.01055 0.02541 0.00929 -0.05098 -0.02427 0.00983 0.01148 0.01789 0.00607 -0.03783 -0.02223 -0.05306 -0.01734 0.06203 0.04638 -0.10077 -0.00280 -0.08296 -0.01275 0.02191 0.02418 0.03478 -0.04671 0.08306 0.06340 0.03131 0.06719 -0.05725 0.01414 -0.08318 0.01705 -0.02915 0.02285 -0.07158 -0.01560 -0.00650 0.02606 0.01745 0.00099 -0.06796 -0.05203 -0.06142 0.02303 -0.06145 -0.07411 0.00427 0.01235 0.04313 0.01089 -0.05904 -0.07634 -0.21733 -0.17757 0.81285 0.33404 -0.04969 -0.00217 -0.02596 -0.00659 0.00441 0.00298 -0.00423 -0.15816 0.23750 0.22383 0.01352 0.03065 -0.02251 0.01271 -0.02689 0.02942 -0.02706 0.09543 -0.18556 -0.06214 -0.01220 -0.00277 0.01051 0.00171 -0.02290 -0.07480 -0.07217 0.10202 -0.23338 -0.27164 0.00752 0.00242 0.00249 0.00118 -0.00431 -0.00145 -0.00503 -0.00049 0.00705 0.00389 0.00299 -0.00140 0.00281 0.00007 0.00685 -0.00050 -0.00017 -0.00006 -0.00142 -0.00742 -0.00257 -0.00474 0.01169 0.00057 0.01573 0.00284 0.00460 -0.00505 0.00260 0.00378 -0.00597 0.00381 -0.01262 -0.00104 -0.01042 0.00218 0.00371 0.00338 -0.00039 0.00380 -0.00096 -0.00034 -0.00168 -0.00007 -0.00108 0.00078 -0.00116 0.00377 -0.00137 -0.00049 0.05042 0.02330 -0.01565 0.00734 -0.03851 -0.00588 -0.02269 0.00769 -0.01627 -0.01898 0.04029 0.00377 -0.03312 -0.00057 -0.03777 -0.06324 0.01727 0.04569 -0.20699 -0.17856 -0.00126 0.00054 -0.00145 0.00076 -0.00133 0.00169 -0.00196 0.00126 0.00180 0.00334 -0.00161 -0.00039 -0.00085 -0.00017 -0.00062 -0.00085 -0.00010 -0.00089 -0.00178 -0.00262 0.00139 0.00098 -0.00007 0.00009 -0.00146 -0.00098 -0.00010 -0.00108 -0.00146 -0.00122 -0.07067 0.01196 -0.07390 -0.00781 -0.02804 0.01312 0.02025 0.01052 -0.02248 -0.00115 -0.07152 0.01144 -0.09951 -0.01249 -0.02806 0.04014 0.12303 0.23769 -0.57126 -0.34922 0.00151 -0.00045 0.00123 -0.00004 0.00068 0.00021 0.00105 0.00005 -0.00200 -0.00052 0.00125 0.00125 -0.00077 0.00027 -0.00165 0.00035 -0.00085 0.00129 -0.00170 -0.00079 -0.00018 0.00042 0.00105 -0.00007 -0.00055 -0.00162 -0.00134 0.00179 -0.00434 -0.00580 -0.00013 -0.05067 0.07815 -0.00193 0.08955 -0.00258 0.01269 -0.01733 -0.00655 -0.00764 -0.00014 -0.05899 0.09210 0.00913 0.15521 0.06201 0.04679 0.11514 -0.53689 -0.21900 -0.00218 -0.00077 -0.00024 -0.00054 0.00128 -0.00073 0.00119 -0.00232 0.00324 0.00203 0.00054 -0.00106 0.00135 0.00018 0.00104 0.00014 -0.00030 0.00044 0.00252 0.00209 -0.00022 -0.00018 0.00060 0.00009 -0.00085 -0.00096 -0.00197 0.00282 -0.00446 -0.00303 -0.00549 -0.00404 0.01452 -0.00027 0.00484 -0.00925 -0.00848 0.02660 -0.07549 -0.00398 0.01303 0.00863 -0.03465 0.00217 -0.01129 0.02755 0.01561 -0.03898 0.08848 0.01490 -0.07479 0.00265 0.02856 -0.00725 -0.03470 -0.01595 -0.01988 -0.03187 0.08141 0.07093 0.08377 0.04329 -0.10196 -0.00753 -0.07205 0.02376 0.03058 0.01429 -0.13256 0.01255 -0.04579 0.01496 0.01997 0.01577 0.00240 0.01378 -0.03208 -0.01237 0.03973 0.09695 0.01714 0.01111 -0.04535 -0.00122 -0.00561 0.05969 0.08062 -0.42143 1.18045 0.10662 -0.04486 0.00268 0.00260 0.00839 -0.01877 0.04444 -0.05864 -0.03796 0.25640 0.17688 0.03620 0.01212 -0.04851 -0.00018 -0.01480 0.03417 0.04139 0.18284 -0.33564 -0.04331 -0.01908 0.01101 -0.00265 0.01473 0.00764 0.05365 -0.03706 -0.03809 0.14519 0.36227 0.00575 0.00398 -0.00749 0.00034 -0.01012 -0.00002 -0.00243 0.00037 0.00572 -0.00244 -0.00095 0.00093 -0.00539 -0.00083 -0.00631 -0.00058 -0.00140 0.00127 -0.00090 0.00653 -0.00492 -0.00012 0.00009 0.00022 -0.00241 -0.00075 -0.00149 0.00400 -0.00557 -0.00670 -0.00357 0.00533 -0.01014 -0.00154 -0.01908 -0.00540 -0.00435 0.00014 -0.00626 -0.00246 -0.00013 -0.00019 0.00144 0.00015 0.00033 0.00170 0.00231 0.00251 -0.00535 -0.00198 -0.03073 -0.03898 0.07074 0.00701 0.09183 0.01220 0.00811 0.01558 -0.00674 0.00505 -0.02664 -0.05330 0.09479 0.01402 0.15076 0.05474 0.01571 0.29872 -0.73341 0.07967 -0.00244 0.00009 0.00144 -0.00036 0.00004 -0.00138 -0.00052 -0.00225 0.00763 -0.00113 -0.00084 -0.00066 0.00032 0.00025 0.00083 0.00043 -0.00049 0.00151 0.00241 -0.00242 -0.00099 0.00003 0.00134 0.00016 0.00083 -0.00021 -0.00020 -0.00166 0.00497 0.00470 -0.04484 0.01511 -0.01926 -0.00757 -0.06286 -0.01925 -0.01156 -0.00393 -0.04594 0.00680 -0.04567 0.01342 -0.01726 -0.01755 -0.07947 -0.10277 -0.00574 0.19490 -0.72414 -0.25938 0.00066 -0.00040 0.00054 0.00020 0.00100 -0.00014 -0.00082 0.00126 -0.00312 -0.00117 0.00188 0.00063 -0.00177 -0.00009 -0.00046 0.00118 0.00183 0.00161 -0.00481 -0.00198 -0.00008 0.00047 0.00018 0.00031 -0.00081 0.00004 -0.00174 -0.00068 0.00266 0.00490 0.01650 0.02165 -0.02620 0.00928 -0.02138 0.00908 -0.00745 0.00367 -0.00632 -0.03157 0.01509 0.01733 -0.00467 -0.00130 -0.04781 -0.07033 -0.02187 0.13727 -0.34696 -0.31535 -0.00118 0.00067 -0.00131 0.00051 -0.00047 0.00216 -0.00047 0.00001 0.00305 0.00338 0.00095 0.00057 -0.00109 -0.00017 -0.00140 -0.00054 -0.00083 0.00095 -0.00224 -0.00243 -0.00116 -0.00049 0.00070 -0.00008 0.00036 -0.00011 -0.00027 0.00012 0.00066 0.00116 0.01040 0.01338 -0.02252 -0.00360 -0.03304 -0.01106 -0.00480 0.02376 -0.01252 -0.06141 -0.02102 -0.02750 0.04769 0.00724 0.06708 0.01889 0.01091 -0.04636 0.01919 0.11870 0.19029 0.00603 0.11232 0.01241 0.13457 0.02282 0.02003 -0.02708 0.05683 -0.04024 -0.05519 -0.11540 0.26381 0.02337 0.37528 0.05041 0.05934 -0.07286 0.01457 0.01298 0.02864 -0.04225 0.00127 -0.00371 0.12909 0.02047 0.01699 -0.01383 -0.00422 0.01266 -0.08107 -0.08027 0.09195 0.02125 0.15593 0.10485 0.02239 -0.24941 0.25779 0.74143 0.13371 0.01838 0.08797 0.00421 0.11698 0.03300 0.05261 -0.01606 0.00783 -0.02515 -0.03219 -0.09000 0.21693 0.01235 0.32028 0.03079 0.08921 -0.15533 0.05453 -0.04196 0.01124 -0.03224 0.01572 0.00084 0.10535 0.01570 -0.03192 0.01683 -0.00787 -0.00238 0.00507 0.00092 0.00424 0.00078 0.00158 -0.00023 -0.00057 -0.00323 -0.00350 0.00884 0.00148 -0.00087 -0.01209 -0.00176 0.00382 0.01143 0.01923 0.00232 -0.00099 0.00014 -0.00316 -0.00085 0.00302 0.00101 -0.00433 -0.00251 -0.00617 0.01036 0.00079 -0.00062 -0.00737 -0.00045 0.00146 -0.00005 0.00213 0.00008 0.00139 -0.00513 0.00561 0.00452 -0.00589 0.00543 -0.00596 -0.00071 -0.00255 0.00147 0.00385 0.00848 -0.00965 -0.00442 -0.03171 -0.03282 -0.09215 -0.03354 -0.08598 -0.03155 -0.00393 -0.02579 0.04383 0.07478 -0.03250 -0.04152 -0.13409 -0.05855 -0.16270 -0.14665 -0.07927 -0.05225 0.28075 0.65707 -0.00040 -0.00210 -0.00009 -0.00096 0.00199 -0.00662 0.00204 0.01558 0.00546 -0.00139 0.00140 0.00171 0.00163 0.00103 0.00034 0.00210 -0.00021 -0.01032 -0.00312 0.00567 0.00071 0.00011 0.00180 0.00113 0.00159 -0.00113 0.00002 0.01290 0.00468 0.00072 -0.03049 -0.04808 -0.04351 -0.02895 -0.01154 -0.04320 0.01202 0.12282 0.03219 -0.07642 -0.03262 -0.05481 -0.01321 -0.01469 0.05090 -0.05770 0.04557 0.67816 -0.10062 -0.55555 -0.00007 -0.00178 -0.00023 -0.00129 0.00202 -0.00546 0.00291 0.01236 0.00283 0.00043 -0.00182 -0.00066 -0.00908 -0.00237 -0.01067 -0.00301 -0.00043 -0.00083 0.00165 0.00192 -0.00011 -0.00093 -0.00120 -0.00017 -0.00184 -0.00269 -0.00142 0.01278 0.00518 0.00325 0.00147 0.00531 -0.00154 -0.00356 0.00060 -0.01000 0.00030 -0.00884 -0.00904 0.00362 -0.00331 -0.01164 0.00356 0.00683 -0.00153 0.02244 -0.00238 0.01368 0.02055 -0.00640 0.01319 0.11271 0.02308 -0.04540 0.04447 -0.07960 -0.00593 0.09230 0.03319 0.06349 0.07695 0.16981 0.00588 -0.03645 0.02802 -0.02635 0.00937 -0.02219 -0.04042 -0.05964 -0.00566 -0.02781 0.02384 0.00651 0.01835 -0.01615 -0.00633 0.13761 0.04503 0.01201 -0.00713 -0.03001 0.00690 0.02579 -0.00528 0.07465 0.00345 0.09345 0.06863 -0.03228 0.00809 0.07523 0.01678 -0.03560 0.03258 -0.07514 -0.01119 0.09420 0.02596 0.06991 0.05506 0.12117 0.00368 -0.02818 0.01818 -0.01705 0.00245 -0.03539 -0.03493 -0.06154 -0.00409 -0.01656 0.01973 0.00407 0.01607 -0.01482 -0.00711 0.15221 0.05506 0.01204 0.00014 -0.00021 0.00045 -0.00048 -0.00020 0.00270 -0.00105 -0.00947 -0.00229 -0.00134 -0.00003 0.00170 -0.00018 -0.00039 -0.00006 0.00067 -0.00014 -0.00087 -0.00122 0.00185 0.00185 0.00194 -0.00079 -0.00140 -0.00028 -0.00134 -0.00063 0.00044 0.00081 0.00077 -0.00059 -0.00196 -0.00060 0.00001 -0.00052 -0.00207 -0.00061 0.00630 0.00385 0.00477 -0.00107 -0.00070 0.00000 0.00017 -0.00008 -0.00141 0.00034 -0.00201 0.00032 0.00276 0.00094 0.00434 -0.00110 0.00245 -0.00271 0.00552 0.00046 -0.00557 -0.00037 0.02734 -0.00175 -0.00994 0.00293 -0.00480 0.00634 -0.00986 -0.00175 0.01065 -0.00130 -0.06239 0.00883 0.07893 0.04409 0.02030 0.04788 -0.03221 0.00981 0.14962 0.02993 0.01574 -0.00618 0.15868 0.00990 0.04363 -0.01864 0.04592 0.00249 -0.01754 -0.00239 0.07083 0.01279 -0.04648 0.01904 -0.04115 0.04016 -0.06458 -0.00978 0.11968 0.02663 0.02685 -0.00616 -0.02370 0.00432 -0.01819 0.01459 -0.05360 -0.00280 0.04857 0.01125 -0.21667 0.00498 0.05797 0.03485 0.01403 0.03511 -0.02833 -0.00343 0.14646 0.03475 0.00740 -0.00392 0.10649 0.00727 0.03277 -0.01524 0.04563 -0.00080 -0.03222 -0.00711 0.09200 0.00894 -0.03691 0.01323 -0.03291 0.03196 -0.06571 -0.00815 0.12631 0.02877 0.05143 -0.00036 0.00113 -0.00042 0.00053 -0.00069 -0.00109 -0.00020 0.00367 0.00170 0.00099 0.00010 -0.00103 -0.00051 -0.00165 -0.00020 -0.00192 -0.00124 -0.00063 0.00039 0.00583 -0.00091 -0.00074 -0.00042 0.00012 -0.00057 -0.00268 -0.00082 0.00689 0.00340 0.00009 0.00009 0.00160 -0.00010 0.00074 -0.00020 -0.00122 0.00056 -0.00313 -0.00101 0.00375 0.00025 0.00091 -0.00058 -0.00030 0.00018 -0.00268 0.00167 0.00813 0.00247 0.00365 1 H 1S 2S 3PX 3PY 3PZ 2 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 3 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 4 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 5 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 6 H 1S 2S 3PX 3PY 3PZ 7 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 8 H 1S 2S 3PX 3PY 3PZ 9 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 10 H 1S 2S 3PX 3PY 3PZ 11 B 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 12 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 13 H 1S 2S 3PX 3PY 3PZ 14 H 1S 2S 3PX 3PY 3PZ 15 H 1S 2S 3PX 3PY 3PZ 16 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 17 H 1S 2S 3PX 3PY 3PZ 18 H 1S 2S 3PX 3PY 3PZ 19 H 1S 2S 3PX 3PY 3PZ 20 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 21 H 1S 2S 3PX 3PY 3PZ 22 H 1S 2S 3PX 3PY 3PZ 23 F 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 24 F 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 1 H 1S|2S|3PX|3PY|3PZ|2 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|3 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|4 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|5 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|6 H 1S|2S|3PX|3PY|3PZ|7 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|8 H 1S|2S|3PX|3PY|3PZ|9 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|10 H 1S|2S|3PX|3PY|3PZ|11 B 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|12 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|13 H 1S|2S|3PX|3PY|3PZ|14 H 1S|2S|3PX|3PY|3PZ|15 H 1S|2S|3PX|3PY|3PZ|16 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|17 H 1S|2S|3PX|3PY|3PZ|18 H 1S|2S|3PX|3PY|3PZ|19 H 1S|2S|3PX|3PY|3PZ|20 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|21 H 1S|2S|3PX|3PY|3PZ|22 H 1S|2S|3PX|3PY|3PZ|23 F 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|24 F 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2 0.53240 0.32289 0.00746 0.00198 0.00260 1.99654 0.67740 0.74476 0.74148 0.57912 0.49000 0.24901 0.19294 0.41164 0.00355 0.00303 0.00581 0.01247 0.00980 1.99656 0.67995 0.75424 0.73602 0.56028 0.51298 0.20278 0.28459 0.41438 0.00295 0.00668 0.00336 0.01111 0.01224 1.99653 0.68010 0.75328 0.73590 0.56739 0.50649 0.21353 0.24983 0.40570 0.00297 0.00604 0.00419 0.00998 0.01225 1.99688 0.66758 0.75760 0.74467 0.58380 0.53678 0.16956 0.16193 0.41786 0.00280 0.00519 0.00376 0.00933 0.00928 0.53278 0.32007 0.00272 0.00647 0.00277 1.99653 0.67623 0.75655 0.72317 0.59310 0.48497 0.18338 0.24867 0.42938 0.00291 0.00619 0.00338 0.00966 0.01146 0.53270 0.31965 0.00386 0.00525 0.00289 1.99663 0.68087 0.67646 0.75314 0.60159 0.41177 0.08848 0.16171 0.38463 0.00481 0.00770 0.00659 0.01810 0.01962 0.53086 0.33091 0.00283 0.00646 0.00309 1.99632 0.52136 0.39202 0.54981 0.36141 0.13885 0.09947 0.09401 0.09901 0.02975 0.02988 0.03234 0.03127 0.03317 1.99643 0.65764 0.71470 0.72766 0.64208 0.56388 0.32370 0.34076 0.20312 0.01059 0.00767 0.01257 0.01140 0.00265 0.52554 0.30846 0.00273 0.00480 0.00401 0.52932 0.32394 0.00687 0.00236 0.00156 0.52759 0.34585 0.00224 0.00637 0.00209 1.99636 0.65637 0.71962 0.68966 0.67939 0.56230 0.33454 0.27477 0.25978 0.01112 0.00722 0.00847 0.01475 0.00368 0.52810 0.34397 0.00224 0.00671 0.00192 0.52866 0.31930 0.00677 0.00213 0.00189 0.52759 0.31427 0.00299 0.00215 0.00573 1.99721 0.75106 0.78050 0.95676 0.76307 0.86331 0.38075 0.60762 0.36767 0.00945 0.00867 0.00823 0.00888 0.00507 0.54408 0.48695 0.00075 0.00612 0.00129 0.46820 0.42369 0.00121 0.01271 0.00055 1.99732 0.92785 1.09789 1.16520 1.06585 1.00516 0.66982 0.71993 0.63849 0.00340 0.00381 0.00180 0.00136 0.00114 1.99732 0.92839 1.13523 1.05716 1.13573 1.00253 0.71546 0.60776 0.71102 0.00147 0.00064 0.00319 0.00309 0.00332 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 H C C C C H C H C H B C H H H C H H H N H H F F 0.132667 -0.117548 -0.178111 -0.144211 -0.067005 0.135195 -0.125594 0.135652 0.187913 0.125853 0.591343 -0.214829 0.154469 0.135953 0.115863 -0.218048 0.117059 0.141250 0.147268 -0.508246 -0.039194 0.093639 -0.299021 -0.302317 -0.00000 0.3666 -3.6071 1.0647 3.7788 -59.2327 -77.2254 -71.8361 -17.9819 5.9443 -0.0648 10.1987 -7.7940 -2.4047 -17.9819 5.9443 -0.0648 -761.6269 -167.1647 8.8250 -327.8397 -131.6867 36.7222 -292.1259 -47.3842 9.3543 6.9447 -7526.0805 -1335.7568 -329.3138 -959.4334 269.1033 -683.2816 133.5006 90.9549 131.2546 -1781.9615 -1453.6026 -264.0173 94.4095 67.9105 -196.8488 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 2.3741, EpsInf= 2.2383) Differentiating once with respect to nuclear coordinates. Keep R1 ints in memory in canonical form, NReq=755956229. There are 75 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 0. 69 vectors produced by pass 0 Test12= 1.10D-14 1.33D-09 XBig12= 7.10D-02 8.11D-02. AX will form 69 AO Fock derivatives at one time. 69 vectors produced by pass 1 Test12= 1.10D-14 1.33D-09 XBig12= 7.93D-03 2.48D-02. 69 vectors produced by pass 2 Test12= 1.10D-14 1.33D-09 XBig12= 1.48D-04 2.18D-03. 69 vectors produced by pass 3 Test12= 1.10D-14 1.33D-09 XBig12= 1.22D-06 1.53D-04. 69 vectors produced by pass 4 Test12= 1.10D-14 1.33D-09 XBig12= 7.92D-09 9.63D-06. 69 vectors produced by pass 5 Test12= 1.10D-14 1.33D-09 XBig12= 3.74D-11 6.56D-07. 55 vectors produced by pass 6 Test12= 1.10D-14 1.33D-09 XBig12= 1.71D-13 3.72D-08. 9 vectors produced by pass 7 Test12= 1.10D-14 1.33D-09 XBig12= 7.14D-16 2.60D-09. InvSVY: IOpt=1 It= 1 EMax= 3.33D-16 Solved reduced A of dimension 478 with 75 vectors. End of Minotr F.D. properties file 721 does not exist. 0.000 0.000 0.000 0.000 0.000 0.000 133.844 -2.717 130.343 -2.083 -14.644 76.240 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 1 6 6 6 6 1 6 1 6 1 5 6 1 1 1 6 1 1 1 7 1 1 9 9 -0.000000884 -0.000004662 -0.000001018 0.000004607 0.000003888 -0.000002401 -0.000010908 0.000011748 -0.000004955 0.000007033 -0.000000717 -0.000000295 0.000017407 -0.000026287 0.000015876 0.000000669 -0.000002696 -0.000000399 -0.000005960 -0.000009538 0.000001443 -0.000000541 -0.000001284 -0.000000970 -0.000020012 0.000007704 -0.000001137 0.000001704 0.000000372 0.000000188 -0.007758909 0.000461495 -0.008038449 -0.000006958 -0.000006137 0.000005747 0.000003363 0.000003811 -0.000000165 0.000001249 0.000000243 0.000001417 -0.000000262 0.000002567 -0.000001564 0.000004327 -0.000001040 0.000003151 0.000000391 0.000001002 -0.000000113 -0.000001837 0.000004127 0.000002328 -0.000002587 -0.000000661 0.000000202 -0.000669944 -0.004434492 -0.001050636 0.009222992 -0.007475068 0.007071275 -0.000771186 0.011456134 0.001987089 -0.000006723 0.000004450 0.000002052 -0.000007032 0.000005041 0.000011334 0.011456134 0.002563038 6 -591.261942699 PT127497.100S 2021-04-14T14:55:09.000 Mulliken charges with hydrogens summed into heavy atoms: 1 2 3 4 5 7 9 11 12 16 20 23 24 C C C C C C B C C N F F 0.015118 -0.042916 -0.008559 -0.067005 0.000259 0.187913 0.552149 0.191456 0.187529 -0.414607 -0.299021 -0.302317 -0.00000 -10.32856 -10.30519 -10.30375 -10.29923 -10.29873 -10.27968 -6.91919 -1.27693 -1.24818 -1.06908 -0.95289 -0.85365 -0.84869 -0.82775 -0.76017 -0.71597 -0.67875 -0.64083 -0.61979 -0.60708 -0.57166 -0.56929 -0.55957 -0.54590 -0.53867 -0.52822 -0.51815 -0.49812 -0.48920 -0.48165 -0.47216 -0.46931 -0.45943 -0.45609 -0.44647 -0.42824 -0.40257 -0.33856 -0.32832 -0.31671 0.05807 0.06286 0.14610 0.16835 0.18397 0.20201 0.21383 0.21990 0.22540 0.23209 0.23487 0.24387 0.26076 0.27247 0.27668 0.28567 0.30826 0.32741 0.33654 0.35246 0.38785 0.40551 0.42395 0.44060 0.45166 0.53199 0.54930 0.55816 0.58019 0.58753 0.59567 0.61181 0.61994 0.64222 0.64957 0.65845 0.69102 0.69670 0.69897 0.71102 0.71599 0.72840 0.74657 0.75831 0.77852 0.80509 0.82028 0.83807 0.87251 0.88575 0.89590 0.91496 0.92253 0.93216 0.93775 0.95073 0.96974 0.97885 0.98472 1.00150 1.01808 1.03572 1.04142 1.05642 1.08742 1.10357 1.11708 1.13585 1.20317 1.21573 1.22456 1.27863 1.28321 1.29308 1.30956 1.31889 1.34469 1.36498 1.41590 1.42485 1.43256 1.46606 1.47614 1.49212 1.50013 1.51257 1.52216 1.53587 1.58978 1.59624 1.61313 1.65156 1.66042 1.68273 1.71494 1.76154 1.78979 1.84142 1.85825 1.87912 1.90502 1.92577 1.93699 1.95540 1.96429 1.97621 1.99527 2.01043 2.02393 2.03418 2.04122 2.05084 2.05591 2.07939 2.08501 2.08998 2.10596 2.11631 2.12109 2.13744 2.15408 2.17254 2.18547 2.18716 2.19985 2.20694 2.23462 2.26167 2.30703 2.33941 2.36903 2.37591 2.37989 2.42200 2.45249 2.45623 2.46979 2.48910 2.50912 2.52051 2.53300 2.56405 2.59559 2.61294 2.64082 2.64518 2.65826 2.66193 2.68724 2.71427 2.72113 2.72537 2.76116 2.76576 2.79276 2.82226 2.83399 2.86256 2.88189 2.89530 2.93351 2.95122 2.97593 3.00447 3.02667 3.09238 3.14297 3.15950 3.18105 3.28097 3.30156 3.32097 3.32789 3.33844 3.42583 3.44485 3.49254 3.50446 3.55033 3.58076 3.59174 3.96262 4.01781 41 42 43 44 45 46 47 48 49 50 O|O|O|O|O|V|V|V|V|V -0.42824 -0.40257 -0.33856 -0.32832 -0.31671 0.05807 0.06286 0.14610 0.16835 0.18397 -0.14852 -0.05122 -0.01777 0.00295 -0.01266 -0.00004 0.00107 -0.00044 0.04976 0.01749 -0.14578 -0.05679 -0.01983 0.00403 -0.01501 -0.00059 0.00402 -0.00079 0.53484 0.31619 -0.00362 -0.00071 -0.00023 0.00007 0.00009 -0.00015 -0.00024 -0.00008 -0.00355 -0.00175 -0.00128 0.00276 -0.00059 0.00043 0.00182 -0.00126 -0.00266 -0.00177 0.00181 0.00083 0.00052 -0.00002 -0.00549 0.00287 0.00519 -0.00545 -0.01089 0.00303 0.00171 -0.00245 -0.00290 -0.01208 -0.00404 0.00086 -0.00348 0.00132 0.00042 0.00436 0.03059 0.00565 0.01084 0.02709 0.00852 -0.00270 0.00709 -0.00088 -0.00111 -0.00587 -0.05937 -0.00015 0.18267 0.10292 0.02562 -0.00329 0.02694 -0.00481 -0.00633 -0.00739 0.07528 0.08923 -0.14510 0.14701 -0.01145 0.01956 0.08678 -0.03852 -0.06710 -0.01715 0.01180 0.00076 0.03695 -0.00631 -0.22621 0.11502 0.20266 -0.15049 -0.29254 0.06333 0.03934 -0.04892 -0.00998 0.05499 0.01993 0.00261 0.01847 -0.01696 -0.01165 -0.10706 -0.31263 -0.25995 0.06401 0.04369 0.01695 0.00142 0.01826 -0.01513 -0.01003 -0.04887 0.24653 0.11049 -0.05339 0.07577 -0.01333 0.02153 0.05793 -0.06300 -0.09017 0.01460 -0.03932 0.01622 0.01520 0.00403 -0.15980 0.08128 0.15271 -0.20944 -0.40413 0.08883 0.07306 -0.07590 0.00238 0.00098 0.00296 0.00666 -0.00080 0.01052 -0.00562 -0.00071 -0.00509 -0.00098 0.00138 0.00017 -0.00605 0.00050 0.00407 0.00050 0.00919 -0.00318 -0.00075 0.00339 -0.00338 -0.00059 -0.00610 -0.01579 0.00197 -0.02383 0.01245 0.00285 0.00344 0.00176 -0.01859 -0.00410 -0.00094 0.00422 -0.00199 0.00604 -0.00249 -0.00056 0.01392 0.00840 -0.00289 0.00489 0.00031 -0.00037 0.00285 -0.00050 0.00270 0.00386 -0.00708 -0.00467 0.00459 0.00907 0.00299 -0.00033 0.00214 -0.00276 -0.00180 -0.01745 0.01669 0.04735 -0.01550 -0.01893 -0.00661 -0.00000 -0.00460 0.00501 0.00370 0.02828 -0.02991 -0.10101 -0.21797 -0.12725 -0.04571 0.00171 -0.02498 0.00238 0.01285 0.03755 0.03513 -0.03515 0.14078 -0.11711 -0.07918 -0.04040 0.00445 -0.03993 0.06530 -0.01158 -0.04465 -0.04899 -0.01937 0.05503 -0.21268 -0.19888 0.14953 -0.19246 0.28728 -0.01517 -0.01165 0.05371 -0.00165 -0.03556 -0.02381 -0.00695 -0.01673 0.05362 0.01315 0.28184 -0.27583 -0.42309 -0.08589 -0.03458 -0.02391 0.00730 -0.01047 -0.00558 0.01727 0.13760 0.00353 0.05586 0.04901 -0.02055 -0.03679 -0.02808 0.02094 -0.05379 0.08528 -0.04501 -0.10177 -0.21874 -0.00553 0.01412 -0.15671 -0.14730 0.10525 -0.24161 0.39842 -0.00567 -0.00388 0.09132 -0.00091 0.00131 -0.00256 0.00140 0.00304 -0.00346 -0.00551 0.00065 -0.00094 -0.00664 0.00209 -0.00390 0.00245 -0.01494 -0.00927 0.02380 0.01156 -0.00421 -0.00111 0.00150 -0.00433 -0.00089 0.00652 -0.00135 -0.00599 0.00527 0.01199 0.00003 -0.00292 -0.00344 -0.01676 0.00143 -0.00111 -0.00015 0.00217 -0.00065 -0.00274 0.00037 -0.00836 -0.00696 -0.00802 0.01588 0.00704 -0.00494 0.00393 0.00591 0.00286 -0.00573 -0.00851 -0.00151 -0.00806 -0.00422 0.00323 -0.00092 0.00394 0.00064 0.00071 0.01046 0.02430 0.03485 0.01712 0.00694 -0.00719 0.00195 -0.00997 -0.00217 -0.00243 -0.02266 -0.02919 -0.06455 -0.16261 -0.00298 -0.03242 0.01181 -0.02924 0.00218 -0.00026 -0.03985 0.07370 0.02990 0.16740 -0.06986 -0.02124 0.07770 -0.00513 0.08122 -0.00242 -0.01819 0.07353 0.08737 -0.03383 0.03773 -0.00631 0.31181 0.05627 0.33507 -0.00332 -0.06017 -0.06574 0.01660 0.01990 0.02447 -0.01603 0.00727 -0.00869 -0.00800 -0.00000 -0.08357 -0.53414 -0.42604 -0.06350 0.00138 -0.02261 0.00615 -0.01363 0.01006 -0.00230 -0.09113 0.08359 0.14676 0.05712 -0.03078 -0.01004 0.05746 0.00139 0.10680 0.00746 0.05368 0.07427 0.30386 -0.01074 0.02003 -0.00784 0.22531 0.04110 0.46230 -0.00836 -0.13289 -0.09676 -0.01334 0.00073 -0.00097 0.00298 -0.00143 -0.00347 0.00271 0.00641 -0.00191 -0.00162 -0.00298 0.00107 -0.00221 0.00990 0.00620 -0.01086 -0.00551 0.02334 0.00122 -0.00339 -0.00254 -0.00186 -0.00017 -0.00845 0.00317 0.00744 -0.00630 -0.01635 0.00214 -0.00011 -0.00553 -0.00973 -0.00314 0.00123 -0.00046 -0.00260 0.00182 0.00464 0.00091 -0.00450 -0.00483 -0.00399 0.00852 0.00718 0.00068 0.00246 -0.00129 0.00593 -0.00186 0.01881 0.01164 -0.00026 -0.03291 -0.00747 0.00263 -0.00620 0.00183 0.00119 0.01254 0.01588 -0.00430 -0.00262 0.05418 0.01006 -0.00243 0.00600 -0.00327 -0.00311 0.00673 -0.04033 0.01489 0.24123 0.19184 0.05527 -0.01850 0.03939 0.00163 -0.00141 -0.01698 -0.01481 0.00639 -0.11610 0.25107 0.10758 -0.09954 0.09612 0.07845 0.01430 -0.03809 -0.00506 0.00144 0.02267 -0.04839 -0.05097 -0.31129 -0.10368 0.32573 0.02360 -0.04871 -0.02464 -0.00299 0.01529 0.20418 0.05549 -0.02752 0.06148 -0.00713 0.00100 -0.31421 0.01672 0.00410 0.07558 0.10109 0.01591 -0.01831 0.01912 0.03122 0.00460 0.11470 -0.07946 0.06559 -0.04539 0.08800 0.07291 -0.05336 0.07781 0.02098 0.03056 -0.14417 -0.14439 0.20455 0.01038 -0.00679 -0.03645 -0.21207 -0.08360 0.41866 0.00896 -0.05251 -0.00419 -0.03982 -0.00006 0.00073 0.00320 -0.00303 -0.00282 -0.00368 -0.00677 -0.00454 -0.00529 0.00064 0.00102 -0.00226 0.01007 0.00621 -0.00962 0.00892 -0.02362 0.00324 -0.00032 -0.00359 -0.00157 0.00091 -0.00862 0.00574 0.00599 0.00719 0.01735 0.00773 0.00202 -0.01106 -0.00981 0.00033 0.00122 -0.00104 -0.00252 -0.00118 -0.00322 0.00894 -0.00109 -0.02251 -0.00510 0.01025 0.00603 0.00044 0.00120 0.00246 -0.00483 0.00521 0.01469 0.00764 0.15642 -0.07108 -0.02166 0.00259 -0.02294 0.00136 0.00052 0.00698 0.03378 0.03151 0.15008 -0.08280 -0.03319 0.01018 -0.03626 -0.01403 -0.00219 0.02601 0.32760 0.49666 -0.00054 -0.00329 -0.00099 -0.00008 -0.00059 -0.00006 0.00034 -0.00135 -0.00084 -0.00051 -0.00425 0.00042 -0.00108 -0.00109 0.00086 -0.00139 0.00219 -0.00113 0.00176 0.00428 0.00098 0.00066 -0.00536 -0.00474 0.00347 -0.00682 0.01054 0.00038 -0.00083 0.00039 0.00783 -0.00232 -0.01158 0.00272 -0.01251 -0.00160 -0.00181 -0.03345 0.04060 0.01911 -0.02444 0.00532 0.02347 -0.00497 0.02600 0.00341 0.00400 0.08334 -0.08378 0.00687 0.14396 0.03471 0.06358 -0.00982 0.05641 0.00051 0.00914 0.06136 -0.05282 -0.01495 -0.11516 0.09380 0.11752 0.03380 0.03166 -0.03333 0.07957 -0.02071 0.16710 0.03262 0.02578 -0.02187 0.18776 0.19435 -0.18341 -0.16574 0.29128 0.05063 0.00206 -0.03018 0.03680 0.04000 0.06588 -0.01873 0.05806 0.01515 0.00691 0.31818 -0.38815 -0.51726 0.06140 0.02461 0.02681 -0.00328 0.03427 -0.00182 0.00648 -0.02488 -0.21380 -0.20690 -0.00300 0.05844 0.07732 0.02044 0.01523 -0.02458 0.10097 -0.18184 0.59027 -0.11565 0.00023 -0.01330 0.13907 0.15035 -0.13796 -0.24956 0.41141 0.13873 -0.08962 0.00380 -0.00109 0.00026 -0.00277 0.00143 0.00351 0.00328 0.00661 0.00010 -0.00458 -0.00355 0.00216 -0.00321 0.00524 -0.01490 -0.00676 -0.02552 -0.00974 0.00452 0.00573 -0.00040 -0.00356 0.00099 0.00675 -0.00206 -0.00561 -0.00596 -0.01286 -0.00203 -0.00418 -0.00616 -0.01150 0.00575 -0.00186 0.00069 0.00088 -0.00001 0.00362 -0.00418 -0.00860 -0.01730 -0.00907 0.00718 0.00429 -0.00428 0.00073 -0.00591 -0.00303 0.00210 -0.01160 -0.01090 -0.01976 0.05959 0.02874 -0.00527 0.02695 0.00083 0.00252 -0.00128 0.05156 0.04517 -0.02299 0.05951 0.03317 -0.00639 0.03398 0.00447 0.00947 0.01215 0.55042 0.62747 -0.00312 0.00143 -0.00003 0.00017 -0.00019 -0.00001 -0.00003 -0.00051 -0.00230 -0.00126 0.00184 0.00050 0.00035 0.00178 0.00072 0.00311 -0.00004 -0.00004 -0.00354 -0.00292 -0.00031 0.00035 -0.00032 0.00789 0.00120 0.01241 -0.00007 -0.00276 -0.00132 0.00258 -0.00880 0.00682 0.00709 -0.00302 0.00787 0.00206 0.00098 0.00839 0.02205 0.00496 0.01746 -0.01750 -0.01732 0.00636 -0.01665 0.00201 -0.00118 0.00208 -0.03745 0.00934 -0.11467 0.02887 -0.04114 0.00953 -0.05043 -0.00981 -0.00156 -0.00712 -0.05666 -0.11884 0.15263 -0.16142 -0.01181 -0.02042 -0.11058 -0.04563 -0.08182 -0.02663 -0.00915 0.03130 -0.04398 0.01380 0.24863 -0.14862 -0.17163 -0.16891 -0.32175 -0.00470 0.00423 -0.00826 0.01059 -0.05731 -0.00940 0.03054 -0.01880 -0.09783 0.02476 -0.10714 -0.40188 0.18044 0.03031 0.07618 0.00362 -0.00840 -0.01468 0.03033 -0.00607 -0.08229 0.16443 -0.39332 0.08341 -0.04990 0.03415 -0.02282 -0.03585 -0.07137 -0.10168 -0.05376 -0.00954 -0.06057 -0.02646 0.00005 0.15623 -0.11562 -0.13644 -0.18458 -0.40657 -0.00553 -0.01145 0.02789 0.00396 0.00055 0.00382 0.00698 -0.00155 -0.01084 0.00464 -0.00360 -0.00185 -0.01225 0.00041 -0.00354 -0.00464 0.00095 0.00594 -0.00235 -0.01200 0.00040 0.00047 0.00128 -0.00358 -0.00168 -0.00765 -0.01735 0.00133 0.02544 -0.01273 -0.01029 -0.00106 0.00400 -0.01836 -0.00646 -0.00079 0.00465 -0.00220 -0.00489 0.00331 0.00198 0.02112 0.01636 -0.00197 0.00224 0.01283 -0.00334 0.01862 0.00290 -0.00110 0.00949 0.00009 -0.00553 0.12082 -0.06480 -0.01693 0.00175 -0.01706 0.00070 -0.00246 0.01025 0.05060 0.07195 0.13713 -0.06882 -0.02162 -0.00132 -0.01606 0.02578 -0.00664 -0.34660 0.98088 0.34292 0.00038 0.00135 0.00127 -0.00004 0.00103 -0.00055 0.00066 -0.00394 0.00548 -0.00276 0.00294 -0.00066 0.00140 0.00107 -0.00087 -0.00144 0.00293 0.00184 -0.00408 -0.00413 -0.00067 0.00016 0.00506 0.00485 -0.00415 -0.00625 0.01168 0.00183 0.00257 0.00021 -0.00565 -0.05380 -0.00817 0.00321 -0.00167 -0.00660 0.00111 -0.06175 -0.05870 0.01754 0.01069 0.10727 0.02068 -0.00672 0.01131 0.00927 -0.00295 0.05007 0.08247 -0.00697 -0.00363 -0.09297 -0.09431 0.01510 -0.10665 0.03826 0.00121 0.27365 0.15734 -0.27408 -0.01651 -0.19257 -0.03917 0.01078 -0.02726 -0.00260 -0.00495 -0.06624 -0.06975 0.03500 0.00908 0.07478 -0.02634 -0.00833 -0.04540 0.10245 0.00230 0.20526 0.15413 -0.14634 0.01691 0.09373 0.00099 -0.00572 -0.03040 0.07767 -0.00629 0.57003 0.49866 -0.34978 0.00886 0.03462 0.02293 0.00266 0.03303 -0.02011 0.04850 0.25184 0.11783 -0.29625 0.00677 0.04715 0.00251 -0.00747 0.01496 -0.00766 0.00580 -0.16383 -0.04646 0.21985 0.00860 -0.00609 -0.00014 -0.03241 -0.00288 0.14417 0.03146 0.23419 0.14141 -0.16828 -0.00052 -0.01300 -0.00421 -0.00535 -0.00608 0.01121 -0.00212 -0.00036 0.00201 0.00063 -0.00213 0.00811 -0.00935 0.01075 -0.01108 -0.01300 -0.00474 0.01271 0.00720 0.00239 -0.00285 -0.01942 0.00298 0.00757 0.00681 -0.01564 0.00111 -0.00484 -0.00081 0.00478 -0.00764 -0.00170 -0.00652 0.00104 -0.00851 0.00320 -0.00225 0.00523 0.00400 0.00922 0.00294 0.02129 0.01056 -0.00230 0.00961 -0.00083 -0.00174 -0.00289 0.00120 0.00495 -0.00413 -0.00477 -0.00621 0.00684 0.01511 0.00803 0.02445 -0.03265 0.03021 -0.04803 0.01118 0.01137 0.01526 -0.01516 -0.03473 -0.01843 -0.05067 0.04866 -0.02745 0.07421 -0.07700 0.00754 -0.06195 0.03247 0.03020 0.02110 0.03348 0.09374 -0.00996 0.05252 0.03917 0.08624 -0.04954 -0.01364 -0.07369 0.02086 -0.03684 -0.05104 0.07398 -0.06945 0.00816 0.02073 0.01549 -0.01773 -0.06258 -0.04336 -0.06665 -0.07156 0.00783 -0.10975 0.00829 0.01575 0.03520 -0.03209 -0.05916 -0.05155 -0.22028 0.53347 -0.50411 0.71630 -0.03897 0.00273 -0.01517 0.01412 0.00509 -0.01576 0.00008 0.28669 0.00049 0.18964 0.01833 0.04216 -0.02511 -0.01280 -0.03170 0.03100 -0.05341 -0.16574 0.17034 -0.15365 -0.00650 -0.00662 0.00715 -0.00977 -0.02550 -0.06690 -0.09337 -0.27166 0.03572 -0.37642 0.00687 0.00327 0.00091 -0.00226 -0.00547 -0.00090 -0.00552 0.00427 -0.00387 0.00585 0.00222 -0.00193 0.00256 0.00006 0.00571 -0.00103 -0.00072 -0.00186 -0.00218 -0.01113 -0.00210 -0.00692 0.00943 -0.00203 0.01110 0.00215 0.00285 0.00844 0.00325 0.00038 -0.00405 0.00605 -0.01045 0.00296 -0.00731 0.00306 0.00478 -0.00299 0.00036 0.00614 -0.00069 -0.00072 -0.00085 0.00041 0.00008 0.00070 -0.00120 -0.00486 -0.00117 0.00213 0.04022 0.03305 -0.01605 -0.00628 -0.03367 -0.00485 -0.02056 -0.02215 -0.00025 -0.02689 0.02665 0.01094 -0.02825 0.00689 -0.02903 -0.06756 0.01638 -0.19750 0.04812 -0.33544 -0.00089 0.00096 -0.00130 -0.00057 -0.00089 0.00187 -0.00195 0.00030 -0.00011 0.00472 -0.00109 -0.00021 -0.00058 0.00022 -0.00040 -0.00108 -0.00009 -0.00069 0.00047 -0.00448 0.00130 0.00111 -0.00001 -0.00023 -0.00133 -0.00121 -0.00006 -0.00016 0.00117 -0.00237 -0.05274 0.02146 -0.05590 0.02094 -0.01156 0.01554 0.02465 -0.01958 0.01388 -0.00216 -0.05448 0.02171 -0.07944 0.03197 -0.00697 0.04897 0.12972 -0.51549 0.19404 -0.42543 0.00108 -0.00062 0.00096 -0.00009 0.00042 0.00000 0.00113 -0.00125 0.00141 -0.00148 0.00111 0.00158 -0.00083 -0.00024 -0.00156 0.00035 -0.00094 -0.00278 0.00080 -0.00079 0.00001 0.00031 0.00086 -0.00035 -0.00078 -0.00162 -0.00165 -0.00526 -0.00032 -0.00757 -0.00912 -0.06796 0.06602 -0.00534 0.06905 -0.00974 0.00701 0.01421 0.01361 -0.03060 -0.00823 -0.07888 0.07035 -0.01352 0.11645 0.04963 0.00814 -0.32289 0.44334 -0.56322 -0.00188 -0.00090 0.00023 0.00065 0.00116 -0.00109 0.00118 0.00449 -0.00093 0.00191 0.00023 -0.00138 0.00123 -0.00031 0.00086 0.00001 -0.00031 0.00100 -0.00164 0.00415 0.00003 -0.00033 0.00035 -0.00032 -0.00076 -0.00071 -0.00199 -0.00606 0.00155 -0.00314 -0.00550 -0.00594 0.01244 -0.00394 0.00063 -0.00911 -0.01309 -0.05886 0.04983 -0.01610 0.01324 0.01344 -0.03050 0.00718 -0.00111 0.03001 0.02430 0.08576 -0.05129 0.01872 -0.06942 0.00568 0.03295 -0.01150 -0.03802 -0.01220 -0.02730 0.08027 -0.01418 0.06463 0.07746 0.07333 -0.07686 0.02571 -0.05746 0.01629 0.03879 -0.05201 0.14580 -0.06568 -0.03545 -0.00103 0.02406 -0.02186 0.00279 0.01125 -0.03583 0.05537 0.02271 0.12026 0.01509 0.01623 -0.03866 0.02142 0.01094 0.04635 0.13191 0.91414 -0.77179 0.31233 -0.04035 0.00666 -0.00199 -0.01693 -0.01583 0.08001 -0.06887 0.19563 -0.08641 0.18366 0.03544 0.02831 -0.04566 0.01399 -0.02049 0.03472 0.05112 -0.28874 0.29645 -0.09251 -0.01359 0.00483 0.00095 -0.01272 0.00721 0.05113 -0.03558 0.20304 0.07823 0.46318 0.00669 0.00525 -0.00640 0.00090 -0.00702 0.00070 -0.00042 0.00277 -0.00683 0.00081 -0.00095 0.00230 -0.00438 0.00155 -0.00471 -0.00093 -0.00097 0.00015 0.00263 0.01234 -0.00348 0.00076 -0.00170 -0.00018 -0.00428 -0.00086 -0.00159 -0.00892 -0.00121 -0.00543 -0.00227 0.00804 -0.00714 0.00158 -0.01518 -0.00572 -0.00359 -0.00374 0.00070 -0.00074 -0.00041 -0.00029 0.00080 -0.00026 -0.00052 0.00103 0.00253 -0.00531 0.00229 -0.00196 -0.03227 -0.05981 0.05167 -0.01427 0.07481 0.01611 0.00139 -0.01531 0.01596 0.00193 -0.02699 -0.07683 0.06771 -0.01933 0.10909 0.05403 0.00235 -0.53796 0.69774 -0.13596 -0.00235 -0.00015 0.00137 -0.00027 -0.00008 -0.00094 -0.00119 0.00514 -0.00619 0.00066 -0.00082 -0.00108 0.00015 -0.00019 0.00100 0.00067 -0.00020 -0.00034 -0.00459 0.00085 -0.00072 -0.00022 0.00118 -0.00047 0.00050 -0.00018 -0.00042 0.00540 -0.00179 0.00616 -0.03959 0.02526 -0.00833 0.00136 -0.05432 -0.02251 -0.01164 -0.01850 0.03496 -0.00150 -0.04093 0.02310 -0.00159 0.00919 -0.07260 -0.13351 -0.01698 -0.56352 0.33310 -0.28384 0.00054 -0.00069 0.00029 -0.00022 0.00098 0.00008 -0.00099 -0.00286 0.00117 -0.00127 0.00173 0.00111 -0.00145 0.00055 -0.00042 0.00083 0.00188 -0.00399 0.00277 -0.00301 -0.00006 0.00024 0.00027 -0.00045 -0.00065 0.00005 -0.00181 0.00338 0.00054 0.00760 0.02416 0.02201 -0.02371 -0.00199 -0.01373 0.01040 -0.00264 -0.01274 -0.01058 -0.04617 0.02160 0.01897 -0.00582 -0.00601 -0.04164 -0.04811 -0.04637 -0.35059 0.03771 -0.44775 -0.00081 0.00078 -0.00110 0.00001 -0.00031 0.00200 0.00044 0.00241 0.00027 0.00473 0.00074 0.00098 -0.00083 0.00019 -0.00128 -0.00038 -0.00089 -0.00285 0.00111 -0.00284 -0.00136 -0.00071 0.00077 -0.00003 0.00035 -0.00038 0.00007 0.00050 -0.00022 0.00205 0.01148 0.01778 -0.01944 0.00614 -0.02685 -0.01037 -0.00319 -0.05032 -0.03367 -0.04922 -0.02394 -0.03455 0.03969 -0.01385 0.05166 0.01992 0.00604 0.09232 0.07352 0.08642 0.17174 -0.02154 0.09573 -0.02523 0.11043 0.01977 0.00971 0.05599 -0.04212 -0.07163 -0.06116 -0.19128 0.23210 -0.05003 0.31998 0.04106 0.03770 0.10439 0.06251 -0.10547 0.01507 -0.03341 -0.01043 0.02281 0.09510 0.01225 0.00400 0.00994 0.01792 -0.00201 -0.08412 -0.10890 0.09219 -0.02831 0.14789 0.10051 0.02358 0.63501 0.27822 0.74155 0.12577 -0.00625 0.08198 -0.01644 0.09644 0.02413 0.03917 0.04084 -0.00030 -0.09704 -0.04054 -0.15635 0.20400 -0.03437 0.27746 0.00551 0.06243 0.22922 0.04732 -0.23514 0.00313 -0.02906 0.00183 0.00493 0.07127 0.03055 -0.07314 -0.03252 0.00148 0.00610 0.00532 0.00179 0.00186 -0.00150 -0.00101 0.00021 -0.00110 0.00526 0.01171 0.00188 0.00166 0.00013 -0.01024 0.00638 0.00635 0.01075 0.02163 -0.00049 0.00093 -0.00010 -0.00262 -0.00232 0.00290 -0.00271 -0.00274 -0.00048 -0.00606 -0.00991 -0.00497 0.00906 -0.00441 0.00173 -0.00017 -0.00049 -0.00143 0.00061 -0.00009 0.00922 0.00373 -0.00741 -0.00611 0.00395 -0.00305 0.00185 0.00069 0.00069 0.00414 -0.01539 0.00095 0.00323 -0.03537 0.02008 -0.13457 0.05698 -0.14822 -0.03118 -0.00612 0.03701 0.00043 0.03937 -0.04026 0.00513 -0.19952 0.09313 -0.24940 -0.13434 -0.08740 -0.00058 0.03505 0.32755 0.00000 -0.00336 0.00232 0.00011 0.00395 -0.00438 0.00178 -0.01324 -0.01057 0.00829 0.00210 0.00125 0.00190 -0.00156 0.00063 0.00157 -0.00067 0.01241 0.01164 -0.00687 0.00102 -0.00023 0.00292 -0.00176 0.00301 0.00157 -0.00051 -0.00756 -0.00542 0.00649 -0.04001 -0.04331 -0.03308 0.03319 -0.00478 -0.02840 0.01576 -0.12670 -0.13052 0.07249 -0.04329 -0.02790 -0.03953 0.02332 0.00972 -0.02265 0.04607 -0.77210 -0.51731 0.25122 0.00016 -0.00286 -0.00054 0.00168 0.00101 -0.00420 0.00264 -0.01215 -0.00632 0.00597 -0.00076 0.00769 -0.01493 0.00485 -0.01942 -0.00393 -0.00099 0.00315 -0.00199 0.00040 0.00022 -0.00008 -0.00162 -0.00007 -0.00223 0.00061 -0.00174 -0.00828 -0.00524 0.00902 0.00056 0.00543 -0.00109 0.00443 -0.00099 -0.01254 -0.00065 0.00438 0.00913 -0.00696 -0.00122 -0.01208 0.00278 -0.00920 0.00198 0.02758 0.00049 -0.00213 -0.01839 0.01436 0.01797 0.11564 0.09176 0.03160 0.09157 -0.05671 -0.00950 -0.06320 -0.03447 0.08695 0.08691 0.19467 0.02319 0.05173 0.03078 -0.03995 0.00722 -0.00591 0.00797 -0.05327 0.01163 -0.06971 0.04900 -0.03243 0.04838 0.02709 -0.00178 -0.07911 -0.05646 0.04502 -0.00227 -0.03062 0.00311 -0.02827 0.00468 0.09247 0.00771 -0.06560 -0.07653 0.06214 0.01144 0.07829 0.06655 0.02450 0.06596 -0.05216 -0.01297 -0.06885 -0.03100 0.08514 0.06187 0.13866 0.01560 0.03901 0.01914 -0.02856 0.00263 0.01467 0.00892 -0.05672 0.00773 -0.04719 0.03800 -0.02535 0.03819 0.03037 -0.00124 -0.08874 -0.06807 0.06127 0.00052 -0.00132 0.00084 -0.00009 0.00023 0.00150 -0.00062 0.00634 0.00264 -0.00326 0.00013 0.00229 0.00042 0.00105 -0.00007 0.00051 -0.00072 0.00283 0.00331 -0.00296 0.00220 0.00285 -0.00024 0.00175 -0.00007 -0.00071 -0.00039 -0.00041 -0.00057 -0.00110 -0.00028 -0.00114 -0.00091 0.00016 -0.00098 -0.00081 -0.00088 -0.00233 -0.00209 0.00688 -0.00074 -0.00057 0.00032 0.00000 0.00037 -0.00163 0.00002 0.00192 0.00143 0.00116 0.00099 0.00487 -0.00198 -0.00179 -0.00268 0.00558 0.00029 0.00888 0.01436 0.00785 -0.00179 -0.01045 0.00486 0.00345 0.00624 -0.01029 -0.00211 -0.02021 -0.03091 -0.01793 0.01111 0.07390 0.09056 -0.04556 0.10356 -0.00770 0.01053 -0.11061 -0.06494 0.09010 -0.01303 0.20328 -0.00045 -0.04625 -0.01462 0.04638 0.00367 0.03608 0.04896 0.02061 0.03114 -0.08282 0.04320 0.03104 0.04856 -0.04146 -0.00971 -0.06575 -0.03519 0.05410 -0.00673 -0.03029 0.00955 0.01321 0.01396 -0.05158 0.00195 -0.06383 -0.11583 -0.06305 0.00618 0.05268 0.06756 -0.03356 0.07477 -0.00529 -0.00165 -0.10911 -0.06940 0.08370 -0.00879 0.13909 -0.00154 -0.03497 -0.01347 0.04640 -0.00009 0.04865 0.06355 0.01950 0.02139 -0.06284 0.03129 0.02546 0.03723 -0.04272 -0.00846 -0.07171 -0.02983 0.06658 -0.00055 0.00202 -0.00070 -0.00058 -0.00078 -0.00024 -0.00012 -0.00275 -0.00241 0.00122 0.00015 -0.00116 -0.00053 0.00162 -0.00084 -0.00189 -0.00110 -0.00001 0.00121 0.00319 -0.00111 -0.00044 -0.00044 -0.00027 -0.00058 -0.00143 -0.00079 -0.00391 -0.00421 0.00343 -0.00021 0.00265 -0.00039 -0.00080 -0.00035 -0.00131 0.00040 0.00236 0.00275 -0.00032 0.00006 0.00094 -0.00050 0.00035 0.00008 -0.00127 0.00154 -0.00572 -0.00290 0.00552 1 H 1S 2S 3PX 3PY 3PZ 2 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 3 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 4 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 5 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 6 H 1S 2S 3PX 3PY 3PZ 7 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 8 H 1S 2S 3PX 3PY 3PZ 9 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 10 H 1S 2S 3PX 3PY 3PZ 11 B 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 12 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 13 H 1S 2S 3PX 3PY 3PZ 14 H 1S 2S 3PX 3PY 3PZ 15 H 1S 2S 3PX 3PY 3PZ 16 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 17 H 1S 2S 3PX 3PY 3PZ 18 H 1S 2S 3PX 3PY 3PZ 19 H 1S 2S 3PX 3PY 3PZ 20 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 21 H 1S 2S 3PX 3PY 3PZ 22 H 1S 2S 3PX 3PY 3PZ 23 F 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 24 F 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 1 H 1S|2S|3PX|3PY|3PZ|2 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|3 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|4 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|5 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|6 H 1S|2S|3PX|3PY|3PZ|7 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|8 H 1S|2S|3PX|3PY|3PZ|9 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|10 H 1S|2S|3PX|3PY|3PZ|11 B 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|12 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|13 H 1S|2S|3PX|3PY|3PZ|14 H 1S|2S|3PX|3PY|3PZ|15 H 1S|2S|3PX|3PY|3PZ|16 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|17 H 1S|2S|3PX|3PY|3PZ|18 H 1S|2S|3PX|3PY|3PZ|19 H 1S|2S|3PX|3PY|3PZ|20 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|21 H 1S|2S|3PX|3PY|3PZ|22 H 1S|2S|3PX|3PY|3PZ|23 F 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|24 F 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2 0.53254 0.32216 0.00747 0.00195 0.00258 1.99655 0.67866 0.74605 0.74775 0.56695 0.49130 0.24955 0.18337 0.41607 0.00325 0.00273 0.00599 0.01288 0.00994 1.99656 0.67958 0.75499 0.74120 0.55659 0.51787 0.21020 0.27442 0.41873 0.00283 0.00604 0.00321 0.01129 0.01270 1.99652 0.67902 0.75072 0.74225 0.56605 0.50732 0.21109 0.24568 0.41581 0.00289 0.00558 0.00397 0.01021 0.01249 1.99689 0.67172 0.76331 0.75681 0.55631 0.53407 0.18111 0.16997 0.39904 0.00282 0.00519 0.00417 0.00973 0.00912 0.53241 0.31908 0.00270 0.00657 0.00267 1.99653 0.67694 0.75769 0.73123 0.58298 0.47856 0.19167 0.23840 0.42948 0.00287 0.00623 0.00334 0.00974 0.01186 0.53251 0.31947 0.00389 0.00535 0.00280 1.99662 0.67851 0.65412 0.77164 0.61390 0.41221 0.08489 0.15595 0.40643 0.00453 0.00650 0.00703 0.01913 0.01778 0.53048 0.32919 0.00279 0.00656 0.00296 1.99597 0.51203 0.41932 0.51750 0.39675 0.11964 0.11639 0.10279 0.08406 0.03410 0.02987 0.03361 0.02453 0.03041 1.99645 0.65772 0.71863 0.73143 0.63685 0.57110 0.32389 0.34110 0.20040 0.01071 0.00738 0.01112 0.01103 0.00283 0.52294 0.29486 0.00269 0.00457 0.00412 0.52800 0.31415 0.00699 0.00228 0.00155 0.52656 0.32589 0.00232 0.00645 0.00198 1.99636 0.65634 0.72151 0.70004 0.66967 0.56881 0.33138 0.28778 0.24654 0.01079 0.00741 0.00847 0.01317 0.00359 0.52706 0.32407 0.00225 0.00687 0.00180 0.52734 0.30903 0.00685 0.00218 0.00179 0.52618 0.30138 0.00294 0.00232 0.00560 1.99730 0.75256 0.79050 0.93832 0.76972 0.87826 0.40008 0.59071 0.38190 0.00991 0.00955 0.00804 0.00915 0.00518 0.55235 0.54551 0.00163 0.00550 0.00161 0.42466 0.36539 0.00153 0.02323 0.00090 1.99731 0.92516 1.12433 1.15597 1.04686 1.01327 0.70457 0.72791 0.62920 0.00394 0.00334 0.00205 0.00062 0.00061 1.99731 0.92640 1.13749 1.05297 1.13713 1.00585 0.72369 0.62196 0.71516 0.00139 0.00063 0.00305 0.00290 0.00302 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 H C C C C H C H C H B C H H H C H H H N H H F F 0.133298 -0.111026 -0.186223 -0.149592 -0.060253 0.136569 -0.117513 0.135977 0.170777 0.128024 0.583043 -0.220628 0.170822 0.147027 0.136792 -0.221856 0.137946 0.152811 0.161570 -0.541178 -0.106597 0.184296 -0.335149 -0.328936 -0.00000 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] alpha 41 42 43 44 45 46 47 48 49 50 O O O O O V V V V V -0.428241 -0.402567 -0.338557 -0.328316 -0.316707 0.058074 0.062856 0.146096 0.168351 0.183974 1.508944 1.969320 1.397706 1.184332 1.531795 1.376399 1.382041 1.290745 1.160259 1.295166 5.876977073390D+02 1.1499 -5.6535 1.4819 5.9565 -50.2996 -82.5113 -72.2106 -27.8033 8.0481 1.0225 18.0409 -14.1708 -3.8701 -27.8033 8.0481 1.0225 -686.0771 -191.7204 7.2915 -352.9299 -180.2640 45.7290 -291.7354 -51.7394 8.9920 10.7915 -6946.5634 -1395.5679 -322.1728 -1214.9446 296.6396 -809.7059 114.1164 78.1958 117.5959 -1897.2620 -1438.9813 -272.2284 102.5007 63.4349 -220.6766 0 -591.2619427 9.035E-9 3.809E-6 13.4129633,-10.5356352,-2.8773281,-20.6710734,5.9835956,0.7602287 C01 [X(C8H12B1F2N1)] 0.4524093 -2.2242438 0.5830256 0.000000100 0.000001580 -0.000001165 0.000000589 0.000001684 -0.000001419 0.000000049 0.000001268 -0.000002298 -0.000000434 0.000000364 -0.000001662 -0.000002330 0.000000647 -0.000000725 0.000000665 0.000001405 0.000001268 -0.000001525 -0.000000107 -0.000001951 -0.000001027 0.000000603 -0.000003001 -0.000002107 -0.000001403 0.000001716 -0.000001077 -0.000000335 -0.000002640 0.000005546 0.000004025 0.000001742 -0.000000171 -0.000000134 0.000000198 0.000001074 0.000002804 0.000000415 0.000000335 -0.000000520 0.000000248 -0.000000601 0.000000999 -0.000001828 0.000001920 0.000003680 0.000000805 -0.000000674 -0.000001390 -0.000002354 -0.000000678 -0.000001902 0.000001309 -0.000001450 -0.000003396 -0.000000510 -0.000004811 0.000000421 0.000003195 -0.000009247 -0.000006720 0.000013069 0.000017425 -0.000002239 -0.000002291 -0.000004684 0.000001348 -0.000010533 0.000003114 -0.000002681 0.000008410 158.90010639999997 AuxInfo=1/0/N:12,16,2,4,3,7,5,9,11,23,24,20;21;22/E:(1,2)(10,11);;/CRV:3.3,4.3,5.3,6.3,7.3,8.3;;/rA:24nHC3C3C3C3HC3HC3HBCHHHCHHHNH0H0FF/rB:s1;s2;s2;s3;s3;s4;s4;s5s7;s7;s5;;s12;s12;s12;;s16;s16;s16;s9s12s16;;;s11;s11;/rC:.3081,.4809,.1419;1.3861,.354,.1491;2.2184,1.437,-.1177;1.9373,-.8931,.4356;3.6094,1.2987,-.1206;1.7835,2.4119,-.3191;3.3189,-1.0577,.4538;1.292,-1.7397,.6477;4.1355,.0335,.1685;3.7483,-2.028,.683;4.5809,2.5265,-.402;6.1519,-.4173,-1.1198;5.7686,.2657,-1.8775;7.2394,-.3185,-1.0714;5.8936,-1.449,-1.3879;6.1471,-.844,1.2817;5.9977,-1.9209,1.1366;7.2209,-.6489,1.335;5.6833,-.5409,2.2218;5.5818,-.0536,.1863;5.77,2.2615,.5108;5.8144,1.379,.3954;5.1926,2.5787,-1.63;4.1972,3.7411,.0803; Gaussian 16 GINC-IRENE3800 ZOUBRITL Me_F-TS1 DZ ES64L-G16RevC.01 RwB97XD GenECP Freq #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RwB97XD/GenECP Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 158.90010639999997 AuxInfo=1/0/N:12,16,2,4,3,7,5,9,11,23,24,20;21;22/E:(1,2)(10,11);;/CRV:3.3,4.3,5.3,6.3,7.3,8.3;;/rA:24nHC3C3C3C3HC3HC3HBCHHHCHHHNH0H0FF/rB:s1;s2;s2;s3;s3;s4;s4;s5s7;s7;s5;;s12;s12;s12;;s16;s16;s16;s9s12s16;;;s11;s11;/rC:.3081,.4809,.1419;1.3861,.354,.1491;2.2184,1.437,-.1177;1.9373,-.8931,.4356;3.6094,1.2987,-.1206;1.7835,2.4119,-.3191;3.3189,-1.0577,.4538;1.292,-1.7397,.6477;4.1355,.0335,.1685;3.7483,-2.028,.683;4.5809,2.5265,-.402;6.1519,-.4173,-1.1198;5.7686,.2657,-1.8775;7.2394,-.3185,-1.0714;5.8936,-1.449,-1.3879;6.1471,-.844,1.2817;5.9977,-1.9209,1.1366;7.2209,-.6489,1.335;5.6833,-.5409,2.2218;5.5818,-.0536,.1863;5.77,2.2615,.5108;5.8144,1.379,.3954;5.1926,2.5787,-1.63;4.1972,3.7411,.0803; Me_F-TS1 DZ Redundant internal coordinates found in file. (old form). Charge = 0 Multiplicity = 1 Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 1 2 2 3 3 4 4 5 5 7 7 9 11 11 11 11 12 12 12 12 16 16 16 16 20 21 2 3 4 5 6 7 8 9 11 9 10 20 21 22 23 24 13 14 15 20 17 18 19 20 22 22 1.0855 1.3916 1.3933 1.3979 1.0863 1.3914 1.0854 1.4004 1.5907 1.3925 1.0855 1.449 1.5223 1.8638 1.3729 1.3621 1.0897 1.093 1.0969 1.4708 1.0968 1.0927 1.0912 1.4644 1.4663 0.8911 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 1 1 3 2 2 5 2 2 7 3 3 9 4 4 9 5 5 7 5 5 5 5 21 21 22 22 23 13 13 13 14 14 15 17 17 17 18 18 19 9 9 9 12 12 16 11 2 2 2 3 3 3 4 4 4 5 5 5 7 7 7 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 16 16 16 16 16 16 20 20 20 20 20 20 22 3 4 4 5 6 6 7 8 8 9 11 11 9 10 10 7 20 20 21 22 23 24 23 24 23 24 24 14 15 20 15 20 20 18 19 20 19 20 20 12 16 22 16 22 22 20 120.1089 119.9306 119.959 121.2332 119.6404 119.124 120.0911 120.2056 119.7031 117.5691 122.125 120.2877 119.1387 120.0823 120.7782 122.0007 115.5843 122.3944 103.6903 81.5666 117.3664 116.9746 101.2416 99.3786 96.3881 125.7295 114.0981 108.9162 109.6785 109.0329 109.275 108.904 110.9999 108.3965 109.1985 112.2365 109.0297 108.6276 109.2981 113.0061 115.2729 95.8171 112.4084 107.864 111.0667 115.8165 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A47 A48 20 20 22 22 21 21 1 1 -1 -2 168.0043 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 180.5881 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 1 1 4 4 1 1 3 3 2 2 6 6 2 2 8 8 3 3 11 11 3 3 3 3 9 9 9 9 4 4 10 10 5 5 5 7 7 7 5 23 24 13 13 13 14 14 14 15 15 15 17 17 17 18 18 18 19 19 19 9 12 16 2 2 2 2 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 7 7 7 7 9 9 9 9 9 9 11 11 11 12 12 12 12 12 12 12 12 12 16 16 16 16 16 16 16 16 16 20 20 20 3 3 3 3 4 4 4 4 5 5 5 5 7 7 7 7 9 9 9 9 11 11 11 11 11 11 11 11 9 9 9 9 20 20 20 20 20 20 22 22 22 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 22 22 22 5 6 5 6 7 8 7 8 9 11 9 11 9 10 9 10 7 20 7 20 21 22 23 24 21 22 23 24 5 20 5 20 12 16 22 12 16 22 20 20 20 9 16 22 9 16 22 9 16 22 9 12 22 9 12 22 9 12 22 11 11 11 -179.7067 0.8671 0.7572 -178.6691 -179.6082 0.2534 -0.0712 179.7904 -0.6397 -179.0943 178.7894 0.3348 -0.6964 179.6233 179.4412 -0.239 -0.1515 -178.5363 178.3328 -0.0519 144.2091 161.9591 -105.1801 36.0185 -34.2044 -16.4544 76.4064 -142.395 0.8161 179.0907 -179.5059 -1.2313 -91.171 137.6476 21.0542 90.4512 -40.7301 -157.3236 31.1809 -85.6275 148.4531 52.9075 -174.4995 -51.7202 171.6334 -55.7737 67.0057 -68.0218 64.5712 -172.6495 73.3306 -58.1352 -179.0935 -166.8279 61.7064 -59.2519 -47.9728 -179.4386 59.6031 -33.4845 82.9764 -153.4263 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. saddle point Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. -0.02303 0.00236 0.00281 0.00582 0.00661 0.01449 0.01517 0.01753 0.01777 0.01852 0.02058 0.02279 0.02352 0.02580 0.02822 0.02917 0.03158 0.03818 0.04636 0.04874 0.04920 0.04954 0.05001 0.06213 0.07074 0.08094 0.10659 0.11252 0.12060 0.12207 0.12482 0.12738 0.13178 0.13801 0.14156 0.15976 0.16891 0.17665 0.18021 0.18160 0.19126 0.19297 0.19756 0.20240 0.22675 0.27041 0.32585 0.33303 0.33636 0.33958 0.34550 0.34819 0.35231 0.35874 0.36328 0.36362 0.36552 0.36750 0.36936 0.37414 0.39729 0.41470 0.43212 0.47649 0.48967 0.52250 R25 R13 R26 A26 A46 1 0.69112 0.41874 -0.35119 -0.20586 -0.19455 A24 D27 D24 D26 D23 Angle between quadratic step and forces= 62.42 degrees. 1 2 0.00012787 0.00000001 0.00000001 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 2.05129 2.62980 2.63300 2.64164 2.05284 2.62942 2.05114 2.64635 3.00607 2.63148 2.05128 2.73820 2.87664 3.52211 2.59434 2.57397 2.05918 2.06550 2.07286 2.77938 2.07264 2.06487 2.06199 2.76724 2.77094 1.68395 2.09629 2.09318 2.09368 2.11592 2.08812 2.07911 2.09599 2.09798 2.08921 2.05197 2.13148 2.09942 2.07936 2.09583 2.10798 2.12931 2.01733 2.13619 1.80974 1.42361 2.04843 2.04159 1.76700 1.73448 1.68229 2.19439 1.99139 1.90095 1.91425 1.90298 1.90721 1.90073 1.93731 1.89188 1.90587 1.95890 1.90293 1.89591 1.90761 1.97233 2.01189 1.67232 1.96190 1.88258 1.93848 2.02138 2.93223 3.15186 -3.13647 0.01513 0.01321 -3.11836 -3.13475 0.00442 -0.00124 3.13794 -0.01116 -3.12579 3.12046 0.00584 -0.01215 3.13502 3.13184 -0.00417 -0.00265 -3.11605 3.11249 -0.00091 2.51692 2.82672 -1.83574 0.62864 -0.59698 -0.28718 1.33354 -2.48526 0.01424 3.12572 -3.13297 -0.02149 -1.59123 2.40240 0.36746 1.57867 -0.71087 -2.74581 0.54421 -1.49448 2.59100 0.92341 -3.04559 -0.90269 2.99557 -0.97343 1.16947 -1.18720 1.12698 -3.01330 1.27986 -1.01465 -3.12577 -2.91170 1.07698 -1.03414 -0.83728 -3.13179 1.04027 -0.58441 1.44821 -2.67779 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00012 0.00022 -0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00006 -0.00007 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00003 0.00003 0.00000 0.00001 -0.00001 -0.00001 0.00002 -0.00002 -0.00007 0.00004 -0.00003 0.00002 0.00017 -0.00014 0.00008 -0.00016 0.00003 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00002 0.00000 -0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00002 0.00002 0.00008 0.00003 -0.00005 -0.00007 -0.00007 -0.00028 -0.00021 -0.00000 0.00001 -0.00000 0.00001 -0.00002 -0.00000 -0.00002 -0.00000 0.00002 0.00000 0.00001 -0.00001 0.00002 0.00003 0.00000 0.00001 -0.00003 -0.00009 -0.00000 -0.00006 0.00009 0.00013 0.00024 0.00029 0.00007 0.00011 0.00022 0.00026 0.00001 0.00007 -0.00001 0.00006 0.00000 -0.00005 -0.00002 -0.00006 -0.00011 -0.00008 -0.00017 -0.00014 -0.00015 0.00026 0.00030 0.00020 0.00025 0.00030 0.00019 0.00026 0.00030 0.00020 0.00020 0.00017 0.00027 0.00021 0.00018 0.00028 0.00021 0.00018 0.00028 0.00015 0.00015 0.00011 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00012 0.00022 -0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00006 -0.00007 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00003 0.00003 0.00000 0.00001 -0.00001 -0.00001 0.00002 -0.00002 -0.00007 0.00004 -0.00003 0.00002 0.00017 -0.00014 0.00008 -0.00016 0.00003 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00002 0.00000 -0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00002 0.00002 0.00008 0.00003 -0.00005 -0.00007 -0.00007 -0.00028 -0.00021 -0.00000 0.00001 -0.00000 0.00001 -0.00002 -0.00000 -0.00002 -0.00000 0.00002 0.00000 0.00001 -0.00001 0.00002 0.00003 0.00000 0.00001 -0.00003 -0.00009 -0.00000 -0.00006 0.00009 0.00013 0.00024 0.00029 0.00007 0.00011 0.00022 0.00026 0.00001 0.00007 -0.00001 0.00006 0.00000 -0.00005 -0.00002 -0.00006 -0.00011 -0.00008 -0.00017 -0.00014 -0.00015 0.00026 0.00030 0.00020 0.00025 0.00030 0.00019 0.00026 0.00030 0.00020 0.00020 0.00017 0.00027 0.00021 0.00018 0.00028 0.00021 0.00018 0.00028 0.00015 0.00015 0.00011 2.05129 2.62980 2.63300 2.64164 2.05284 2.62942 2.05114 2.64635 3.00607 2.63148 2.05128 2.73819 2.87676 3.52233 2.59434 2.57396 2.05919 2.06550 2.07286 2.77938 2.07264 2.06487 2.06198 2.76723 2.77100 1.68388 2.09629 2.09318 2.09368 2.11592 2.08811 2.07911 2.09598 2.09798 2.08922 2.05197 2.13146 2.09944 2.07937 2.09584 2.10797 2.12931 2.01735 2.13617 1.80967 1.42365 2.04840 2.04161 1.76717 1.73435 1.68237 2.19423 1.99142 1.90094 1.91425 1.90297 1.90721 1.90074 1.93733 1.89188 1.90587 1.95890 1.90292 1.89592 1.90761 1.97231 2.01191 1.67240 1.96193 1.88253 1.93841 2.02131 2.93195 3.15164 -3.13648 0.01514 0.01321 -3.11836 -3.13477 0.00442 -0.00126 3.13793 -0.01114 -3.12578 3.12048 0.00583 -0.01214 3.13505 3.13184 -0.00416 -0.00267 -3.11613 3.11249 -0.00097 2.51702 2.82685 -1.83550 0.62893 -0.59691 -0.28708 1.33376 -2.48500 0.01425 3.12579 -3.13297 -0.02143 -1.59123 2.40236 0.36744 1.57861 -0.71098 -2.74590 0.54404 -1.49462 2.59085 0.92367 -3.04529 -0.90249 2.99582 -0.97314 1.16966 -1.18695 1.12728 -3.01310 1.28006 -1.01448 -3.12551 -2.91148 1.07716 -1.03387 -0.83707 -3.13161 1.04055 -0.58426 1.44836 -2.67768 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000012 0.000002 0.000672 0.000128 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -8.922429e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 1 2 2 3 3 4 4 5 5 7 7 9 11 11 11 11 12 12 12 12 16 16 16 16 20 21 2 3 4 5 6 7 8 9 11 9 10 20 21 22 23 24 13 14 15 20 17 18 19 20 22 22 1.0855 1.3916 1.3933 1.3979 1.0863 1.3914 1.0854 1.4004 1.5907 1.3925 1.0855 1.449 1.5223 1.8638 1.3729 1.3621 1.0897 1.093 1.0969 1.4708 1.0968 1.0927 1.0912 1.4644 1.4663 0.8911 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 1 1 3 2 2 5 2 2 7 3 3 9 4 4 9 5 5 7 5 5 5 5 21 21 22 22 23 13 13 13 14 14 15 17 17 17 18 18 19 9 9 9 12 12 16 11 2 2 2 3 3 3 4 4 4 5 5 5 7 7 7 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 16 16 16 16 16 16 20 20 20 20 20 20 22 3 4 4 5 6 6 7 8 8 9 11 11 9 10 10 7 20 20 21 22 23 24 23 24 23 24 24 14 15 20 15 20 20 18 19 20 19 20 20 12 16 22 16 22 22 20 120.1089 119.9306 119.959 121.2332 119.6404 119.124 120.0911 120.2056 119.7031 117.5691 122.125 120.2877 119.1387 120.0823 120.7782 122.0007 115.5843 122.3944 103.6903 81.5666 117.3664 116.9746 101.2416 99.3786 96.3881 125.7295 114.0981 108.9162 109.6785 109.0329 109.275 108.904 110.9999 108.3965 109.1985 112.2365 109.0297 108.6276 109.2981 113.0061 115.2729 95.8171 112.4084 107.864 111.0667 115.8165 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A47 20 22 21 1 -1 168.0043 -DE/DX|=|0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 1 1 4 4 1 1 3 3 2 2 6 6 2 2 8 8 3 3 11 11 3 3 3 3 9 9 9 9 4 4 10 10 5 5 5 7 7 7 5 23 24 13 13 13 14 14 14 15 15 15 17 17 17 18 18 18 19 19 19 9 12 2 2 2 2 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 7 7 7 7 9 9 9 9 9 9 11 11 11 12 12 12 12 12 12 12 12 12 16 16 16 16 16 16 16 16 16 20 20 3 3 3 3 4 4 4 4 5 5 5 5 7 7 7 7 9 9 9 9 11 11 11 11 11 11 11 11 9 9 9 9 20 20 20 20 20 20 22 22 22 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 22 22 5 6 5 6 7 8 7 8 9 11 9 11 9 10 9 10 7 20 7 20 21 22 23 24 21 22 23 24 5 20 5 20 12 16 22 12 16 22 20 20 20 9 16 22 9 16 22 9 16 22 9 12 22 9 12 22 9 12 22 11 11 -179.7067 0.8671 0.7572 -178.6691 -179.6082 0.2534 -0.0712 179.7904 -0.6397 -179.0943 178.7894 0.3348 -0.6964 179.6233 179.4412 -0.239 -0.1515 -178.5363 178.3328 -0.0519 144.2091 161.9591 -105.1801 36.0185 -34.2044 -16.4544 76.4064 -142.395 0.8161 179.0907 -179.5059 -1.2313 -91.171 137.6476 21.0542 90.4512 -40.7301 -157.3236 31.1809 -85.6275 148.4531 52.9075 -174.4995 -51.7202 171.6334 -55.7737 67.0057 -68.0218 64.5712 -172.6495 73.3306 -58.1352 -179.0935 -166.8279 61.7064 -59.2519 -47.9728 -179.4386 59.6031 -33.4845 82.9764 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0.000000 1.085498 0.000000 2.151865 1.391631 0.000000 2.151493 1.393322 2.411341 0.000000 3.411196 2.430672 1.397894 2.812338 0.000000 2.473454 2.147559 1.086318 3.393591 2.147641 0.000000 3.395552 2.412773 2.785906 1.391430 2.442741 3.872058 0.000000 2.481013 2.154343 3.396376 1.085416 3.897751 4.290942 2.147304 0.000000 3.853620 2.768123 2.393159 2.400441 1.400387 3.380288 1.392519 3.385206 0.000000 4.292139 3.396870 3.871381 2.151397 3.425156 4.957489 1.085490 2.473361 2.159718 0.000000 4.768351 3.902582 2.617167 4.402699 1.590746 2.800974 3.895048 5.488084 2.595874 4.755335 0.000000 6.045585 4.991794 4.462640 4.517566 3.226045 5.265731 3.303403 5.337745 2.434875 3.409103 3.413013 0.000000 5.825916 4.829184 4.131905 4.622943 2.969149 4.786992 3.631417 5.517037 2.628038 3.987289 2.949337 1.089672 0.000000 7.081966 6.016882 5.403881 5.541919 4.086110 6.147145 4.271170 6.351861 3.360808 4.264727 3.950868 1.093015 1.776033 0.000000 6.104353 5.092243 4.842491 4.391598 3.791275 5.739485 3.189690 5.040095 2.776876 3.037469 4.301127 1.096908 1.787621 1.785899 0.000000 6.094970 5.038345 4.753550 4.294204 3.605210 5.674861 2.954625 4.977535 2.460828 2.741249 4.080164 2.439182 3.369755 2.646985 2.749079 0.000000 6.255421 5.236150 5.208843 4.246685 4.201216 6.217009 2.896109 4.734504 2.867855 2.297229 4.914584 2.715894 3.730707 2.997415 2.570365 1.096793 0.000000 7.105404 6.037933 5.611275 5.365096 4.353686 6.455154 4.021090 6.067423 3.368342 3.792872 4.479858 2.687459 3.642182 2.429037 3.133094 1.092684 1.775768 0.000000 5.853510 4.854178 4.625098 4.164969 3.629345 5.512135 2.997251 4.816491 2.634723 2.885069 4.184285 3.376566 4.178729 3.649089 3.728132 1.091156 1.783444 1.778226 0.000000 5.300930 4.215614 3.691463 3.748218 2.411055 4.556393 2.490115 4.632306 1.448990 2.739852 2.829184 1.470786 2.096638 2.097512 2.126672 1.464358 2.136093 2.088177 2.095492 0.000000 5.756668 4.794582 3.699895 4.964561 2.448252 4.074724 4.126566 6.006754 2.784362 4.745171 1.522252 3.159185 3.112393 3.364357 4.169958 3.221925 4.235054 3.354800 3.284610 2.345266 0.000000 5.584804 4.552013 3.632908 4.493956 2.265976 4.221968 3.488338 5.499257 2.163414 3.994862 1.863821 2.374119 2.531317 2.657790 3.344323 2.416215 3.387052 2.640723 2.653101 1.466320 0.891108 0.000000 5.603403 4.754303 3.526506 5.188113 2.534366 3.656188 4.590861 6.249038 3.290820 5.353205 1.372868 3.186866 2.396432 3.590982 4.095416 4.593889 5.343027 4.829295 4.980832 3.221632 2.239830 2.434745 0.000000 5.075228 4.402231 3.043731 5.168149 2.520194 2.784292 4.892842 6.229119 3.709182 5.817837 1.362084 4.749026 4.287269 5.202111 5.654311 5.125321 6.034543 5.476218 5.013030 4.040792 2.201884 2.879943 2.295006 0.000000 1.0229350 0.9036856 0.5626264 1 -591.261942699 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 2.3741, EpsInf= 2.2383) Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Keep R1 ints in memory in canonical form, NReq=755956229. There are 75 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 72 vectors produced by pass 0 Test12= 1.10D-14 1.33D-09 XBig12= 5.82D+01 2.86D+00. AX will form 72 AO Fock derivatives at one time. 72 vectors produced by pass 1 Test12= 1.10D-14 1.33D-09 XBig12= 4.30D+00 2.58D-01. 72 vectors produced by pass 2 Test12= 1.10D-14 1.33D-09 XBig12= 5.88D-02 3.42D-02. 72 vectors produced by pass 3 Test12= 1.10D-14 1.33D-09 XBig12= 5.05D-04 3.00D-03. 72 vectors produced by pass 4 Test12= 1.10D-14 1.33D-09 XBig12= 2.50D-06 1.49D-04. 72 vectors produced by pass 5 Test12= 1.10D-14 1.33D-09 XBig12= 9.63D-09 9.09D-06. 57 vectors produced by pass 6 Test12= 1.10D-14 1.33D-09 XBig12= 4.05D-11 6.71D-07. 5 vectors produced by pass 7 Test12= 1.10D-14 1.33D-09 XBig12= 1.60D-13 3.63D-08. 3 vectors produced by pass 8 Test12= 1.10D-14 1.33D-09 XBig12= 6.69D-16 2.69D-09. InvSVY: IOpt=1 It= 1 EMax= 5.33D-15 Solved reduced A of dimension 497 with 75 vectors. Isotropic polarizability for W= 0.000000 114.03 Bohr**3. End of Minotr F.D. properties file 721 does not exist. alpha 41 42 43 44 45 46 47 48 49 50 O O O O O V V V V V -0.428241 -0.402567 -0.338557 -0.328316 -0.316707 0.058074 0.062856 0.146096 0.168351 0.183974 1.508944 1.969320 1.397708 1.184332 1.531793 1.376400 1.382041 1.290746 1.160259 1.295167 5.876977109409D+02 PT14569S 2021-04-14T14:59:04.000 -10.32856 -10.30519 -10.30375 -10.29923 -10.29873 -10.27968 -6.91919 -1.27693 -1.24818 -1.06908 -0.95289 -0.85365 -0.84869 -0.82776 -0.76017 -0.71597 -0.67875 -0.64083 -0.61979 -0.60709 -0.57166 -0.56929 -0.55957 -0.54590 -0.53867 -0.52822 -0.51815 -0.49812 -0.48920 -0.48165 -0.47216 -0.46931 -0.45943 -0.45609 -0.44647 -0.42824 -0.40257 -0.33856 -0.32832 -0.31671 0.05807 0.06286 0.14610 0.16835 0.18397 0.20201 0.21383 0.21990 0.22540 0.23209 0.23487 0.24387 0.26076 0.27247 0.27668 0.28567 0.30826 0.32741 0.33654 0.35246 0.38785 0.40551 0.42395 0.44060 0.45166 0.53199 0.54930 0.55816 0.58019 0.58753 0.59567 0.61181 0.61994 0.64222 0.64957 0.65845 0.69102 0.69670 0.69897 0.71102 0.71599 0.72840 0.74657 0.75831 0.77852 0.80509 0.82028 0.83807 0.87251 0.88575 0.89590 0.91496 0.92253 0.93216 0.93775 0.95073 0.96974 0.97885 0.98472 1.00150 1.01808 1.03572 1.04142 1.05642 1.08742 1.10357 1.11708 1.13585 1.20317 1.21573 1.22456 1.27863 1.28321 1.29308 1.30956 1.31889 1.34469 1.36498 1.41590 1.42485 1.43256 1.46606 1.47614 1.49212 1.50013 1.51257 1.52216 1.53587 1.58978 1.59624 1.61313 1.65156 1.66042 1.68273 1.71494 1.76154 1.78979 1.84142 1.85825 1.87912 1.90502 1.92577 1.93699 1.95540 1.96428 1.97621 1.99527 2.01043 2.02393 2.03418 2.04122 2.05084 2.05591 2.07939 2.08501 2.08998 2.10596 2.11631 2.12109 2.13744 2.15408 2.17254 2.18547 2.18716 2.19985 2.20694 2.23462 2.26167 2.30703 2.33941 2.36903 2.37591 2.37989 2.42200 2.45249 2.45623 2.46979 2.48910 2.50912 2.52051 2.53300 2.56405 2.59559 2.61294 2.64082 2.64518 2.65826 2.66193 2.68724 2.71427 2.72113 2.72537 2.76116 2.76576 2.79276 2.82226 2.83399 2.86256 2.88189 2.89530 2.93351 2.95122 2.97593 3.00447 3.02667 3.09238 3.14297 3.15950 3.18105 3.28097 3.30156 3.32097 3.32789 3.33844 3.42583 3.44485 3.49254 3.50446 3.55033 3.58076 3.59174 3.96262 4.01781 41 42 43 44 45 46 47 48 49 50 O|O|O|O|O|V|V|V|V|V -0.42824 -0.40257 -0.33856 -0.32832 -0.31671 0.05807 0.06286 0.14610 0.16835 0.18397 -0.14852 -0.05122 -0.01777 0.00295 -0.01266 -0.00004 0.00107 -0.00044 0.04976 0.01749 -0.14578 -0.05679 -0.01983 0.00403 -0.01501 -0.00059 0.00402 -0.00079 0.53484 0.31619 -0.00362 -0.00071 -0.00023 0.00007 0.00009 -0.00015 -0.00024 -0.00008 -0.00355 -0.00175 -0.00128 0.00276 -0.00059 0.00043 0.00182 -0.00126 -0.00266 -0.00177 0.00181 0.00083 0.00052 -0.00002 -0.00549 0.00287 0.00519 -0.00545 -0.01089 0.00303 0.00171 -0.00245 -0.00290 -0.01208 -0.00404 0.00086 -0.00348 0.00132 0.00042 0.00436 0.03059 0.00565 0.01084 0.02709 0.00852 -0.00270 0.00709 -0.00088 -0.00111 -0.00587 -0.05937 -0.00015 0.18267 0.10292 0.02562 -0.00329 0.02694 -0.00481 -0.00633 -0.00739 0.07528 0.08923 -0.14510 0.14701 -0.01145 0.01956 0.08678 -0.03852 -0.06710 -0.01715 0.01180 0.00076 0.03695 -0.00631 -0.22621 0.11502 0.20266 -0.15049 -0.29254 0.06333 0.03934 -0.04892 -0.00998 0.05499 0.01993 0.00261 0.01847 -0.01696 -0.01165 -0.10706 -0.31263 -0.25995 0.06401 0.04369 0.01695 0.00142 0.01826 -0.01513 -0.01003 -0.04887 0.24653 0.11049 -0.05339 0.07577 -0.01333 0.02153 0.05793 -0.06300 -0.09017 0.01460 -0.03932 0.01622 0.01520 0.00403 -0.15980 0.08128 0.15271 -0.20945 -0.40413 0.08883 0.07306 -0.07590 0.00238 0.00098 0.00296 0.00666 -0.00080 0.01052 -0.00562 -0.00071 -0.00509 -0.00098 0.00138 0.00017 -0.00605 0.00050 0.00407 0.00050 0.00919 -0.00318 -0.00075 0.00339 -0.00338 -0.00059 -0.00610 -0.01579 0.00197 -0.02383 0.01245 0.00285 0.00344 0.00176 -0.01859 -0.00410 -0.00094 0.00422 -0.00199 0.00604 -0.00249 -0.00056 0.01392 0.00840 -0.00289 0.00489 0.00031 -0.00037 0.00285 -0.00050 0.00270 0.00386 -0.00708 -0.00467 0.00459 0.00907 0.00299 -0.00033 0.00214 -0.00276 -0.00180 -0.01745 0.01669 0.04735 -0.01550 -0.01893 -0.00661 -0.00000 -0.00460 0.00501 0.00370 0.02828 -0.02991 -0.10101 -0.21797 -0.12725 -0.04571 0.00171 -0.02498 0.00238 0.01285 0.03755 0.03513 -0.03515 0.14078 -0.11711 -0.07918 -0.04040 0.00445 -0.03993 0.06530 -0.01158 -0.04465 -0.04899 -0.01937 0.05503 -0.21268 -0.19888 0.14953 -0.19245 0.28728 -0.01517 -0.01165 0.05371 -0.00165 -0.03555 -0.02381 -0.00695 -0.01673 0.05362 0.01315 0.28184 -0.27583 -0.42309 -0.08589 -0.03458 -0.02391 0.00730 -0.01047 -0.00558 0.01727 0.13760 0.00353 0.05586 0.04901 -0.02055 -0.03679 -0.02808 0.02094 -0.05379 0.08528 -0.04501 -0.10176 -0.21874 -0.00553 0.01413 -0.15671 -0.14730 0.10525 -0.24161 0.39842 -0.00567 -0.00388 0.09132 -0.00091 0.00131 -0.00256 0.00140 0.00304 -0.00346 -0.00551 0.00065 -0.00094 -0.00664 0.00209 -0.00390 0.00245 -0.01494 -0.00927 0.02380 0.01156 -0.00421 -0.00111 0.00150 -0.00433 -0.00089 0.00652 -0.00135 -0.00599 0.00527 0.01199 0.00003 -0.00292 -0.00344 -0.01676 0.00143 -0.00111 -0.00015 0.00217 -0.00065 -0.00274 0.00037 -0.00836 -0.00696 -0.00802 0.01588 0.00704 -0.00494 0.00393 0.00591 0.00286 -0.00573 -0.00851 -0.00151 -0.00806 -0.00422 0.00323 -0.00092 0.00394 0.00064 0.00071 0.01046 0.02430 0.03485 0.01712 0.00694 -0.00719 0.00195 -0.00997 -0.00217 -0.00243 -0.02266 -0.02919 -0.06455 -0.16261 -0.00298 -0.03242 0.01181 -0.02924 0.00218 -0.00026 -0.03985 0.07370 0.02990 0.16740 -0.06986 -0.02124 0.07770 -0.00513 0.08122 -0.00242 -0.01819 0.07353 0.08737 -0.03383 0.03773 -0.00631 0.31181 0.05627 0.33507 -0.00332 -0.06017 -0.06574 0.01660 0.01990 0.02447 -0.01603 0.00727 -0.00869 -0.00800 -0.00000 -0.08357 -0.53414 -0.42604 -0.06350 0.00138 -0.02261 0.00615 -0.01363 0.01006 -0.00230 -0.09113 0.08359 0.14676 0.05712 -0.03078 -0.01004 0.05746 0.00139 0.10680 0.00746 0.05368 0.07427 0.30386 -0.01074 0.02003 -0.00784 0.22531 0.04110 0.46230 -0.00836 -0.13289 -0.09676 -0.01334 0.00073 -0.00097 0.00298 -0.00143 -0.00347 0.00271 0.00641 -0.00191 -0.00162 -0.00298 0.00107 -0.00221 0.00990 0.00620 -0.01086 -0.00551 0.02334 0.00122 -0.00339 -0.00254 -0.00186 -0.00017 -0.00845 0.00317 0.00744 -0.00630 -0.01635 0.00214 -0.00011 -0.00553 -0.00973 -0.00314 0.00123 -0.00046 -0.00260 0.00182 0.00464 0.00091 -0.00450 -0.00483 -0.00399 0.00852 0.00718 0.00068 0.00246 -0.00129 0.00593 -0.00186 0.01881 0.01164 -0.00026 -0.03291 -0.00747 0.00263 -0.00620 0.00183 0.00119 0.01254 0.01588 -0.00430 -0.00262 0.05418 0.01006 -0.00243 0.00600 -0.00327 -0.00311 0.00673 -0.04033 0.01489 0.24123 0.19184 0.05527 -0.01850 0.03939 0.00163 -0.00141 -0.01698 -0.01481 0.00639 -0.11610 0.25107 0.10758 -0.09954 0.09612 0.07845 0.01430 -0.03809 -0.00506 0.00144 0.02267 -0.04839 -0.05097 -0.31129 -0.10368 0.32573 0.02360 -0.04871 -0.02464 -0.00299 0.01529 0.20418 0.05549 -0.02752 0.06148 -0.00713 0.00100 -0.31421 0.01672 0.00410 0.07558 0.10109 0.01591 -0.01831 0.01912 0.03122 0.00460 0.11470 -0.07946 0.06559 -0.04539 0.08800 0.07291 -0.05336 0.07781 0.02098 0.03056 -0.14417 -0.14439 0.20455 0.01038 -0.00679 -0.03645 -0.21207 -0.08360 0.41866 0.00895 -0.05251 -0.00419 -0.03982 -0.00006 0.00073 0.00320 -0.00303 -0.00282 -0.00368 -0.00677 -0.00454 -0.00529 0.00064 0.00102 -0.00226 0.01007 0.00621 -0.00962 0.00892 -0.02362 0.00324 -0.00032 -0.00359 -0.00157 0.00091 -0.00862 0.00574 0.00599 0.00719 0.01735 0.00773 0.00202 -0.01106 -0.00981 0.00033 0.00122 -0.00104 -0.00252 -0.00118 -0.00322 0.00894 -0.00109 -0.02251 -0.00510 0.01025 0.00603 0.00044 0.00120 0.00246 -0.00483 0.00521 0.01469 0.00764 0.15642 -0.07108 -0.02166 0.00259 -0.02294 0.00136 0.00052 0.00698 0.03378 0.03151 0.15008 -0.08280 -0.03319 0.01018 -0.03626 -0.01403 -0.00219 0.02601 0.32760 0.49666 -0.00054 -0.00329 -0.00099 -0.00008 -0.00059 -0.00006 0.00034 -0.00135 -0.00084 -0.00051 -0.00425 0.00042 -0.00108 -0.00109 0.00086 -0.00139 0.00219 -0.00113 0.00176 0.00428 0.00098 0.00066 -0.00536 -0.00474 0.00347 -0.00682 0.01054 0.00038 -0.00083 0.00039 0.00783 -0.00232 -0.01158 0.00272 -0.01251 -0.00160 -0.00181 -0.03345 0.04060 0.01911 -0.02444 0.00532 0.02347 -0.00497 0.02600 0.00341 0.00400 0.08334 -0.08378 0.00687 0.14396 0.03471 0.06358 -0.00982 0.05641 0.00051 0.00914 0.06136 -0.05282 -0.01495 -0.11516 0.09380 0.11752 0.03380 0.03166 -0.03333 0.07957 -0.02071 0.16710 0.03262 0.02578 -0.02187 0.18776 0.19435 -0.18341 -0.16574 0.29128 0.05063 0.00206 -0.03018 0.03680 0.04000 0.06588 -0.01873 0.05806 0.01515 0.00691 0.31817 -0.38815 -0.51726 0.06140 0.02461 0.02681 -0.00328 0.03427 -0.00182 0.00648 -0.02488 -0.21380 -0.20690 -0.00300 0.05844 0.07732 0.02044 0.01523 -0.02458 0.10097 -0.18184 0.59028 -0.11565 0.00023 -0.01330 0.13907 0.15035 -0.13796 -0.24956 0.41141 0.13873 -0.08962 0.00380 -0.00109 0.00026 -0.00277 0.00143 0.00351 0.00328 0.00661 0.00010 -0.00458 -0.00355 0.00216 -0.00321 0.00524 -0.01490 -0.00676 -0.02552 -0.00974 0.00452 0.00573 -0.00040 -0.00356 0.00099 0.00675 -0.00206 -0.00561 -0.00596 -0.01286 -0.00203 -0.00418 -0.00616 -0.01150 0.00575 -0.00186 0.00069 0.00088 -0.00001 0.00362 -0.00418 -0.00860 -0.01730 -0.00907 0.00718 0.00429 -0.00428 0.00073 -0.00591 -0.00303 0.00210 -0.01160 -0.01090 -0.01976 0.05959 0.02874 -0.00527 0.02695 0.00083 0.00252 -0.00128 0.05156 0.04517 -0.02299 0.05952 0.03317 -0.00639 0.03398 0.00447 0.00947 0.01215 0.55042 0.62747 -0.00312 0.00143 -0.00003 0.00017 -0.00019 -0.00001 -0.00003 -0.00051 -0.00230 -0.00126 0.00184 0.00050 0.00035 0.00178 0.00072 0.00311 -0.00004 -0.00004 -0.00354 -0.00292 -0.00031 0.00035 -0.00032 0.00789 0.00120 0.01241 -0.00007 -0.00276 -0.00132 0.00258 -0.00880 0.00682 0.00709 -0.00302 0.00787 0.00206 0.00098 0.00839 0.02205 0.00496 0.01746 -0.01750 -0.01732 0.00636 -0.01665 0.00201 -0.00118 0.00208 -0.03745 0.00934 -0.11467 0.02887 -0.04114 0.00953 -0.05043 -0.00981 -0.00156 -0.00712 -0.05666 -0.11884 0.15263 -0.16142 -0.01181 -0.02042 -0.11058 -0.04563 -0.08182 -0.02663 -0.00915 0.03130 -0.04398 0.01380 0.24863 -0.14862 -0.17163 -0.16891 -0.32175 -0.00470 0.00423 -0.00826 0.01059 -0.05731 -0.00940 0.03053 -0.01880 -0.09783 0.02476 -0.10714 -0.40188 0.18043 0.03031 0.07618 0.00362 -0.00840 -0.01468 0.03033 -0.00607 -0.08229 0.16443 -0.39332 0.08341 -0.04990 0.03415 -0.02282 -0.03585 -0.07137 -0.10168 -0.05376 -0.00954 -0.06057 -0.02646 0.00005 0.15623 -0.11562 -0.13644 -0.18458 -0.40657 -0.00553 -0.01145 0.02789 0.00396 0.00055 0.00382 0.00698 -0.00155 -0.01084 0.00464 -0.00360 -0.00185 -0.01225 0.00041 -0.00354 -0.00464 0.00095 0.00594 -0.00235 -0.01200 0.00040 0.00047 0.00128 -0.00358 -0.00168 -0.00765 -0.01735 0.00133 0.02544 -0.01273 -0.01029 -0.00106 0.00400 -0.01836 -0.00646 -0.00079 0.00465 -0.00220 -0.00489 0.00331 0.00198 0.02112 0.01636 -0.00197 0.00224 0.01283 -0.00334 0.01862 0.00290 -0.00110 0.00949 0.00009 -0.00553 0.12082 -0.06480 -0.01693 0.00175 -0.01706 0.00070 -0.00246 0.01025 0.05060 0.07195 0.13713 -0.06882 -0.02162 -0.00132 -0.01606 0.02578 -0.00664 -0.34660 0.98088 0.34292 0.00038 0.00135 0.00127 -0.00004 0.00103 -0.00055 0.00066 -0.00394 0.00548 -0.00276 0.00294 -0.00066 0.00140 0.00107 -0.00087 -0.00144 0.00293 0.00184 -0.00408 -0.00413 -0.00067 0.00016 0.00506 0.00485 -0.00415 -0.00625 0.01168 0.00183 0.00257 0.00021 -0.00565 -0.05380 -0.00817 0.00321 -0.00167 -0.00660 0.00111 -0.06175 -0.05870 0.01754 0.01069 0.10727 0.02068 -0.00672 0.01131 0.00927 -0.00295 0.05007 0.08247 -0.00697 -0.00363 -0.09297 -0.09431 0.01510 -0.10665 0.03826 0.00121 0.27365 0.15734 -0.27408 -0.01651 -0.19257 -0.03917 0.01078 -0.02726 -0.00260 -0.00495 -0.06624 -0.06975 0.03500 0.00908 0.07478 -0.02634 -0.00833 -0.04540 0.10245 0.00230 0.20526 0.15413 -0.14634 0.01691 0.09373 0.00099 -0.00572 -0.03040 0.07767 -0.00629 0.57003 0.49866 -0.34978 0.00886 0.03462 0.02293 0.00266 0.03303 -0.02011 0.04850 0.25184 0.11783 -0.29625 0.00677 0.04715 0.00251 -0.00747 0.01496 -0.00766 0.00580 -0.16383 -0.04646 0.21985 0.00860 -0.00609 -0.00014 -0.03241 -0.00288 0.14417 0.03146 0.23419 0.14141 -0.16828 -0.00052 -0.01300 -0.00421 -0.00535 -0.00608 0.01121 -0.00212 -0.00036 0.00201 0.00063 -0.00213 0.00811 -0.00935 0.01075 -0.01108 -0.01300 -0.00474 0.01271 0.00720 0.00239 -0.00285 -0.01942 0.00298 0.00757 0.00681 -0.01564 0.00111 -0.00484 -0.00081 0.00478 -0.00764 -0.00170 -0.00652 0.00104 -0.00851 0.00320 -0.00225 0.00523 0.00400 0.00922 0.00294 0.02129 0.01056 -0.00230 0.00961 -0.00083 -0.00174 -0.00289 0.00120 0.00495 -0.00413 -0.00477 -0.00621 0.00684 0.01511 0.00803 0.02445 -0.03265 0.03021 -0.04803 0.01118 0.01137 0.01526 -0.01516 -0.03473 -0.01843 -0.05067 0.04866 -0.02745 0.07421 -0.07700 0.00754 -0.06195 0.03247 0.03020 0.02110 0.03348 0.09374 -0.00996 0.05252 0.03917 0.08624 -0.04954 -0.01364 -0.07369 0.02086 -0.03684 -0.05104 0.07398 -0.06945 0.00816 0.02073 0.01549 -0.01773 -0.06258 -0.04336 -0.06665 -0.07156 0.00783 -0.10975 0.00829 0.01575 0.03520 -0.03209 -0.05916 -0.05155 -0.22028 0.53347 -0.50411 0.71629 -0.03897 0.00273 -0.01517 0.01412 0.00509 -0.01576 0.00008 0.28669 0.00049 0.18964 0.01833 0.04216 -0.02511 -0.01280 -0.03170 0.03100 -0.05341 -0.16574 0.17034 -0.15365 -0.00650 -0.00662 0.00715 -0.00977 -0.02550 -0.06690 -0.09337 -0.27166 0.03572 -0.37642 0.00687 0.00327 0.00091 -0.00226 -0.00547 -0.00090 -0.00552 0.00427 -0.00387 0.00585 0.00222 -0.00193 0.00256 0.00006 0.00571 -0.00103 -0.00072 -0.00186 -0.00218 -0.01113 -0.00210 -0.00692 0.00943 -0.00203 0.01110 0.00215 0.00285 0.00844 0.00325 0.00038 -0.00405 0.00605 -0.01045 0.00296 -0.00731 0.00306 0.00478 -0.00299 0.00036 0.00614 -0.00069 -0.00072 -0.00085 0.00041 0.00008 0.00070 -0.00120 -0.00486 -0.00117 0.00213 0.04022 0.03305 -0.01605 -0.00628 -0.03367 -0.00485 -0.02056 -0.02215 -0.00025 -0.02689 0.02665 0.01094 -0.02825 0.00689 -0.02903 -0.06756 0.01638 -0.19750 0.04812 -0.33544 -0.00089 0.00096 -0.00130 -0.00057 -0.00089 0.00187 -0.00195 0.00030 -0.00011 0.00472 -0.00109 -0.00021 -0.00058 0.00022 -0.00040 -0.00108 -0.00009 -0.00069 0.00047 -0.00448 0.00130 0.00111 -0.00001 -0.00023 -0.00133 -0.00121 -0.00006 -0.00016 0.00117 -0.00237 -0.05274 0.02146 -0.05590 0.02094 -0.01156 0.01554 0.02465 -0.01958 0.01388 -0.00216 -0.05448 0.02171 -0.07944 0.03197 -0.00697 0.04897 0.12972 -0.51549 0.19404 -0.42543 0.00108 -0.00062 0.00096 -0.00009 0.00042 0.00000 0.00113 -0.00125 0.00141 -0.00148 0.00111 0.00158 -0.00083 -0.00024 -0.00156 0.00035 -0.00094 -0.00278 0.00080 -0.00079 0.00001 0.00031 0.00086 -0.00035 -0.00078 -0.00162 -0.00165 -0.00526 -0.00032 -0.00757 -0.00912 -0.06796 0.06602 -0.00534 0.06905 -0.00974 0.00701 0.01421 0.01361 -0.03060 -0.00823 -0.07888 0.07035 -0.01352 0.11645 0.04963 0.00814 -0.32289 0.44334 -0.56322 -0.00188 -0.00090 0.00023 0.00065 0.00116 -0.00109 0.00118 0.00449 -0.00093 0.00191 0.00023 -0.00138 0.00123 -0.00031 0.00086 0.00001 -0.00031 0.00100 -0.00164 0.00415 0.00003 -0.00033 0.00035 -0.00032 -0.00076 -0.00071 -0.00199 -0.00606 0.00155 -0.00314 -0.00550 -0.00594 0.01244 -0.00394 0.00063 -0.00911 -0.01309 -0.05886 0.04983 -0.01610 0.01324 0.01344 -0.03050 0.00718 -0.00111 0.03001 0.02430 0.08576 -0.05129 0.01872 -0.06942 0.00568 0.03295 -0.01150 -0.03802 -0.01220 -0.02730 0.08027 -0.01418 0.06463 0.07746 0.07333 -0.07686 0.02571 -0.05746 0.01629 0.03878 -0.05201 0.14580 -0.06567 -0.03545 -0.00103 0.02406 -0.02186 0.00279 0.01125 -0.03583 0.05537 0.02271 0.12026 0.01509 0.01623 -0.03866 0.02142 0.01094 0.04635 0.13191 0.91414 -0.77179 0.31233 -0.04035 0.00666 -0.00199 -0.01693 -0.01583 0.08001 -0.06887 0.19563 -0.08641 0.18366 0.03544 0.02831 -0.04566 0.01399 -0.02049 0.03472 0.05112 -0.28874 0.29645 -0.09251 -0.01359 0.00483 0.00095 -0.01272 0.00721 0.05113 -0.03559 0.20304 0.07823 0.46318 0.00669 0.00525 -0.00640 0.00090 -0.00702 0.00070 -0.00042 0.00277 -0.00683 0.00081 -0.00095 0.00230 -0.00438 0.00155 -0.00471 -0.00093 -0.00097 0.00015 0.00263 0.01234 -0.00348 0.00076 -0.00170 -0.00018 -0.00428 -0.00086 -0.00159 -0.00892 -0.00121 -0.00543 -0.00227 0.00804 -0.00714 0.00158 -0.01518 -0.00572 -0.00359 -0.00374 0.00070 -0.00074 -0.00041 -0.00029 0.00080 -0.00026 -0.00052 0.00103 0.00253 -0.00531 0.00229 -0.00196 -0.03227 -0.05981 0.05167 -0.01427 0.07481 0.01611 0.00139 -0.01531 0.01596 0.00193 -0.02699 -0.07683 0.06771 -0.01933 0.10909 0.05403 0.00235 -0.53796 0.69774 -0.13596 -0.00235 -0.00015 0.00137 -0.00027 -0.00008 -0.00094 -0.00119 0.00514 -0.00619 0.00066 -0.00082 -0.00108 0.00015 -0.00019 0.00100 0.00067 -0.00020 -0.00034 -0.00459 0.00085 -0.00072 -0.00022 0.00118 -0.00047 0.00050 -0.00018 -0.00042 0.00540 -0.00179 0.00616 -0.03959 0.02526 -0.00833 0.00136 -0.05432 -0.02251 -0.01164 -0.01850 0.03496 -0.00150 -0.04093 0.02310 -0.00159 0.00919 -0.07260 -0.13351 -0.01698 -0.56352 0.33310 -0.28383 0.00054 -0.00069 0.00029 -0.00022 0.00098 0.00008 -0.00099 -0.00286 0.00117 -0.00127 0.00173 0.00111 -0.00145 0.00055 -0.00042 0.00083 0.00188 -0.00399 0.00277 -0.00301 -0.00006 0.00024 0.00027 -0.00045 -0.00065 0.00005 -0.00181 0.00338 0.00054 0.00760 0.02416 0.02201 -0.02371 -0.00199 -0.01373 0.01040 -0.00264 -0.01274 -0.01058 -0.04617 0.02160 0.01897 -0.00582 -0.00601 -0.04164 -0.04811 -0.04637 -0.35059 0.03771 -0.44775 -0.00081 0.00078 -0.00110 0.00001 -0.00031 0.00200 0.00044 0.00241 0.00027 0.00473 0.00074 0.00098 -0.00083 0.00019 -0.00128 -0.00038 -0.00089 -0.00285 0.00111 -0.00284 -0.00136 -0.00071 0.00077 -0.00003 0.00035 -0.00038 0.00007 0.00050 -0.00022 0.00205 0.01148 0.01778 -0.01944 0.00614 -0.02685 -0.01037 -0.00319 -0.05032 -0.03367 -0.04922 -0.02394 -0.03455 0.03969 -0.01385 0.05166 0.01992 0.00604 0.09232 0.07352 0.08642 0.17174 -0.02154 0.09573 -0.02523 0.11043 0.01977 0.00971 0.05599 -0.04212 -0.07163 -0.06116 -0.19128 0.23210 -0.05003 0.31998 0.04106 0.03770 0.10439 0.06251 -0.10547 0.01507 -0.03341 -0.01043 0.02281 0.09510 0.01225 0.00400 0.00994 0.01792 -0.00201 -0.08412 -0.10890 0.09219 -0.02831 0.14789 0.10051 0.02358 0.63502 0.27822 0.74155 0.12577 -0.00625 0.08198 -0.01644 0.09644 0.02413 0.03917 0.04084 -0.00030 -0.09704 -0.04054 -0.15635 0.20400 -0.03437 0.27746 0.00551 0.06243 0.22922 0.04732 -0.23514 0.00313 -0.02906 0.00183 0.00493 0.07127 0.03055 -0.07314 -0.03252 0.00148 0.00610 0.00532 0.00179 0.00186 -0.00150 -0.00101 0.00021 -0.00110 0.00526 0.01171 0.00188 0.00166 0.00013 -0.01024 0.00638 0.00635 0.01075 0.02163 -0.00049 0.00093 -0.00010 -0.00262 -0.00232 0.00290 -0.00271 -0.00274 -0.00048 -0.00606 -0.00991 -0.00497 0.00906 -0.00441 0.00173 -0.00017 -0.00049 -0.00143 0.00061 -0.00009 0.00922 0.00373 -0.00741 -0.00611 0.00395 -0.00305 0.00185 0.00069 0.00069 0.00414 -0.01539 0.00095 0.00323 -0.03537 0.02008 -0.13457 0.05698 -0.14821 -0.03118 -0.00612 0.03701 0.00043 0.03937 -0.04026 0.00513 -0.19952 0.09313 -0.24940 -0.13434 -0.08740 -0.00058 0.03505 0.32755 0.00000 -0.00336 0.00232 0.00011 0.00395 -0.00438 0.00178 -0.01324 -0.01057 0.00829 0.00210 0.00125 0.00190 -0.00156 0.00063 0.00157 -0.00067 0.01241 0.01164 -0.00687 0.00102 -0.00023 0.00292 -0.00176 0.00301 0.00157 -0.00051 -0.00756 -0.00542 0.00649 -0.04001 -0.04331 -0.03308 0.03319 -0.00478 -0.02840 0.01576 -0.12670 -0.13052 0.07249 -0.04329 -0.02790 -0.03953 0.02332 0.00972 -0.02265 0.04607 -0.77210 -0.51731 0.25122 0.00016 -0.00286 -0.00054 0.00168 0.00101 -0.00420 0.00264 -0.01215 -0.00632 0.00597 -0.00076 0.00769 -0.01493 0.00485 -0.01942 -0.00393 -0.00099 0.00315 -0.00199 0.00040 0.00022 -0.00008 -0.00162 -0.00007 -0.00223 0.00061 -0.00174 -0.00828 -0.00524 0.00902 0.00056 0.00543 -0.00109 0.00443 -0.00099 -0.01254 -0.00065 0.00438 0.00913 -0.00696 -0.00122 -0.01208 0.00278 -0.00920 0.00198 0.02758 0.00049 -0.00213 -0.01839 0.01436 0.01797 0.11564 0.09176 0.03160 0.09157 -0.05671 -0.00950 -0.06320 -0.03447 0.08695 0.08691 0.19467 0.02319 0.05173 0.03078 -0.03995 0.00722 -0.00591 0.00797 -0.05327 0.01163 -0.06971 0.04900 -0.03243 0.04838 0.02709 -0.00178 -0.07911 -0.05646 0.04502 -0.00227 -0.03062 0.00311 -0.02827 0.00468 0.09247 0.00770 -0.06560 -0.07653 0.06214 0.01144 0.07829 0.06655 0.02450 0.06596 -0.05216 -0.01297 -0.06885 -0.03100 0.08514 0.06187 0.13866 0.01560 0.03901 0.01914 -0.02856 0.00263 0.01467 0.00892 -0.05672 0.00773 -0.04719 0.03800 -0.02535 0.03819 0.03037 -0.00124 -0.08874 -0.06807 0.06127 0.00052 -0.00132 0.00084 -0.00009 0.00023 0.00150 -0.00062 0.00634 0.00264 -0.00326 0.00013 0.00229 0.00042 0.00105 -0.00007 0.00051 -0.00072 0.00283 0.00331 -0.00296 0.00220 0.00285 -0.00024 0.00175 -0.00007 -0.00071 -0.00039 -0.00041 -0.00057 -0.00110 -0.00028 -0.00114 -0.00091 0.00016 -0.00098 -0.00081 -0.00088 -0.00233 -0.00209 0.00688 -0.00074 -0.00057 0.00032 0.00000 0.00037 -0.00163 0.00002 0.00192 0.00143 0.00116 0.00099 0.00487 -0.00198 -0.00179 -0.00268 0.00558 0.00029 0.00888 0.01436 0.00785 -0.00179 -0.01045 0.00486 0.00345 0.00624 -0.01029 -0.00211 -0.02021 -0.03091 -0.01793 0.01111 0.07390 0.09056 -0.04556 0.10356 -0.00770 0.01053 -0.11061 -0.06494 0.09010 -0.01303 0.20328 -0.00045 -0.04625 -0.01462 0.04638 0.00367 0.03608 0.04896 0.02061 0.03114 -0.08283 0.04320 0.03104 0.04856 -0.04146 -0.00971 -0.06575 -0.03519 0.05410 -0.00673 -0.03029 0.00955 0.01321 0.01396 -0.05158 0.00195 -0.06383 -0.11583 -0.06305 0.00618 0.05268 0.06756 -0.03356 0.07477 -0.00529 -0.00165 -0.10911 -0.06940 0.08370 -0.00879 0.13909 -0.00154 -0.03497 -0.01347 0.04640 -0.00009 0.04865 0.06355 0.01950 0.02139 -0.06284 0.03129 0.02546 0.03723 -0.04272 -0.00846 -0.07171 -0.02983 0.06658 -0.00055 0.00202 -0.00070 -0.00058 -0.00078 -0.00024 -0.00012 -0.00275 -0.00241 0.00122 0.00015 -0.00116 -0.00053 0.00162 -0.00084 -0.00189 -0.00110 -0.00001 0.00121 0.00319 -0.00111 -0.00044 -0.00044 -0.00027 -0.00058 -0.00143 -0.00079 -0.00391 -0.00421 0.00343 -0.00021 0.00265 -0.00039 -0.00080 -0.00035 -0.00131 0.00040 0.00236 0.00275 -0.00032 0.00006 0.00094 -0.00050 0.00035 0.00008 -0.00127 0.00154 -0.00572 -0.00290 0.00552 1 H 1S 2S 3PX 3PY 3PZ 2 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 3 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 4 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 5 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 6 H 1S 2S 3PX 3PY 3PZ 7 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 8 H 1S 2S 3PX 3PY 3PZ 9 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 10 H 1S 2S 3PX 3PY 3PZ 11 B 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 12 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 13 H 1S 2S 3PX 3PY 3PZ 14 H 1S 2S 3PX 3PY 3PZ 15 H 1S 2S 3PX 3PY 3PZ 16 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 17 H 1S 2S 3PX 3PY 3PZ 18 H 1S 2S 3PX 3PY 3PZ 19 H 1S 2S 3PX 3PY 3PZ 20 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 21 H 1S 2S 3PX 3PY 3PZ 22 H 1S 2S 3PX 3PY 3PZ 23 F 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 24 F 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 1 H 1S|2S|3PX|3PY|3PZ|2 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|3 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|4 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|5 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|6 H 1S|2S|3PX|3PY|3PZ|7 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|8 H 1S|2S|3PX|3PY|3PZ|9 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|10 H 1S|2S|3PX|3PY|3PZ|11 B 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|12 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|13 H 1S|2S|3PX|3PY|3PZ|14 H 1S|2S|3PX|3PY|3PZ|15 H 1S|2S|3PX|3PY|3PZ|16 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|17 H 1S|2S|3PX|3PY|3PZ|18 H 1S|2S|3PX|3PY|3PZ|19 H 1S|2S|3PX|3PY|3PZ|20 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|21 H 1S|2S|3PX|3PY|3PZ|22 H 1S|2S|3PX|3PY|3PZ|23 F 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|24 F 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2 0.53254 0.32216 0.00747 0.00195 0.00258 1.99655 0.67865 0.74605 0.74775 0.56695 0.49130 0.24955 0.18337 0.41607 0.00325 0.00273 0.00599 0.01288 0.00994 1.99656 0.67958 0.75499 0.74120 0.55659 0.51787 0.21020 0.27442 0.41873 0.00283 0.00604 0.00321 0.01129 0.01270 1.99652 0.67902 0.75072 0.74225 0.56605 0.50732 0.21109 0.24568 0.41581 0.00289 0.00558 0.00397 0.01021 0.01249 1.99689 0.67172 0.76331 0.75681 0.55631 0.53407 0.18111 0.16997 0.39904 0.00282 0.00519 0.00417 0.00973 0.00912 0.53241 0.31908 0.00270 0.00657 0.00267 1.99653 0.67694 0.75769 0.73123 0.58298 0.47856 0.19167 0.23840 0.42948 0.00287 0.00623 0.00334 0.00974 0.01186 0.53251 0.31947 0.00389 0.00535 0.00280 1.99662 0.67851 0.65412 0.77164 0.61390 0.41221 0.08489 0.15595 0.40643 0.00453 0.00650 0.00703 0.01913 0.01778 0.53048 0.32919 0.00279 0.00656 0.00296 1.99597 0.51203 0.41932 0.51750 0.39675 0.11964 0.11639 0.10279 0.08406 0.03410 0.02987 0.03361 0.02453 0.03041 1.99645 0.65772 0.71863 0.73143 0.63685 0.57110 0.32389 0.34110 0.20040 0.01071 0.00738 0.01112 0.01103 0.00283 0.52294 0.29486 0.00269 0.00457 0.00412 0.52800 0.31415 0.00699 0.00228 0.00155 0.52656 0.32589 0.00232 0.00645 0.00198 1.99636 0.65634 0.72151 0.70004 0.66967 0.56881 0.33138 0.28778 0.24654 0.01079 0.00741 0.00847 0.01317 0.00359 0.52706 0.32407 0.00225 0.00687 0.00180 0.52734 0.30903 0.00685 0.00218 0.00179 0.52618 0.30138 0.00294 0.00232 0.00560 1.99730 0.75256 0.79050 0.93832 0.76972 0.87826 0.40008 0.59071 0.38190 0.00991 0.00955 0.00804 0.00915 0.00518 0.55235 0.54551 0.00163 0.00550 0.00161 0.42466 0.36539 0.00153 0.02323 0.00090 1.99731 0.92516 1.12433 1.15597 1.04686 1.01327 0.70457 0.72791 0.62920 0.00394 0.00334 0.00205 0.00062 0.00061 1.99731 0.92640 1.13749 1.05297 1.13713 1.00585 0.72369 0.62196 0.71516 0.00139 0.00063 0.00305 0.00290 0.00302 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 H C C C C H C H C H B C H H H C H H H N H H F F 0.133298 -0.111026 -0.186223 -0.149592 -0.060253 0.136569 -0.117513 0.135977 0.170776 0.128024 0.583043 -0.220628 0.170822 0.147027 0.136792 -0.221856 0.137946 0.152811 0.161570 -0.541178 -0.106596 0.184296 -0.335149 -0.328936 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 2 3 4 5 7 9 11 12 16 20 23 24 C C C C C C B C C N F F 0.022272 -0.049654 -0.013615 -0.060253 0.010511 0.170776 0.476447 0.234013 0.230471 -0.356882 -0.335149 -0.328936 -0.00000 140.680 -2.953 131.991 -0.939 -12.801 69.431 131.812 -2.847 135.457 -0.456 -12.088 74.255 -821.3887 -4.4339 0.0011 0.0013 0.0016 9.4013 12.5165 92.3800 102.5506 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -821.3880 92.2325 102.5490 124.5595 147.5044 187.3336 216.8987 248.1961 267.9129 288.0668 337.3882 366.1815 387.7563 491.0875 512.8092 548.0122 574.6968 584.1542 664.5264 728.7356 774.7562 788.9656 801.8268 819.4146 907.0195 939.4946 982.9947 992.3584 1021.3203 1073.5439 1080.9139 1086.3067 1122.3638 1154.8735 1188.6007 1199.0115 1220.3657 1237.5824 1250.4193 1279.1572 1317.5861 1342.0937 1354.2718 1372.0269 1461.5059 1488.5129 1498.7439 1503.7718 1509.8342 1520.9548 1532.4594 1541.7409 1570.2419 1661.9442 1694.4794 2387.8826 3052.2326 3055.3310 3139.6948 3143.5066 3182.2739 3206.3643 3207.3421 3216.0512 3226.6162 3236.8076 1.3421 4.6625 5.7775 2.9668 4.3771 2.7460 2.1680 1.2905 1.3956 4.7565 4.2317 3.3010 3.7145 3.4621 3.4191 6.9709 4.2422 3.4094 4.6278 2.0113 2.7654 1.4867 2.2129 2.9939 1.4182 1.5558 1.3801 2.8134 1.3037 2.0399 2.1994 1.8770 1.2716 1.7107 1.6490 1.1683 1.5863 2.4414 5.6765 4.6726 1.6201 2.4829 4.1697 1.3125 1.1599 1.2406 1.1132 1.7868 1.0680 1.0678 1.1071 2.4685 1.0618 6.1015 6.3712 1.0336 1.0398 1.0412 1.0975 1.0997 1.1053 1.1013 1.0864 1.0895 1.0938 1.0987 0.5335 0.0234 0.0358 0.0271 0.0561 0.0568 0.0601 0.0468 0.0590 0.2326 0.2838 0.2608 0.3291 0.4919 0.5297 1.2334 0.8255 0.6855 1.2041 0.6293 0.9780 0.5452 0.8383 1.1844 0.6874 0.8091 0.7857 1.6324 0.8012 1.3851 1.5141 1.3050 0.9438 1.3443 1.3726 0.9896 1.3919 2.2032 5.2293 4.5046 1.6571 2.6350 4.5057 1.4558 1.4598 1.6195 1.4732 2.3806 1.4344 1.4553 1.5319 3.4571 1.5425 9.9294 10.7782 3.4723 5.7074 5.7266 6.3743 6.4024 6.5947 6.6707 6.5845 6.6395 6.7094 6.7820 2026.9691 0.7920 0.9640 1.0025 0.4778 8.4560 2.0379 2.7245 8.6709 1.9510 8.5211 0.4670 0.3151 4.3051 7.9342 15.4586 2.2977 9.0019 49.9047 65.6767 33.3709 15.5066 12.0804 127.7570 2.2080 102.3380 0.4036 44.6319 0.0310 25.2125 9.2492 64.5579 0.4622 57.7432 22.5361 2.5374 31.9214 27.3056 213.0572 192.5641 56.6927 62.3777 10.6224 28.2757 0.9650 7.7974 4.3480 21.4855 15.0456 27.7215 16.4184 28.9987 74.6176 13.7598 34.4609 1671.3801 24.8474 45.5599 28.7464 18.4713 14.1066 4.4477 2.3121 6.4593 30.1755 18.4776 0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.03 -0.01 0.00 0.01 0.01 -0.00 -0.12 0.02 -0.09 -0.01 -0.01 0.01 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.04 -0.02 -0.06 -0.01 -0.01 -0.01 0.03 -0.04 0.06 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.06 -0.01 0.31 0.25 0.27 0.15 0.82 0.19 0.01 0.00 0.03 0.02 -0.01 0.00 -0.02 0.02 0.04 -0.02 0.01 0.03 -0.01 -0.03 -0.11 -0.02 0.04 0.18 -0.01 -0.04 -0.11 -0.01 -0.04 -0.20 -0.02 0.03 0.16 -0.02 0.08 0.32 -0.02 -0.02 -0.00 -0.03 0.05 0.28 0.00 -0.02 -0.00 0.00 0.17 -0.06 -0.05 0.20 0.01 -0.01 0.25 -0.05 0.08 0.17 -0.14 0.01 -0.14 -0.13 0.06 -0.13 -0.31 -0.00 -0.10 -0.09 -0.01 -0.32 -0.08 -0.02 -0.00 -0.01 -0.17 -0.04 0.20 -0.08 -0.06 0.14 0.24 0.03 0.11 -0.15 -0.03 -0.08 0.03 0.01 -0.26 0.03 0.01 -0.15 0.06 -0.04 -0.23 -0.00 0.05 0.10 0.06 -0.04 -0.10 0.08 -0.06 -0.38 -0.01 0.04 0.20 -0.02 0.09 0.20 0.03 -0.01 0.07 -0.03 0.07 0.38 0.01 0.00 -0.07 -0.02 -0.02 0.03 0.04 0.09 0.09 -0.01 -0.13 0.04 -0.14 0.04 -0.06 0.03 -0.12 0.02 0.03 -0.11 -0.04 0.03 -0.12 0.02 0.03 -0.18 0.04 0.02 -0.06 0.07 0.15 -0.03 -0.27 0.07 -0.05 -0.09 -0.18 0.22 -0.15 0.04 -0.08 0.19 0.01 0.07 0.17 0.00 0.04 0.10 0.02 0.03 0.09 -0.01 0.01 -0.00 0.01 -0.00 0.00 0.03 0.04 0.14 -0.01 -0.01 -0.07 -0.01 0.01 -0.01 0.01 -0.02 -0.04 -0.02 -0.03 -0.11 -0.01 -0.00 -0.05 0.18 0.17 0.09 0.24 0.23 0.12 0.17 0.23 0.24 0.28 0.18 -0.07 -0.11 -0.17 0.01 -0.01 -0.16 -0.22 -0.13 -0.11 0.21 -0.27 -0.38 -0.00 0.01 -0.02 0.06 0.04 -0.00 -0.11 0.01 -0.03 0.05 -0.09 -0.01 -0.09 0.01 0.00 -0.05 0.01 0.12 0.36 0.01 0.06 0.18 0.02 0.01 0.01 -0.01 0.04 0.10 0.01 -0.04 -0.16 0.03 0.03 0.07 -0.01 -0.02 -0.09 -0.01 0.07 0.21 -0.00 -0.05 -0.17 -0.02 -0.03 -0.12 -0.00 -0.01 -0.06 0.14 -0.16 0.01 0.26 -0.18 -0.07 0.14 -0.22 0.14 0.12 -0.16 0.03 -0.10 0.13 0.09 -0.08 0.10 0.26 -0.11 0.14 0.16 -0.20 0.29 -0.01 -0.00 -0.05 -0.09 -0.03 -0.06 -0.03 -0.02 -0.05 -0.10 0.08 0.16 -0.00 -0.10 -0.09 0.08 -0.05 -0.02 0.00 -0.05 -0.02 -0.01 -0.06 -0.03 -0.06 -0.05 -0.00 0.06 -0.05 -0.03 -0.05 -0.06 -0.04 -0.09 -0.05 -0.01 0.03 -0.05 0.01 0.14 -0.05 -0.03 -0.05 -0.04 0.00 0.07 0.01 -0.05 0.00 0.08 0.13 -0.02 -0.21 -0.10 -0.08 0.04 0.60 -0.03 0.52 -0.00 0.07 0.01 0.13 -0.01 0.13 0.11 0.06 -0.01 0.25 -0.00 -0.03 0.15 -0.03 -0.05 0.01 -0.05 -0.00 -0.02 0.02 -0.07 0.02 -0.02 -0.00 -0.08 -0.00 0.17 -0.04 0.10 -0.02 -0.16 0.06 -0.01 -0.11 0.03 -0.07 -0.07 -0.03 0.05 -0.08 0.07 -0.06 0.03 -0.04 -0.15 -0.11 -0.05 0.05 0.01 0.01 0.10 -0.10 0.12 -0.02 0.05 -0.04 0.12 0.04 0.01 -0.01 0.04 -0.01 -0.03 -0.01 -0.01 0.29 0.22 0.04 0.00 -0.43 0.11 -0.39 0.11 -0.15 -0.10 0.00 -0.00 0.09 -0.01 -0.15 -0.14 0.16 0.22 -0.32 -0.18 -0.05 -0.02 0.04 -0.02 -0.05 0.01 0.03 -0.03 0.02 0.00 0.03 0.01 0.01 0.13 0.08 0.01 -0.00 0.07 -0.03 -0.00 0.05 -0.02 0.02 0.03 0.01 -0.03 0.03 -0.02 0.01 -0.02 0.02 0.06 0.05 0.02 -0.03 -0.00 0.00 -0.05 0.05 -0.04 -0.00 -0.02 0.01 -0.04 -0.01 0.01 0.00 -0.03 0.01 -0.01 -0.01 -0.00 0.09 0.06 0.01 -0.00 -0.14 0.03 -0.12 0.03 -0.05 0.08 0.05 -0.01 0.57 0.01 -0.24 -0.02 0.51 0.28 -0.27 -0.32 -0.06 -0.00 -0.00 -0.00 0.03 0.01 -0.00 -0.00 0.02 -0.01 -0.01 -0.03 0.00 -0.03 -0.04 0.01 -0.01 0.04 -0.01 -0.01 0.03 -0.01 0.00 0.01 -0.01 -0.02 0.03 0.00 -0.00 -0.02 0.00 0.03 0.03 -0.02 -0.02 0.00 0.00 -0.03 0.04 0.02 0.00 -0.02 -0.01 -0.05 -0.01 0.01 -0.01 -0.04 0.01 0.04 0.08 -0.02 0.40 0.40 0.08 0.07 -0.34 0.16 -0.31 0.25 -0.30 0.03 0.05 0.00 -0.17 0.06 0.19 0.07 -0.12 -0.17 0.21 0.27 0.03 0.01 0.01 -0.01 0.00 0.01 0.03 -0.01 0.03 0.02 -0.02 -0.07 0.01 -0.01 -0.05 0.02 0.00 0.02 0.19 -0.01 -0.03 0.11 0.01 -0.04 0.10 -0.05 -0.10 -0.10 0.01 -0.05 -0.04 -0.00 -0.03 0.16 -0.05 -0.10 -0.06 -0.08 -0.12 -0.24 -0.05 -0.05 0.09 -0.03 -0.11 -0.13 0.07 -0.04 -0.13 -0.21 0.17 0.03 -0.25 0.31 0.18 -0.20 0.12 -0.08 -0.28 0.23 -0.13 0.07 0.05 0.09 0.10 0.04 0.18 0.06 0.11 -0.04 0.16 0.10 0.12 -0.07 -0.01 0.12 0.10 0.01 -0.13 -0.03 0.01 0.02 0.14 0.18 -0.10 0.07 -0.09 -0.05 -0.10 0.02 -0.06 -0.11 -0.02 -0.02 -0.05 -0.05 0.02 -0.14 -0.03 0.01 -0.04 -0.03 0.03 -0.04 -0.04 0.03 -0.13 -0.04 0.03 -0.15 -0.02 0.01 -0.05 -0.08 0.00 -0.15 -0.05 0.05 -0.05 0.07 0.02 0.17 -0.08 0.04 0.36 0.00 0.02 0.16 -0.16 0.26 0.16 -0.05 -0.08 0.21 -0.02 -0.04 0.28 -0.04 0.06 0.21 0.08 -0.26 0.38 0.01 0.03 -0.01 -0.13 -0.02 -0.08 -0.14 0.05 -0.04 -0.16 0.00 -0.01 0.14 0.05 0.08 0.17 -0.11 0.00 -0.10 -0.36 0.01 -0.05 -0.14 0.02 0.03 0.21 -0.01 -0.04 -0.06 0.02 0.00 0.09 0.02 0.06 0.37 -0.00 0.03 0.23 -0.01 -0.07 -0.19 -0.01 -0.02 0.01 -0.01 0.07 0.42 0.03 -0.02 -0.02 0.07 0.01 -0.10 0.13 0.06 -0.08 0.07 0.05 0.01 0.13 0.03 -0.19 -0.14 0.05 -0.00 -0.12 0.04 0.10 -0.15 0.06 0.14 -0.27 0.15 -0.10 -0.02 -0.05 -0.11 0.09 -0.06 -0.08 0.04 -0.06 -0.10 0.04 0.06 -0.02 -0.01 -0.04 -0.03 0.10 0.09 -0.04 0.10 0.03 -0.02 0.14 -0.04 -0.10 0.00 0.01 0.10 0.11 -0.06 0.08 0.18 -0.04 -0.20 -0.01 -0.11 -0.05 -0.07 0.09 0.22 0.02 -0.12 -0.02 -0.05 -0.15 -0.12 0.01 0.03 0.10 -0.08 0.08 -0.12 -0.20 0.19 0.03 -0.08 0.16 -0.22 -0.04 0.12 -0.29 -0.10 0.04 0.12 -0.02 0.01 0.28 -0.12 0.12 0.28 -0.28 0.18 -0.02 -0.01 -0.11 -0.04 0.06 -0.07 0.10 0.03 -0.07 0.04 -0.09 0.03 0.08 0.01 0.11 -0.10 0.02 -0.01 -0.16 0.01 -0.02 -0.03 0.03 -0.03 -0.05 -0.05 -0.02 0.12 0.03 0.01 0.24 0.02 -0.08 -0.28 -0.05 -0.10 -0.07 -0.09 0.02 0.16 -0.05 -0.02 0.09 -0.06 -0.15 -0.29 0.12 -0.05 0.04 0.04 -0.02 0.07 0.20 -0.12 -0.10 0.05 -0.10 0.22 0.03 -0.06 0.20 -0.08 0.06 -0.15 -0.16 0.09 -0.29 -0.06 -0.04 -0.16 -0.02 -0.04 -0.10 -0.05 0.16 -0.04 0.22 0.24 -0.12 0.02 0.28 -0.08 0.02 0.08 -0.02 0.00 -0.08 -0.05 -0.10 -0.12 -0.13 -0.09 -0.04 0.00 -0.11 -0.02 -0.04 0.00 0.02 0.08 -0.05 0.13 0.19 -0.17 -0.10 -0.31 0.01 0.10 -0.11 0.09 -0.05 0.05 0.02 0.12 0.10 0.06 0.06 -0.40 0.01 0.03 -0.06 0.04 0.01 -0.10 -0.02 0.10 0.02 0.04 0.11 -0.10 0.14 0.03 -0.28 0.04 -0.04 0.10 0.12 -0.07 0.25 0.02 0.06 0.17 -0.06 0.06 0.02 0.04 -0.16 -0.03 0.19 -0.16 -0.21 0.15 -0.19 -0.12 0.08 -0.01 -0.06 -0.05 -0.05 0.03 0.18 0.04 -0.12 0.17 -0.07 -0.05 0.15 -0.01 0.04 -0.05 -0.12 0.08 0.12 0.11 -0.01 0.02 -0.04 0.12 -0.06 -0.08 -0.01 -0.14 -0.03 0.17 -0.13 -0.03 -0.07 0.08 -0.01 0.02 0.05 0.25 -0.09 -0.03 0.01 0.10 0.11 0.05 0.07 -0.04 0.03 0.32 0.06 0.02 -0.02 0.01 0.02 -0.07 0.12 -0.01 0.03 -0.00 0.15 -0.32 0.20 0.02 0.02 -0.20 -0.09 0.00 0.24 0.02 -0.25 -0.00 -0.02 -0.08 0.11 -0.17 -0.15 -0.15 0.18 0.20 -0.10 0.20 0.21 -0.12 0.01 0.14 0.06 -0.16 -0.06 -0.17 -0.06 -0.11 0.08 -0.07 -0.02 0.11 -0.17 -0.19 -0.12 0.02 0.08 -0.14 -0.13 -0.31 0.08 -0.03 0.14 -0.23 -0.05 0.03 0.02 0.09 -0.02 0.06 -0.01 -0.12 0.00 -0.04 -0.11 0.07 -0.06 -0.23 -0.03 -0.01 0.00 -0.04 0.02 0.01 -0.19 0.05 -0.10 -0.03 -0.15 0.29 -0.24 0.00 -0.08 0.17 0.12 -0.03 -0.01 0.17 -0.08 0.07 0.16 -0.09 0.05 -0.06 -0.06 -0.03 0.10 0.08 0.12 0.02 0.26 0.12 0.06 0.18 0.01 0.05 -0.14 0.08 -0.04 -0.15 -0.02 0.03 -0.01 -0.04 -0.02 -0.39 0.05 -0.02 0.12 0.01 -0.08 -0.51 -0.06 0.05 0.19 0.11 -0.04 -0.09 -0.04 -0.02 -0.00 0.04 -0.02 -0.00 0.19 0.01 -0.05 0.03 0.04 0.26 0.18 -0.03 -0.11 -0.05 0.03 -0.07 0.04 0.01 0.03 -0.06 0.12 -0.14 -0.01 0.07 -0.07 -0.13 -0.09 -0.06 -0.06 -0.15 0.08 -0.04 -0.14 -0.01 -0.03 0.00 0.04 0.01 -0.01 -0.02 0.01 0.16 0.23 -0.02 -0.08 0.06 0.09 -0.15 -0.02 -0.11 -0.12 -0.04 0.12 0.11 -0.08 -0.00 -0.16 0.13 -0.08 0.25 -0.01 0.04 -0.21 0.06 -0.00 0.15 -0.11 0.10 0.38 0.16 0.21 -0.02 0.14 -0.02 0.01 0.04 0.00 0.03 0.04 -0.03 0.04 0.09 0.04 0.01 -0.05 0.01 0.00 -0.02 0.10 -0.02 0.07 -0.00 0.10 -0.12 0.08 0.02 0.02 -0.06 -0.06 0.00 0.46 0.10 -0.04 0.18 0.14 0.03 -0.10 0.00 0.08 -0.02 -0.09 -0.09 -0.04 -0.07 0.33 -0.03 0.02 0.03 -0.12 0.08 -0.08 0.04 -0.00 -0.08 -0.07 0.01 0.04 -0.13 0.10 0.05 0.03 -0.10 0.05 -0.01 0.08 0.13 -0.03 -0.06 -0.07 -0.01 -0.04 0.36 0.12 0.01 0.08 0.01 -0.00 -0.02 -0.02 0.02 0.01 0.01 0.01 -0.06 0.01 0.01 -0.06 0.02 -0.03 0.04 0.02 -0.03 0.05 0.02 -0.04 0.05 0.02 -0.02 0.04 0.02 -0.01 0.01 0.48 0.24 -0.43 0.13 0.25 -0.19 0.01 -0.01 -0.00 -0.03 0.03 -0.00 0.13 -0.05 -0.17 0.13 -0.02 -0.01 -0.04 0.14 0.00 -0.08 -0.12 0.07 -0.04 0.10 -0.09 -0.20 0.06 -0.03 -0.07 -0.07 0.02 -0.22 -0.07 -0.13 -0.09 0.04 0.02 0.06 -0.06 -0.19 0.12 -0.00 0.05 0.06 -0.02 -0.11 0.01 -0.04 -0.10 0.07 -0.05 -0.19 0.02 -0.02 -0.08 0.05 -0.05 0.09 0.01 -0.05 0.08 0.06 -0.10 0.16 0.01 -0.05 0.07 0.06 0.03 0.01 -0.31 0.20 0.47 -0.14 0.30 0.23 -0.03 0.00 -0.04 -0.01 -0.03 -0.01 0.04 0.12 0.43 0.02 -0.01 -0.01 0.02 -0.01 -0.06 -0.01 -0.03 -0.08 0.01 0.04 0.14 0.01 0.01 0.08 -0.01 0.01 -0.02 -0.01 0.09 0.43 -0.00 0.00 -0.03 0.01 0.13 0.44 -0.03 -0.00 -0.03 0.01 -0.00 -0.01 -0.00 -0.01 -0.02 0.01 -0.01 -0.02 -0.01 -0.01 0.01 0.00 -0.00 0.00 0.01 -0.00 0.01 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.36 -0.08 0.40 -0.12 -0.06 0.19 0.01 0.01 -0.05 0.01 -0.02 0.01 0.07 0.13 0.43 0.05 -0.03 -0.11 0.01 0.03 0.01 -0.03 -0.04 0.02 -0.01 -0.01 -0.11 -0.01 0.11 0.44 -0.03 -0.03 -0.08 -0.07 0.11 0.49 -0.02 0.07 0.21 0.01 0.01 0.04 -0.07 -0.00 -0.04 0.03 -0.01 -0.04 0.06 -0.01 -0.05 0.03 0.01 0.02 0.06 -0.01 -0.04 -0.01 0.01 -0.01 -0.05 0.02 -0.03 -0.00 -0.04 0.06 -0.05 0.00 -0.03 0.01 0.01 -0.00 0.21 -0.05 -0.31 0.13 -0.10 -0.17 -0.01 -0.01 0.07 0.01 -0.01 -0.01 -0.15 -0.06 0.20 -0.14 -0.01 -0.06 -0.04 -0.05 0.03 0.09 0.10 0.00 0.01 -0.08 -0.09 0.07 0.06 0.30 0.06 -0.00 -0.03 0.19 0.05 0.11 0.04 0.00 0.15 -0.02 -0.07 -0.17 0.20 -0.00 0.12 -0.01 -0.01 0.00 0.06 0.02 0.00 -0.02 0.05 0.14 0.10 -0.02 -0.10 -0.03 0.01 -0.04 0.05 -0.02 0.08 -0.04 0.10 -0.07 -0.02 0.07 -0.05 -0.06 -0.08 -0.02 -0.28 0.18 0.46 -0.20 0.31 0.19 -0.01 -0.00 -0.10 -0.04 0.05 0.01 -0.02 -0.11 -0.43 -0.01 0.01 0.06 -0.00 0.02 0.09 0.01 -0.00 -0.03 0.00 -0.01 -0.06 -0.03 -0.12 -0.51 0.00 -0.03 -0.12 0.01 0.06 0.23 0.01 0.01 0.06 -0.02 0.14 0.64 0.02 0.00 0.01 0.00 -0.01 -0.01 0.02 0.00 -0.01 0.00 0.01 0.03 0.03 -0.01 -0.03 -0.01 0.01 -0.01 0.00 0.00 0.01 -0.01 0.01 0.00 -0.01 0.02 -0.01 -0.01 -0.01 0.00 0.02 0.02 0.01 0.01 0.02 0.00 -0.01 -0.00 0.01 -0.00 0.01 -0.00 -0.06 -0.06 0.03 -0.05 0.00 -0.00 -0.05 0.04 -0.01 -0.01 -0.02 0.01 0.03 0.04 -0.03 -0.10 0.04 0.02 0.01 -0.07 0.02 -0.04 -0.01 -0.02 0.02 -0.01 0.00 -0.05 -0.10 0.01 0.04 0.09 -0.04 -0.01 0.02 0.07 -0.08 0.01 0.10 0.00 -0.02 -0.06 -0.09 0.03 0.10 -0.02 0.04 -0.08 -0.05 0.04 -0.02 -0.02 0.02 0.03 -0.11 0.12 -0.15 0.07 -0.02 -0.00 0.38 -0.30 0.42 0.39 -0.36 0.36 -0.02 -0.01 0.00 -0.01 -0.03 -0.01 -0.01 -0.05 -0.20 0.00 0.01 0.04 0.00 -0.03 -0.10 0.00 0.02 0.09 -0.00 0.01 0.03 0.04 0.13 0.57 0.00 -0.02 -0.09 0.00 -0.13 -0.54 -0.00 0.01 0.03 -0.00 0.12 0.50 -0.01 0.00 -0.00 0.01 -0.00 -0.02 0.02 -0.01 -0.03 0.01 -0.00 0.01 0.02 -0.01 -0.01 -0.00 0.00 0.00 0.01 0.00 -0.01 -0.00 0.00 -0.01 0.02 -0.01 0.02 -0.01 0.01 0.01 0.01 -0.02 0.02 0.01 -0.02 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.08 -0.02 -0.04 0.08 -0.01 0.01 -0.04 0.09 -0.03 -0.07 -0.08 0.03 -0.05 -0.03 0.01 -0.07 0.10 0.06 -0.04 0.07 -0.03 -0.08 -0.09 -0.03 0.09 -0.01 0.01 -0.02 0.09 0.06 -0.01 -0.09 0.07 -0.05 0.01 0.18 -0.19 0.14 0.38 -0.05 0.08 -0.01 -0.05 0.06 -0.04 -0.00 0.04 -0.13 -0.10 0.03 0.04 -0.01 -0.03 0.15 -0.25 0.24 -0.32 0.13 -0.13 -0.05 -0.34 0.08 -0.20 -0.17 0.18 -0.29 0.02 0.01 -0.03 -0.01 0.04 0.01 0.02 0.15 0.63 0.00 -0.03 -0.11 -0.00 0.01 0.07 0.00 0.03 0.08 0.00 0.00 -0.00 -0.05 -0.12 -0.44 -0.00 -0.01 -0.03 -0.01 -0.12 -0.52 0.00 -0.00 -0.01 -0.02 0.05 0.24 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.05 0.09 -0.02 -0.06 0.01 -0.00 0.03 -0.06 0.01 0.01 0.04 -0.01 0.03 0.10 -0.01 -0.03 -0.08 0.04 0.03 -0.09 0.02 -0.06 0.08 -0.03 -0.04 0.02 -0.01 0.02 -0.09 0.06 0.02 0.07 -0.05 -0.10 0.05 0.06 0.18 -0.06 -0.18 -0.11 0.04 0.40 0.10 -0.02 0.13 0.11 -0.07 0.02 -0.11 -0.07 0.23 0.11 -0.19 0.43 -0.25 0.19 -0.25 0.02 0.01 -0.11 -0.24 0.05 -0.07 -0.13 0.09 -0.21 -0.02 -0.01 0.05 0.01 -0.04 -0.01 0.18 -0.27 0.03 0.18 -0.06 0.02 -0.04 -0.12 0.02 0.06 0.16 -0.04 -0.05 -0.00 -0.00 -0.45 -0.29 0.12 -0.12 0.05 -0.01 -0.14 0.33 -0.06 -0.02 -0.02 0.00 -0.53 -0.12 -0.00 0.01 0.01 0.02 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.03 0.01 -0.01 -0.06 0.02 -0.02 0.03 -0.04 0.09 -0.06 0.02 -0.05 0.01 -0.00 -0.00 0.11 -0.01 0.07 0.06 -0.02 0.06 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.04 0.07 -0.03 -0.05 0.01 0.00 0.02 -0.07 0.01 0.01 0.05 -0.01 0.03 0.13 -0.01 -0.10 -0.11 0.06 0.03 -0.10 0.02 -0.10 0.13 -0.02 -0.03 0.03 -0.00 -0.03 -0.13 0.03 0.02 0.07 -0.05 0.06 -0.06 0.03 -0.24 0.16 0.39 0.07 0.07 -0.36 -0.05 0.06 -0.32 -0.05 0.06 -0.03 -0.01 0.08 -0.22 -0.03 0.01 -0.18 0.09 -0.14 0.11 0.03 -0.05 0.05 -0.32 0.08 -0.14 -0.20 0.13 -0.21 -0.02 -0.01 0.05 0.01 -0.05 -0.01 0.01 0.09 -0.02 0.00 0.01 -0.00 0.01 -0.04 0.01 -0.01 0.02 -0.00 -0.01 0.02 -0.00 -0.04 -0.06 0.02 0.01 -0.02 0.00 -0.10 0.09 -0.02 -0.02 0.02 0.01 0.08 0.00 0.00 -0.00 -0.02 0.00 0.06 0.06 -0.00 -0.09 -0.16 -0.13 0.10 -0.23 -0.28 -0.26 0.04 0.40 -0.04 -0.07 -0.06 0.24 -0.17 0.41 -0.11 0.30 -0.11 0.01 0.28 -0.14 0.01 -0.01 0.03 -0.04 0.06 -0.16 -0.10 0.03 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.56 -0.14 0.02 0.06 -0.01 -0.00 -0.11 0.03 -0.03 0.01 -0.00 -0.08 -0.02 -0.01 -0.13 -0.17 0.03 0.08 -0.05 0.01 -0.33 0.22 -0.05 -0.04 0.06 -0.02 0.43 0.10 -0.01 -0.05 -0.07 0.10 -0.02 -0.03 0.02 -0.00 0.09 0.12 -0.03 0.10 0.04 0.08 -0.01 -0.17 0.00 -0.00 0.00 0.01 0.00 -0.01 0.01 -0.04 0.02 0.00 -0.01 0.01 0.02 0.02 -0.02 0.20 -0.03 0.13 0.24 -0.04 0.07 0.03 0.01 -0.06 -0.01 0.02 0.00 0.04 0.27 -0.07 0.01 0.02 -0.00 -0.06 0.02 -0.01 -0.03 -0.04 0.01 0.03 0.03 -0.01 -0.37 -0.10 0.05 0.01 -0.03 0.01 -0.03 -0.04 0.02 0.17 0.01 -0.00 -0.33 -0.19 0.03 -0.00 0.02 0.01 -0.06 0.00 -0.01 0.13 0.02 -0.10 -0.08 0.08 0.30 0.13 -0.04 -0.00 -0.08 -0.04 0.04 0.24 -0.08 0.06 -0.12 0.28 -0.35 0.22 -0.01 0.18 0.02 0.03 -0.03 -0.15 -0.04 -0.00 0.06 -0.00 -0.16 -0.00 -0.00 0.00 0.00 -0.02 -0.01 0.07 0.55 -0.14 0.01 0.05 -0.01 -0.01 -0.01 0.00 0.06 -0.03 0.01 -0.01 -0.00 -0.00 -0.18 -0.08 0.03 -0.03 -0.01 0.00 0.56 -0.38 0.09 -0.04 0.00 0.00 -0.27 -0.10 0.03 -0.00 -0.01 0.00 0.03 0.01 0.01 -0.05 -0.03 0.01 0.04 -0.05 -0.12 -0.07 0.02 0.05 0.03 0.01 -0.01 -0.08 0.03 -0.03 0.04 -0.08 0.11 -0.06 -0.01 -0.04 -0.02 -0.02 0.00 0.05 0.01 -0.00 -0.03 0.01 0.04 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.02 -0.14 0.03 -0.00 -0.00 0.00 0.03 -0.00 0.00 0.04 0.00 -0.00 -0.00 -0.01 0.00 0.24 0.08 -0.04 -0.05 -0.01 0.00 0.22 -0.12 0.03 -0.08 0.03 -0.01 -0.17 -0.06 0.00 -0.03 0.00 0.01 -0.02 -0.10 0.01 0.01 0.20 0.26 -0.05 0.25 0.06 0.17 -0.02 -0.41 -0.01 -0.09 -0.05 0.18 -0.16 0.36 -0.08 0.28 -0.00 0.01 0.28 -0.15 0.05 0.11 0.03 -0.00 0.03 0.02 0.15 -0.02 0.02 0.01 0.00 -0.01 0.01 -0.01 -0.00 0.02 0.18 -0.05 0.00 -0.00 -0.00 -0.02 0.01 -0.00 -0.03 0.01 0.00 -0.00 0.02 0.01 -0.28 -0.10 0.03 0.04 0.03 0.00 -0.06 0.02 -0.01 0.05 -0.07 -0.03 0.16 0.06 -0.06 0.03 0.02 -0.04 -0.03 -0.05 -0.14 0.20 0.04 -0.17 -0.06 0.07 0.31 0.27 -0.12 -0.15 0.01 0.05 -0.13 -0.17 0.05 0.07 0.00 0.00 0.18 -0.20 0.18 -0.27 -0.00 -0.02 0.25 -0.02 0.06 -0.23 -0.27 -0.04 0.30 -0.01 -0.00 0.02 0.00 -0.01 0.00 -0.09 -0.26 0.06 -0.06 -0.04 0.01 0.09 0.03 0.00 -0.01 -0.00 -0.00 0.04 0.17 -0.08 0.20 0.07 -0.08 0.01 -0.07 0.02 0.07 -0.06 0.02 0.04 0.03 -0.01 -0.42 -0.26 0.04 -0.31 0.11 0.43 0.01 0.02 -0.06 0.04 -0.03 -0.13 0.01 -0.11 0.06 0.01 -0.06 0.24 0.02 0.04 -0.03 -0.13 0.07 -0.07 0.04 -0.08 0.09 -0.09 -0.02 -0.06 -0.03 -0.07 0.08 0.11 0.05 -0.16 0.00 0.06 -0.00 0.08 0.01 -0.16 0.04 -0.11 -0.05 0.10 0.24 -0.06 0.07 0.02 -0.00 -0.04 0.02 -0.00 -0.03 0.01 -0.00 -0.09 -0.19 0.03 -0.17 -0.03 0.01 0.01 0.11 -0.03 0.09 -0.07 0.01 0.01 -0.15 0.06 0.47 0.32 -0.07 0.00 0.44 0.09 0.03 -0.02 0.03 -0.11 0.06 0.17 0.02 0.05 -0.10 -0.09 0.03 -0.04 0.00 -0.05 0.02 0.06 -0.06 0.11 -0.01 0.03 0.00 0.01 0.04 -0.01 -0.03 0.05 -0.07 -0.00 0.04 -0.04 -0.35 -0.02 -0.11 0.00 -0.02 -0.01 0.04 -0.15 -0.05 0.08 0.28 -0.06 0.04 -0.04 0.01 0.01 -0.04 0.01 -0.01 -0.02 0.01 -0.18 0.01 0.00 0.70 0.24 -0.09 0.05 0.01 -0.00 -0.14 0.08 -0.02 0.03 0.04 -0.01 -0.43 -0.20 0.04 0.06 0.06 -0.03 -0.01 0.01 -0.01 0.03 -0.01 -0.05 -0.01 -0.02 0.06 0.03 -0.01 0.02 -0.00 0.01 0.00 -0.02 0.02 -0.05 -0.00 0.02 -0.04 0.00 -0.02 0.01 0.02 -0.03 0.01 0.06 0.02 -0.03 -0.10 -0.01 0.13 -0.01 -0.00 0.01 -0.00 -0.01 -0.00 0.02 -0.08 0.01 0.03 0.07 -0.02 -0.05 -0.06 0.02 0.08 -0.01 0.00 0.01 -0.07 0.01 0.21 0.05 -0.02 -0.11 -0.03 0.01 0.13 -0.04 0.01 -0.13 0.06 -0.03 0.28 0.14 -0.04 0.01 0.07 0.01 -0.07 0.07 -0.04 0.18 -0.05 -0.27 -0.05 -0.19 0.21 0.24 -0.08 0.21 -0.08 0.06 -0.02 0.16 0.03 -0.14 -0.05 -0.03 -0.16 0.13 -0.05 0.11 0.16 -0.10 0.08 -0.23 -0.02 0.08 0.31 0.10 -0.36 -0.00 -0.00 0.00 0.01 -0.02 -0.01 -0.02 -0.08 0.01 0.01 0.15 -0.04 -0.19 -0.06 0.02 0.13 -0.15 0.03 0.15 -0.16 0.03 0.22 0.12 -0.04 -0.10 -0.04 0.01 -0.48 0.28 -0.06 0.12 0.22 -0.07 -0.16 -0.08 0.02 -0.01 0.06 0.01 0.06 -0.03 -0.02 -0.14 -0.02 0.09 0.06 0.03 -0.15 -0.14 0.04 -0.09 0.08 -0.02 -0.03 -0.23 0.01 0.13 0.06 -0.02 0.23 -0.17 0.03 -0.17 -0.17 0.02 0.05 -0.12 -0.02 -0.01 0.01 0.01 -0.14 0.00 -0.00 0.00 0.01 -0.02 -0.01 -0.02 -0.09 0.02 -0.00 0.04 -0.01 -0.03 -0.02 0.00 0.03 -0.02 0.00 0.05 -0.01 0.00 0.00 -0.01 0.00 -0.04 -0.02 0.01 -0.00 0.00 -0.00 -0.02 0.05 -0.00 0.05 0.02 0.00 -0.02 -0.00 0.01 -0.03 -0.01 0.02 0.05 0.05 0.03 -0.04 0.04 0.08 0.07 -0.03 0.01 -0.02 0.01 0.03 0.09 0.01 -0.08 -0.01 -0.04 -0.09 0.06 -0.04 0.08 0.07 -0.01 -0.07 0.17 0.11 -0.32 -0.54 -0.09 0.67 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.02 0.01 -0.00 -0.01 -0.00 0.00 0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.03 -0.02 -0.06 -0.24 0.16 0.24 -0.01 0.13 0.38 -0.23 -0.03 0.27 -0.04 0.04 -0.07 0.18 -0.05 0.33 0.00 -0.22 0.38 0.31 -0.27 0.21 -0.00 0.00 -0.02 -0.02 -0.00 -0.00 0.03 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.12 -0.03 -0.02 -0.04 0.01 -0.00 0.03 -0.01 0.02 -0.02 0.00 0.03 -0.02 0.00 -0.05 0.01 -0.00 0.03 0.03 -0.01 -0.14 0.10 -0.02 -0.03 -0.01 0.00 -0.14 -0.03 0.01 -0.01 0.01 0.01 -0.04 0.02 0.07 0.24 -0.16 -0.24 0.00 -0.16 -0.39 0.26 0.03 -0.28 -0.03 0.02 -0.06 0.07 -0.03 0.22 -0.04 -0.07 0.41 0.37 -0.17 0.20 0.00 0.01 -0.00 0.01 -0.06 -0.02 -0.06 -0.04 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.12 0.03 0.02 0.03 -0.01 0.01 -0.02 0.00 -0.03 0.01 -0.00 -0.03 -0.00 0.00 -0.01 -0.03 0.01 -0.00 -0.02 0.00 0.10 -0.09 0.02 0.03 0.02 -0.00 0.03 -0.01 0.01 0.01 0.01 -0.00 -0.02 -0.02 0.02 0.34 0.11 -0.05 -0.02 0.19 -0.27 0.00 -0.03 0.09 0.01 0.05 -0.01 0.03 -0.04 0.48 0.06 -0.20 -0.31 -0.34 -0.46 -0.02 -0.01 0.00 0.00 -0.04 -0.02 -0.03 0.05 -0.01 0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.45 -0.10 -0.06 -0.12 0.03 -0.03 0.07 -0.01 0.11 -0.03 0.00 0.10 -0.02 0.00 -0.00 0.10 -0.02 0.01 0.07 -0.02 -0.33 0.30 -0.07 -0.10 -0.05 0.02 -0.18 0.02 0.00 -0.02 -0.01 -0.00 -0.01 -0.01 -0.04 0.09 0.32 0.22 -0.01 0.02 -0.02 0.08 -0.13 0.35 0.01 0.01 0.03 0.03 -0.01 0.07 0.03 -0.05 -0.29 -0.25 -0.07 -0.08 0.03 0.01 -0.01 -0.02 0.03 0.01 0.02 0.02 -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.08 -0.02 -0.00 -0.02 0.00 -0.02 0.00 0.00 0.02 0.00 -0.00 0.01 0.01 -0.00 0.06 0.04 -0.01 -0.02 0.00 -0.00 -0.02 0.04 -0.01 -0.00 -0.01 0.00 0.02 0.02 -0.01 -0.00 -0.00 0.01 0.01 -0.04 0.02 0.33 -0.12 -0.23 -0.04 0.57 -0.08 -0.48 0.11 -0.03 -0.03 0.00 0.01 0.28 -0.01 -0.20 0.02 -0.21 0.06 0.06 0.24 -0.03 0.00 -0.01 0.02 -0.00 -0.01 0.01 -0.01 0.01 -0.03 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.08 0.02 0.01 0.03 -0.01 0.01 -0.01 0.00 -0.02 -0.00 0.00 -0.02 -0.00 0.00 -0.02 -0.03 0.01 0.01 -0.01 0.00 0.04 -0.04 0.01 0.01 0.01 -0.00 0.03 -0.00 0.00 0.01 -0.00 -0.01 -0.03 -0.02 -0.02 0.37 0.38 0.15 -0.02 0.18 -0.27 0.06 -0.14 0.41 0.01 -0.03 -0.01 -0.31 0.05 -0.16 -0.07 0.34 0.23 0.24 0.08 0.08 -0.01 -0.02 -0.01 0.05 0.00 0.06 -0.05 0.01 -0.07 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.11 0.03 0.00 0.03 -0.01 0.02 -0.00 0.00 -0.03 -0.01 0.00 -0.02 -0.02 0.01 -0.06 -0.04 0.01 0.03 -0.00 0.00 0.01 -0.04 0.01 0.02 0.02 -0.01 -0.09 -0.06 0.01 0.01 0.00 -0.01 -0.01 0.00 -0.01 0.04 0.23 0.17 0.02 -0.21 -0.18 0.29 -0.12 0.15 -0.03 0.01 0.01 0.53 -0.05 -0.18 0.07 -0.48 0.06 -0.03 0.34 -0.11 -0.05 0.01 0.01 -0.01 -0.01 0.01 0.02 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.11 -0.25 0.06 -0.05 0.07 -0.01 0.14 0.05 -0.02 -0.03 -0.08 0.02 -0.04 -0.16 0.04 -0.47 -0.21 0.07 0.16 0.05 -0.01 -0.19 0.01 -0.00 -0.14 0.11 -0.03 -0.47 -0.21 0.05 0.01 0.05 -0.01 0.02 -0.00 -0.01 -0.03 -0.10 -0.08 -0.01 0.19 0.18 -0.24 0.06 0.00 0.00 0.01 0.00 -0.07 0.02 -0.04 -0.00 0.07 -0.06 -0.02 -0.03 0.00 0.05 -0.04 0.01 -0.11 0.07 -0.06 0.13 0.03 0.07 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.02 0.05 -0.01 0.01 -0.02 0.01 -0.02 0.00 -0.00 -0.01 0.02 -0.00 0.00 -0.00 0.00 0.03 0.03 -0.01 -0.00 -0.00 0.00 0.03 -0.01 0.00 0.01 -0.02 0.00 0.05 0.02 -0.00 0.01 0.02 0.01 -0.00 -0.00 0.01 0.03 0.02 0.01 0.00 0.00 -0.06 0.02 -0.01 0.01 0.01 0.00 0.01 -0.05 0.03 -0.07 -0.00 0.03 0.07 0.05 0.03 0.02 -0.03 -0.01 -0.03 -0.46 0.13 -0.39 0.61 0.05 0.45 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.19 -0.24 0.06 -0.11 0.25 -0.06 0.17 -0.06 0.01 0.29 -0.26 0.06 -0.22 0.19 -0.04 -0.15 -0.21 0.06 -0.15 0.11 -0.03 -0.44 0.27 -0.06 0.07 -0.25 0.06 -0.03 0.19 -0.05 0.02 -0.02 0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.00 -0.00 -0.01 -0.04 0.02 0.01 -0.03 -0.01 0.00 -0.00 0.02 -0.00 0.03 -0.01 -0.01 -0.00 0.01 -0.03 0.02 -0.00 0.03 -0.02 -0.05 -0.01 -0.05 0.20 0.00 0.09 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.08 0.31 -0.07 -0.13 -0.24 0.06 0.29 0.18 -0.05 0.14 0.08 -0.02 -0.18 -0.13 0.04 -0.40 -0.10 0.03 -0.29 -0.17 0.05 0.04 0.18 -0.05 0.17 0.24 -0.07 0.41 0.11 -0.03 0.03 0.04 -0.01 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.01 -0.02 0.03 -0.01 -0.01 0.01 0.00 -0.01 -0.01 0.00 -0.01 0.01 -0.02 0.05 0.01 0.01 -0.01 -0.03 -0.01 0.01 0.01 -0.06 -0.00 -0.07 -0.03 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.03 -0.00 -0.02 -0.00 0.00 0.01 0.01 -0.02 -0.01 -0.01 -0.01 -0.01 0.02 0.03 -0.01 -0.00 0.00 -0.01 0.02 0.02 0.03 -0.02 -0.01 0.01 0.01 -0.01 -0.01 -0.00 -0.03 -0.00 0.05 0.87 0.18 0.06 -0.44 -0.09 0.00 0.00 0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.01 -0.03 -0.02 0.09 -0.16 0.17 -0.36 -0.04 -0.02 0.16 0.60 0.15 -0.01 0.03 -0.01 -0.08 -0.50 -0.08 0.27 0.06 0.01 -0.10 0.08 0.21 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.01 -0.03 -0.02 0.07 -0.13 0.14 -0.27 -0.03 -0.01 0.13 0.49 0.13 0.01 -0.04 0.01 0.09 0.62 0.09 -0.32 -0.07 -0.02 0.12 -0.09 -0.26 0.00 -0.00 -0.00 0.00 -0.03 -0.00 -0.00 0.03 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.02 0.01 -0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.01 0.02 -0.03 0.13 0.01 0.01 0.01 0.06 0.02 -0.05 -0.06 -0.04 0.07 0.53 0.08 0.72 0.12 0.02 -0.17 0.10 0.33 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.07 -0.06 0.00 -0.09 0.13 -0.16 0.81 0.07 0.04 0.12 0.48 0.12 0.01 0.01 0.00 -0.01 -0.09 -0.02 -0.11 -0.02 -0.00 0.02 -0.01 -0.03 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.07 -0.02 -0.06 0.03 0.12 0.01 -0.51 -0.10 -0.03 -0.36 0.24 0.72 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.03 0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.05 0.06 -0.05 0.33 -0.58 0.64 0.34 0.04 0.02 -0.05 -0.14 -0.04 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.56 -0.07 0.00 -0.05 0.01 -0.00 0.03 -0.05 0.01 0.02 0.02 -0.01 -0.00 -0.00 0.00 -0.29 0.64 -0.13 0.01 -0.01 0.00 -0.22 -0.29 0.07 0.00 0.00 -0.00 -0.07 0.16 -0.04 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.02 0.02 0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.12 0.01 0.00 0.01 0.00 -0.00 0.02 -0.04 0.01 -0.03 -0.05 0.01 -0.00 -0.00 0.00 -0.22 0.50 -0.10 -0.01 0.04 -0.01 0.40 0.52 -0.13 -0.00 -0.00 0.00 0.18 -0.42 0.10 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.63 -0.07 0.00 -0.06 0.00 -0.00 -0.01 0.03 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 0.14 -0.32 0.07 -0.02 0.05 -0.01 -0.04 -0.04 0.01 -0.00 -0.00 0.00 0.27 -0.61 0.14 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.51 -0.06 0.00 -0.05 0.01 -0.00 -0.01 0.02 -0.00 -0.03 -0.05 0.01 0.00 0.00 -0.00 0.08 -0.19 0.04 0.02 -0.04 0.01 0.38 0.49 -0.12 0.00 0.00 -0.00 -0.21 0.47 -0.11 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 1 6 6 6 6 1 6 1 6 1 5 6 1 1 1 6 1 1 1 7 1 1 9 9 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 1 6 6 6 6 1 6 1 6 1 5 6 1 1 1 6 1 1 1 7 1 1 9 9 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 11.00931 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 14.00307 1.00783 1.00783 18.99840 18.99840 171.10309 1764.27758 1997.08971 3207.70822 0.33615 0.9347 0.11547 0.9009 -0.35487 0.24988 -0.27454 -0.02003 0.96137 asymmetric 1 0.04909 0.04337 0.02700 1.02293 0.90369 0.56263 503724.5 132.70 147.55 179.21 212.23 269.53 312.07 357.10 385.47 414.46 485.43 526.85 557.89 706.57 737.82 788.47 826.86 840.47 956.11 1048.49 1114.70 1135.15 1153.65 1178.95 1305.00 1351.72 1414.31 1427.78 1469.45 1544.59 1555.19 1562.95 1614.83 1661.61 1710.13 1725.11 1755.83 1780.61 1799.07 1840.42 1895.71 1930.97 1948.50 1974.04 2102.78 2141.64 2156.36 2163.59 2172.31 2188.31 2204.87 2218.22 2259.23 2391.17 2437.98 3435.63 4391.48 4395.94 4517.32 4522.80 4578.58 4613.24 4614.65 4627.18 4642.38 4657.04 0.191859 0.203085 0.204029 0.155164 -591.070084 -591.058858 -591.057914 -591.106779 127.438 43.118 102.846 0.000 0.000 0.000 0.889 2.981 41.319 0.889 2.981 30.803 125.660 37.156 30.724 1 0.602 1.955 3.612 2 0.605 1.947 3.405 3 0.610 1.928 3.028 4 0.617 1.905 2.704 5 0.632 1.857 2.254 6 0.646 1.815 1.985 7 0.662 1.766 1.743 8 0.673 1.732 1.610 9 0.685 1.696 1.485 10 0.718 1.601 1.224 11 0.739 1.542 1.096 12 0.756 1.496 1.009 13 0.847 1.270 0.681 14 0.868 1.222 0.627 15 0.903 1.144 0.548 16 0.931 1.086 0.495 17 0.941 1.066 0.478 0.426276e-71 -71.370309 -164.336210 0.755808e+17 16.878412 38.863979 0.402648e-85 -85.395075 -196.629427 1 0.222832e+01 0.347978 0.801250 2 0.200026e+01 0.301087 0.693279 3 0.163888e+01 0.214546 0.494010 4 0.137564e+01 0.138506 0.318922 5 0.106939e+01 0.029137 0.067090 6 0.913141e+00 -0.039462 -0.090865 7 0.787030e+00 -0.104009 -0.239489 8 0.722124e+00 -0.141388 -0.325559 9 0.664548e+00 -0.177474 -0.408649 10 0.551265e+00 -0.258639 -0.595539 11 0.498473e+00 -0.302358 -0.696205 12 0.463741e+00 -0.333724 -0.768429 13 0.337309e+00 -0.471972 -1.086756 14 0.316834e+00 -0.499169 -1.149378 15 0.286912e+00 -0.542251 -1.248578 16 0.266559e+00 -0.574207 -1.322161 17 0.259773e+00 -0.585406 -1.347948 0.713914e+03 2.853646 6.570762 1 0.278373e+01 0.444627 1.023792 2 0.256181e+01 0.408547 0.940714 3 0.221345e+01 0.345070 0.794553 4 0.196369e+01 0.293074 0.674827 5 0.168051e+01 0.225441 0.519096 6 0.154107e+01 0.187822 0.432477 7 0.143242e+01 0.156072 0.359369 8 0.137833e+01 0.139353 0.320872 9 0.133164e+01 0.124387 0.286411 10 0.124424e+01 0.094904 0.218525 11 0.120603e+01 0.081357 0.187332 12 0.118195e+01 0.072599 0.167166 13 0.110314e+01 0.042630 0.098160 14 0.109193e+01 0.038196 0.087949 15 0.107647e+01 0.032002 0.073688 16 0.106662e+01 0.028008 0.064491 17 0.106346e+01 0.026719 0.061523 0.100000e+01 0.000000 0.000000 0.879712e+08 7.944341 18.292520 0.120344e+07 6.080425 14.000697 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 1.1499 -5.6535 1.4819 5.9565 -50.2996 -82.5112 -72.2106 -27.8033 8.0481 1.0225 18.0409 -14.1708 -3.8701 -27.8033 8.0481 1.0225 -686.0770 -191.7204 7.2915 -352.9298 -180.2641 45.7290 -291.7353 -51.7394 8.9920 10.7915 -6946.5614 -1395.5678 -322.1728 -1214.9447 296.6396 -809.7059 114.1164 78.1958 117.5959 -1897.2617 -1438.9810 -272.2284 102.5007 63.4350 -220.6766 0 -591.2619427 4.057E-9 3.811E-6 0.1918585 0.203085 -591.0588577 -591.0579136 -591.1067789 13.4129521,-10.5356287,-2.8773234,-20.6710777,5.9835961,0.7602281 C01 [X(C8H12B1F2N1)] 0.4524071 -2.2242443 0.5830256 -0.1293453 0.0190757 -0.001034 0.0178067 0.0810668 0.0102662 -0.0008992 0.0125502 0.1256698 0.1071613 -0.0308141 0.0027181 -0.013151 -0.116235 0.0051058 0.0063859 -0.0109086 -0.1154223 0.0257284 -0.0591784 -0.00021 -0.1372947 0.1518696 -0.0634215 0.0291661 -0.0602022 -0.0931665 0.0335982 0.0757492 -0.0152759 0.0731819 0.0698357 -0.0482244 -0.0192073 -0.0464257 -0.1086079 -0.4923748 -0.1156501 -0.0080183 -0.0115015 -0.4390146 0.0760691 -0.0851544 0.0642244 -0.2256751 0.0470353 0.0580031 -0.0118964 0.0886174 -0.0603685 0.0399239 -0.0112573 0.0436906 0.1069056 -0.2033414 -0.0760265 0.0215059 -0.069465 -0.0153057 -0.0421298 0.0732731 -0.0344355 -0.1160698 -0.0013083 -0.0855204 0.0230056 -0.0992127 -0.03558 0.0395909 0.0169036 0.0467186 0.115094 0.8240009 0.0044416 -0.0107416 -0.0976638 0.1635572 0.0082243 -0.0333432 0.0032348 -0.0824622 0.0610877 0.0942919 -0.0189358 0.0768379 -0.0411175 0.0428781 -0.0128115 0.0395384 0.1178422 1.6224305 -0.1227763 -0.1384355 0.0689535 1.841675 -0.1408085 -0.041472 -0.3866543 1.53241 0.2291503 -0.0454238 -0.1706536 0.0358824 0.2532267 0.1422075 -0.3041029 0.2663897 0.359237 0.0837666 0.0383634 -0.0502606 0.0139543 0.0690831 0.0709562 -0.0320067 0.0196922 0.0084174 -0.1733138 0.0126465 0.0353716 -0.0121906 0.0772108 -0.0366476 -0.0155844 -0.0355535 0.0528321 0.042465 -0.0672986 0.0089821 0.0054498 -0.1588013 -0.1044669 0.0560114 -0.0335727 0.0160981 0.183877 -0.0932806 0.1426485 -0.1279431 0.3742919 -0.1192638 0.2380838 -0.2398889 0.309067 0.0626184 -0.0489749 -0.0269158 0.0180602 -0.1834407 0.0321861 -0.0500295 -0.0347098 0.0179157 -0.1562083 0.0152501 -0.0470677 -0.0354729 0.0580909 0.0189862 0.0006567 0.0315823 0.076862 0.0718418 0.0245583 0.0895382 0.038962 0.0437778 -0.0409498 0.0396233 -0.0013561 -0.0596626 -0.6794675 0.007231 0.0435243 0.138243 -1.2938251 -0.0139996 0.098193 -0.1219276 -0.4254154 -0.3965455 0.2386039 -0.13855 0.1127429 -0.706913 0.0627244 -0.1645597 0.1171203 -0.1889244 -0.041311 0.0026228 -0.072179 -0.087315 1.7416424 0.0374786 -0.0808569 0.191496 -0.0211275 -0.5943138 -0.1210873 0.2997968 -0.1051124 -0.5741061 0.1124144 0.2260512 0.2903062 -0.9669724 -0.5272317 0.2751933 0.0430828 0.1076307 -1.3006205 -0.0890997 0.0669368 -0.1209089 -0.4348446 140.6796001|-2.9531778|131.9909352|-0.9391589|-12.8005605|69.4309911 0.000000144 0.000001586 -0.000001155 0.000000665 0.000001599 -0.000001390 -0.000000083 0.000001208 -0.000002273 -0.000000475 0.000000481 -0.000001697 -0.000002394 0.000000793 -0.000000784 0.000000690 0.000001411 0.000001280 -0.000001667 -0.000000185 -0.000001930 -0.000000991 0.000000628 -0.000003012 -0.000002107 -0.000001509 0.000001750 -0.000001047 -0.000000345 -0.000002647 0.000005593 0.000004039 0.000001802 -0.000000110 -0.000000110 0.000000156 0.000001058 0.000002826 0.000000412 0.000000312 -0.000000518 0.000000259 -0.000000629 0.000000964 -0.000001815 0.000001978 0.000003632 0.000000877 -0.000000688 -0.000001393 -0.000002374 -0.000000697 -0.000001890 0.000001295 -0.000001470 -0.000003378 -0.000000502 -0.000004681 0.000000448 0.000003162 -0.000009250 -0.000006748 0.000013062 0.000017390 -0.000002226 -0.000002298 -0.000004652 0.000001352 -0.000010604 0.000003108 -0.000002664 0.000008425 158.90010639999997 AuxInfo=1/0/N:12,16,2,4,3,7,5,9,11,23,24,20;21;22/E:(1,2)(10,11);;/CRV:3.3,4.3,5.3,6.3,7.3,8.3;;/rA:24nHC3C3C3C3HC3HC3HBCHHHCHHHNH0H0FF/rB:s1;s2;s2;s3;s3;s4;s4;s5s7;s7;s5;;s12;s12;s12;;s16;s16;s16;s9s12s16;;;s11;s11;/rC:.3081,.4809,.1419;1.3861,.354,.1491;2.2184,1.437,-.1177;1.9373,-.8931,.4356;3.6094,1.2987,-.1206;1.7835,2.4119,-.3191;3.3189,-1.0577,.4538;1.292,-1.7397,.6477;4.1355,.0335,.1685;3.7483,-2.028,.683;4.5809,2.5265,-.402;6.1519,-.4173,-1.1198;5.7686,.2657,-1.8775;7.2394,-.3185,-1.0714;5.8936,-1.449,-1.3879;6.1471,-.844,1.2817;5.9977,-1.9209,1.1366;7.2209,-.6489,1.335;5.6833,-.5409,2.2218;5.5818,-.0536,.1863;5.77,2.2615,.5108;5.8144,1.379,.3954;5.1926,2.5787,-1.63;4.1972,3.7411,.0803; Gaussian 16 GINC-IRENE3800 ZOUBRITL Me_F-TS1 ES64L-G16RevC.01 14-Apr-2021 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 RwB97XD GenECP FTS # WB97XD/GenECP SCRF=(Solvent=toluene,PCM) OptCyc=300 SCFCyc=300 NoSymm Freq Opt=(MaxStep=6,ReadFC,TS,NoEigenTest) Pop=(Regular,Orbitals=20,CHelpG) Guess=TCheck Geom=Check 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 158.90010639999997 AuxInfo=1/0/N:12,16,2,4,3,7,5,9,11,23,24,20;21;22/E:(1,2)(10,11);;/CRV:3.3,4.3,5.3,6.3,7.3,8.3;;/rA:24nHC3C3C3C3HC3HC3HBCHHHCHHHNH0H0FF/rB:s1;s2;s2;s3;s3;s4;s4;s5s7;s7;s5;;s12;s12;s12;;s16;s16;s16;s9s12s16;;;s11;s11;/rC:.3081,.4809,.1419;1.3861,.354,.1491;2.2184,1.437,-.1177;1.9373,-.8931,.4356;3.6094,1.2987,-.1206;1.7835,2.4119,-.3191;3.3189,-1.0577,.4538;1.292,-1.7397,.6477;4.1355,.0335,.1685;3.7483,-2.028,.683;4.5809,2.5265,-.402;6.1519,-.4173,-1.1198;5.7686,.2657,-1.8775;7.2394,-.3185,-1.0714;5.8936,-1.449,-1.3879;6.1471,-.844,1.2817;5.9977,-1.9209,1.1366;7.2209,-.6489,1.335;5.6833,-.5409,2.2218;5.5818,-.0536,.1863;5.77,2.2615,.5108;5.8144,1.379,.3954;5.1926,2.5787,-1.63;4.1972,3.7411,.0803; NProcShared=64 Mem=60GB OldChk=Me_F-TS1_DZ.chk Chk=Me_F-TS1.chk # WB97XD/GenECP SCRF=(Solvent=toluene,PCM) OptCyc=300 SCFCyc=300 NoSym 1/5=1,6=300,8=6,10=3,11=1,18=20,26=3,29=2,38=1/1,3 2/9=110,12=2,15=1,40=1/2 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,70=2201,71=1,72=13,74=-58,116=-2/1,2,3 4/5=101/1 5/5=2,7=300,38=6,53=13/2 6/15=8,20=3,28=1,96=20/1,2 7/30=1/1,2,3,16 1/5=1,6=300,8=6,11=1,18=20,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=7,6=1,11=2,14=-2,16=1,17=8,25=1,30=1,70=2205,71=1,72=13,74=-58,82=7/1,2,3 4/5=5,16=3,69=1/1 5/5=2,7=300,38=5,53=13/2 7/30=1/1,2,3,16 1/5=1,6=300,8=6,11=1,18=20,26=3/3(-5) 2/9=110,15=1/2 6/15=8,19=2,20=3,28=1,96=20/1,2 99/9=1/99 Me_F-TS1 Redundant internal coordinates found in file. (old form). Structure from the checkpoint file: "Me_F-TS1.chk" Charge = 0 Multiplicity = 1 Berny optimization. Berny optimization. saddle point Step number 5 out of a maximum of 144 All quantities printed in internal units (Hartrees-Bohrs-Radians) -0.02147 0.00252 0.00284 0.00462 0.00679 0.01348 0.01530 0.01753 0.01776 0.01857 0.02058 0.02282 0.02353 0.02580 0.02817 0.02908 0.02955 0.03816 0.04594 0.04872 0.04919 0.04953 0.04993 0.06208 0.07077 0.08077 0.10655 0.11251 0.12061 0.12205 0.12481 0.12739 0.13177 0.13800 0.14140 0.15864 0.16804 0.17605 0.17921 0.18148 0.19114 0.19289 0.19747 0.20238 0.22642 0.27037 0.32581 0.33301 0.33635 0.33956 0.34548 0.34818 0.35230 0.35839 0.36321 0.36360 0.36553 0.36749 0.36935 0.37414 0.39713 0.41407 0.43212 0.47648 0.48967 0.52245 1.367387384e-10 -1.33490616e-08 Linear search 1 2 0.00021899 0.00000003 0.00000002 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 2.04879 2.62508 2.62878 2.63984 2.05060 2.62463 2.04883 2.64370 2.99793 2.62881 2.04868 2.73114 2.89497 3.47318 2.60209 2.58701 2.05836 2.06365 2.07271 2.77502 2.07181 2.06321 2.06052 2.76402 2.87261 1.64712 2.09575 2.09427 2.09314 2.11467 2.08622 2.08226 2.09559 2.09787 2.08973 2.05658 2.12261 2.10353 2.08441 2.09336 2.10541 2.12184 2.02749 2.13369 1.84359 1.44427 2.05756 2.04974 1.75081 1.70780 1.69812 2.15859 1.97801 1.90003 1.90764 1.90932 1.90576 1.90240 1.93829 1.89038 1.90460 1.96104 1.90110 1.89599 1.90984 1.97203 2.01029 1.66385 1.95988 1.89528 1.93877 2.01355 2.96303 3.14239 -3.13605 0.01448 0.01418 -3.11847 -3.13679 0.00392 -0.00383 3.13687 -0.00976 -3.11863 3.12292 0.01404 -0.01046 3.13648 3.13201 -0.00423 -0.00488 -3.12716 3.10436 -0.01791 2.54719 2.83618 -1.79863 0.66638 -0.56081 -0.27183 1.37655 -2.44162 0.01497 3.13606 -3.13202 -0.01092 -1.61347 2.38501 0.35516 1.54758 -0.73712 -2.76697 0.50973 -1.53805 2.57376 0.89918 -3.07434 -0.92346 2.97491 -0.99861 1.15227 -1.20797 1.10169 -3.03062 1.27025 -1.02027 3.13663 -2.92178 1.07088 -1.05540 -0.84825 -3.13877 1.01814 -0.55470 1.47753 -2.64214 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00001 0.00011 0.00010 -0.00004 -0.00003 -0.00000 0.00000 0.00000 -0.00002 0.00000 0.00000 -0.00000 0.00001 0.00010 -0.00007 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00005 0.00006 0.00001 0.00000 -0.00001 -0.00000 0.00004 -0.00003 0.00004 -0.00001 0.00002 -0.00000 -0.00006 -0.00003 0.00009 -0.00012 0.00001 -0.00000 -0.00001 0.00003 -0.00001 -0.00001 0.00001 0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00003 0.00002 -0.00002 0.00011 -0.00008 0.00005 0.00007 -0.00003 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00000 0.00001 0.00004 0.00001 0.00004 0.00023 0.00009 0.00018 0.00023 0.00022 0.00009 0.00018 0.00023 -0.00001 -0.00004 -0.00001 -0.00004 -0.00031 -0.00026 -0.00017 -0.00028 -0.00023 -0.00014 -0.00022 -0.00023 -0.00025 0.00031 0.00026 0.00023 0.00032 0.00027 0.00024 0.00030 0.00025 0.00022 0.00015 0.00019 0.00011 0.00016 0.00019 0.00012 0.00016 0.00020 0.00012 0.00025 0.00029 0.00030 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00001 0.00011 0.00010 -0.00004 -0.00003 -0.00000 0.00000 0.00000 -0.00002 0.00000 0.00000 -0.00000 0.00001 0.00010 -0.00007 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00005 0.00006 0.00001 0.00000 -0.00001 -0.00000 0.00004 -0.00003 0.00004 -0.00001 0.00002 -0.00000 -0.00006 -0.00003 0.00009 -0.00012 0.00001 -0.00000 -0.00001 0.00003 -0.00001 -0.00001 0.00001 0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00003 0.00002 -0.00002 0.00011 -0.00008 0.00005 0.00007 -0.00003 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00000 0.00001 0.00004 0.00001 0.00004 0.00023 0.00009 0.00018 0.00023 0.00022 0.00009 0.00018 0.00023 -0.00001 -0.00004 -0.00001 -0.00004 -0.00031 -0.00026 -0.00017 -0.00028 -0.00023 -0.00014 -0.00022 -0.00023 -0.00025 0.00031 0.00026 0.00023 0.00032 0.00027 0.00024 0.00030 0.00025 0.00022 0.00015 0.00019 0.00011 0.00016 0.00019 0.00012 0.00016 0.00020 0.00012 0.00025 0.00029 0.00030 2.04879 2.62507 2.62879 2.63985 2.05061 2.62462 2.04883 2.64370 2.99794 2.62881 2.04868 2.73115 2.89508 3.47328 2.60205 2.58697 2.05835 2.06365 2.07271 2.77501 2.07182 2.06321 2.06052 2.76403 2.87271 1.64705 2.09575 2.09427 2.09314 2.11468 2.08621 2.08226 2.09558 2.09787 2.08973 2.05657 2.12256 2.10359 2.08442 2.09336 2.10539 2.12183 2.02753 2.13365 1.84363 1.44427 2.05757 2.04973 1.75075 1.70777 1.69821 2.15848 1.97802 1.90003 1.90763 1.90935 1.90575 1.90239 1.93830 1.89038 1.90460 1.96104 1.90110 1.89600 1.90984 1.97203 2.01026 1.66386 1.95986 1.89539 1.93869 2.01360 2.96310 3.14237 -3.13606 0.01447 0.01417 -3.11848 -3.13679 0.00392 -0.00383 3.13687 -0.00976 -3.11864 3.12291 0.01404 -0.01046 3.13648 3.13202 -0.00423 -0.00487 -3.12712 3.10438 -0.01787 2.54741 2.83627 -1.79845 0.66661 -0.56059 -0.27174 1.37673 -2.44139 0.01496 3.13602 -3.13202 -0.01096 -1.61378 2.38475 0.35499 1.54730 -0.73736 -2.76712 0.50951 -1.53828 2.57351 0.89949 -3.07408 -0.92324 2.97523 -0.99834 1.15250 -1.20767 1.10194 -3.03040 1.27040 -1.02009 3.13674 -2.92163 1.07107 -1.05528 -0.84809 -3.13858 1.01825 -0.55446 1.47782 -2.64185 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000009 0.000002 0.001129 0.000219 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -6.606158e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 1 2 2 3 3 4 4 5 5 7 7 9 11 11 11 11 12 12 12 12 16 16 16 16 20 21 2 3 4 5 6 7 8 9 11 9 10 20 21 22 23 24 13 14 15 20 17 18 19 20 22 22 1.0842 1.3891 1.3911 1.3969 1.0851 1.3889 1.0842 1.399 1.5864 1.3911 1.0841 1.4453 1.532 1.8379 1.377 1.369 1.0892 1.092 1.0968 1.4685 1.0964 1.0918 1.0904 1.4627 1.5201 0.8716 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 1 1 3 2 2 5 2 2 7 3 3 9 4 4 9 5 5 7 5 5 5 5 21 21 22 22 23 13 13 13 14 14 15 17 17 17 18 18 19 9 9 9 12 12 16 11 2 2 2 3 3 3 4 4 4 5 5 5 7 7 7 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 16 16 16 16 16 16 20 20 20 20 20 20 22 3 4 4 5 6 6 7 8 8 9 11 11 9 10 10 7 20 20 21 22 23 24 23 24 23 24 24 14 15 20 15 20 20 18 19 20 19 20 20 12 16 22 16 22 22 20 120.0775 119.9926 119.9281 121.1619 119.5314 119.3048 120.0683 120.199 119.7327 117.8335 121.6165 120.5232 119.4278 119.9406 120.6309 121.5723 116.1669 122.2512 105.6298 82.7506 117.8893 117.4412 100.3141 97.8497 97.2951 123.6783 113.3316 108.8638 109.2998 109.3959 109.192 108.9994 111.0558 108.3106 109.1257 112.3594 108.9248 108.6322 109.4257 112.9889 115.1809 95.3315 112.2926 108.5915 111.0831 115.368 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A47 20 22 21 1 -1 169.769 -DE/DX|=|0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 1 1 4 4 1 1 3 3 2 2 6 6 2 2 8 8 3 3 11 11 3 3 3 3 9 9 9 9 4 4 10 10 5 5 5 7 7 7 5 23 24 13 13 13 14 14 14 15 15 15 17 17 17 18 18 18 19 19 19 9 12 2 2 2 2 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 7 7 7 7 9 9 9 9 9 9 11 11 11 12 12 12 12 12 12 12 12 12 16 16 16 16 16 16 16 16 16 20 20 3 3 3 3 4 4 4 4 5 5 5 5 7 7 7 7 9 9 9 9 11 11 11 11 11 11 11 11 9 9 9 9 20 20 20 20 20 20 22 22 22 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 22 22 5 6 5 6 7 8 7 8 9 11 9 11 9 10 9 10 7 20 7 20 21 22 23 24 21 22 23 24 5 20 5 20 12 16 22 12 16 22 20 20 20 9 16 22 9 16 22 9 16 22 9 12 22 9 12 22 9 12 22 11 11 -179.6827 0.8295 0.8125 -178.6754 -179.7249 0.2244 -0.2197 179.7296 -0.5591 -178.6843 178.9299 0.8047 -0.5996 179.7071 179.4509 -0.2424 -0.2797 -179.173 177.8669 -1.0264 145.9432 162.5009 -103.054 38.1808 -32.1321 -15.5744 78.8706 -139.8945 0.8574 179.683 -179.4514 -0.6259 -92.4448 136.651 20.3492 88.67 -42.2341 -158.5359 29.2053 -88.1236 147.4657 51.5193 -176.1467 -52.9106 170.4499 -57.2162 66.0199 -69.2118 63.1222 -173.6417 72.78 -58.4574 179.7158 -167.4059 61.3567 -60.4701 -48.601 -179.8384 58.3348 -31.7822 84.6562 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 (5D, 7F) 1 1 No pseudopotential on this center. 2 6 No pseudopotential on this center. 3 6 No pseudopotential on this center. 4 6 No pseudopotential on this center. 5 6 No pseudopotential on this center. 6 1 No pseudopotential on this center. 7 6 No pseudopotential on this center. 8 1 No pseudopotential on this center. 9 6 No pseudopotential on this center. 10 1 No pseudopotential on this center. 11 5 No pseudopotential on this center. 12 6 No pseudopotential on this center. 13 1 No pseudopotential on this center. 14 1 No pseudopotential on this center. 15 1 No pseudopotential on this center. 16 6 No pseudopotential on this center. 17 1 No pseudopotential on this center. 18 1 No pseudopotential on this center. 19 1 No pseudopotential on this center. 20 7 No pseudopotential on this center. 21 1 No pseudopotential on this center. 22 1 No pseudopotential on this center. 23 9 No pseudopotential on this center. 24 9 No pseudopotential on this center. 24 24 24 1.00e+00 60 F 0.000000 1.085498 0.000000 2.151865 1.391631 0.000000 2.151493 1.393322 2.411341 0.000000 3.411196 2.430672 1.397894 2.812338 0.000000 2.473454 2.147559 1.086318 3.393591 2.147641 0.000000 3.395552 2.412773 2.785906 1.391430 2.442741 3.872058 0.000000 2.481013 2.154343 3.396376 1.085416 3.897751 4.290942 2.147304 0.000000 3.853620 2.768123 2.393159 2.400441 1.400387 3.380288 1.392519 3.385206 0.000000 4.292139 3.396870 3.871381 2.151397 3.425156 4.957489 1.085490 2.473361 2.159718 0.000000 4.768351 3.902582 2.617167 4.402699 1.590746 2.800974 3.895048 5.488084 2.595874 4.755335 0.000000 6.045585 4.991794 4.462640 4.517566 3.226045 5.265731 3.303403 5.337745 2.434875 3.409103 3.413013 0.000000 5.825916 4.829184 4.131905 4.622943 2.969149 4.786992 3.631417 5.517037 2.628038 3.987289 2.949337 1.089672 0.000000 7.081966 6.016882 5.403881 5.541919 4.086110 6.147145 4.271170 6.351861 3.360808 4.264727 3.950868 1.093015 1.776033 0.000000 6.104353 5.092243 4.842491 4.391598 3.791275 5.739485 3.189690 5.040095 2.776876 3.037469 4.301127 1.096908 1.787621 1.785899 0.000000 6.094970 5.038345 4.753550 4.294204 3.605210 5.674861 2.954625 4.977535 2.460828 2.741249 4.080164 2.439182 3.369755 2.646985 2.749079 0.000000 6.255421 5.236150 5.208843 4.246685 4.201216 6.217009 2.896109 4.734504 2.867855 2.297229 4.914584 2.715894 3.730707 2.997415 2.570365 1.096793 0.000000 7.105404 6.037933 5.611275 5.365096 4.353686 6.455154 4.021090 6.067423 3.368342 3.792872 4.479858 2.687459 3.642182 2.429037 3.133094 1.092684 1.775768 0.000000 5.853510 4.854178 4.625098 4.164969 3.629345 5.512135 2.997251 4.816491 2.634723 2.885069 4.184285 3.376566 4.178729 3.649089 3.728132 1.091156 1.783444 1.778226 0.000000 5.300930 4.215614 3.691463 3.748218 2.411055 4.556393 2.490115 4.632306 1.448990 2.739852 2.829184 1.470786 2.096638 2.097512 2.126672 1.464358 2.136093 2.088177 2.095492 0.000000 5.756668 4.794582 3.699895 4.964561 2.448252 4.074724 4.126566 6.006754 2.784362 4.745171 1.522252 3.159185 3.112393 3.364357 4.169958 3.221925 4.235054 3.354800 3.284610 2.345266 0.000000 5.584804 4.552013 3.632908 4.493956 2.265976 4.221968 3.488338 5.499257 2.163414 3.994862 1.863821 2.374119 2.531317 2.657790 3.344323 2.416215 3.387052 2.640723 2.653101 1.466320 0.891108 0.000000 5.603403 4.754303 3.526506 5.188113 2.534366 3.656188 4.590861 6.249038 3.290820 5.353205 1.372868 3.186866 2.396432 3.590982 4.095416 4.593889 5.343027 4.829295 4.980832 3.221632 2.239830 2.434745 0.000000 5.075228 4.402231 3.043731 5.168149 2.520194 2.784292 4.892842 6.229119 3.709182 5.817837 1.362084 4.749026 4.287269 5.202111 5.654311 5.125321 6.034543 5.476218 5.013030 4.040792 2.201884 2.879943 2.295006 0.000000 1.0229350 0.9036856 0.5626264 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 158.90010639999997 AuxInfo=1/0/N:12,16,2,4,3,7,5,9,11,23,24,20;21;22/E:(1,2)(10,11);;/CRV:3.3,4.3,5.3,6.3,7.3,8.3;;/rA:24nHC3C3C3C3HC3HC3HBCHHHCHHHNH0H0FF/rB:s1;s2;s2;s3;s3;s4;s4;s5s7;s7;s5;;s12;s12;s12;;s16;s16;s16;s9s12s16;;;s11;s11;/rC:.3138,.4747,.1246;1.3907,.3502,.1372;2.2199,1.4345,-.1204;1.9436,-.8942,.4216;3.6102,1.2983,-.1164;1.7821,2.4071,-.3203;3.3231,-1.0541,.4438;1.3005,-1.7425,.6276;4.142,.0358,.1673;3.7518,-2.0237,.6704;4.5678,2.5356,-.3788;6.1441,-.4538,-1.1191;5.746,.1968,-1.8968;7.2299,-.3418,-1.0868;5.896,-1.4956,-1.3558;6.1464,-.8363,1.2848;5.9814,-1.9135,1.1642;7.2225,-.6566,1.3252;5.6977,-.5091,2.2232;5.584,-.0601,.18;5.8047,2.292,.4916;5.8228,1.4278,.3799;5.1563,2.643,-1.619;4.1997,3.7422,.153; 0.000000 1.084173 0.000000 2.148185 1.389131 0.000000 2.149050 1.391093 2.406872 0.000000 3.406306 2.426814 1.396943 2.806094 0.000000 2.467394 2.143172 1.085133 3.387461 2.147757 0.000000 3.390438 2.408366 2.780031 1.388892 2.435209 3.865009 0.000000 2.478415 2.151254 3.390855 1.084194 3.890286 4.283576 2.144329 0.000000 3.853572 2.769401 2.394486 2.400579 1.398988 3.380790 1.391106 3.383521 0.000000 4.284865 3.390384 3.864128 2.146470 3.416891 4.949063 1.084113 2.467691 2.155751 0.000000 4.753706 3.890543 2.606107 4.392129 1.586437 2.789288 3.887450 5.476287 2.593910 4.749145 0.000000 6.033399 4.981941 4.467940 4.495819 3.239731 5.277296 3.280480 5.307729 2.429602 3.374984 3.459665 0.000000 5.802774 4.809272 4.137727 4.585136 2.990738 4.804509 3.593551 5.467637 2.618961 3.936740 3.026984 1.089236 0.000000 7.068760 6.006131 5.402726 5.525020 4.090713 6.150018 4.256021 6.329178 3.354173 4.244307 3.983428 1.092035 1.774301 0.000000 6.102015 5.092495 4.860579 4.375197 3.816631 5.764301 3.170714 5.011267 2.782360 2.997018 4.355381 1.096831 1.783031 1.784119 0.000000 6.089695 5.034040 4.748522 4.290909 3.598953 5.669474 2.953957 4.973434 2.454993 2.742538 4.077923 2.434201 3.368998 2.653914 2.733218 0.000000 6.237468 5.220481 5.196894 4.230141 4.192612 6.205211 2.885147 4.714590 2.859511 2.286281 4.916625 2.714897 3.725303 3.015939 2.555859 1.096356 0.000000 7.102970 6.036161 5.611448 5.360973 4.353014 6.456903 4.017546 6.060985 3.362975 3.787336 4.487870 2.679316 3.645452 2.432457 3.106717 1.091802 1.773739 0.000000 5.861674 4.862155 4.622249 4.181815 3.619180 5.505034 3.017016 4.837597 2.635136 2.914112 4.161396 3.372460 4.180281 3.651269 3.717809 1.090381 1.781652 1.775717 0.000000 5.297633 4.213594 3.693433 3.742592 2.414375 4.559824 2.483887 4.623740 1.445259 2.730115 2.843009 1.468478 2.098868 2.095977 2.125282 1.462657 2.135749 2.086099 2.095027 0.000000 5.795536 4.835299 3.736413 5.006533 2.484600 4.105357 4.166260 6.048410 2.821379 4.782509 1.531953 3.201410 3.177720 3.385206 4.215154 3.245388 4.262595 3.376264 3.294861 2.382917 0.000000 5.596732 4.567708 3.637487 4.521263 2.271319 4.216248 3.523176 5.528361 2.192673 4.035664 1.837926 2.427050 2.589323 2.694926 3.400643 2.459625 3.435715 2.682755 2.676718 1.520121 0.871621 0.000000 5.584996 4.745651 3.511247 5.195947 2.540955 3.623226 4.613569 6.256743 3.319206 5.384508 1.376966 3.288744 2.531624 3.673192 4.212441 4.638793 5.402639 4.881062 4.999151 3.275109 2.235684 2.432431 0.000000 5.077155 4.404095 3.052773 5.163135 2.528361 2.801974 4.884413 6.221842 3.706815 5.806381 1.368985 4.796375 4.377519 5.234363 5.708624 5.102299 6.015255 5.464487 4.960157 4.046547 2.189487 2.835946 2.294190 0.000000 1.0207837 0.8973578 0.5624416 -10.32146 -10.30116 -10.29973 -10.29572 -10.29462 -10.27944 -6.93137 -1.29689 -1.26779 -1.07626 -0.96264 -0.86255 -0.85745 -0.83303 -0.76722 -0.72560 -0.68717 -0.65337 -0.62888 -0.62107 -0.58599 -0.57971 -0.57182 -0.55782 -0.55182 -0.53817 -0.52807 -0.50438 -0.50036 -0.49235 -0.48916 -0.48231 -0.47032 -0.46812 -0.45986 -0.43747 -0.41538 -0.34813 -0.33838 -0.32630 0.03635 0.04016 0.04468 0.04851 0.05629 0.05826 0.06884 0.07204 0.07838 0.08673 0.09335 0.09513 0.09610 0.10938 0.11542 0.12018 0.12994 0.13234 0.13506 0.14774 0.15185 0.15603 0.16117 0.16889 0.17146 0.17771 0.17901 0.18375 0.18641 0.18924 0.19091 0.19648 0.20127 0.20387 0.20749 0.20885 0.21323 0.22132 0.22874 0.23052 0.23548 0.24028 0.24744 0.24941 0.25810 0.25937 0.26580 0.27560 0.27716 0.28442 0.28864 0.29317 0.30108 0.30453 0.31489 0.31903 0.32618 0.33376 0.33981 0.34292 0.35510 0.35945 0.36261 0.37085 0.38043 0.38608 0.39587 0.39671 0.39847 0.41130 0.42028 0.42872 0.44481 0.45542 0.45701 0.46567 0.46990 0.47456 0.49019 0.50177 0.51612 0.53871 0.54311 0.55927 0.57224 0.57893 0.58810 0.59407 0.61111 0.62054 0.62933 0.63615 0.64300 0.64944 0.65871 0.66226 0.66967 0.67567 0.68918 0.70536 0.70684 0.71783 0.72513 0.73211 0.74345 0.74839 0.75310 0.76560 0.77351 0.78582 0.78930 0.80732 0.81949 0.83770 0.84358 0.85232 0.86800 0.88098 0.89238 0.91213 0.92970 0.93986 0.94885 0.95592 0.97617 0.97875 0.99091 0.99673 1.01940 1.03703 1.05510 1.06875 1.08869 1.10433 1.12537 1.13963 1.14260 1.17059 1.18986 1.20332 1.22476 1.27253 1.30024 1.32919 1.36896 1.38186 1.39563 1.41538 1.42873 1.45067 1.47644 1.49403 1.51641 1.53218 1.53642 1.54263 1.55585 1.57439 1.58444 1.59255 1.60190 1.61394 1.62623 1.63022 1.64774 1.64870 1.65531 1.68024 1.68352 1.70403 1.71804 1.72612 1.73755 1.75678 1.76467 1.78355 1.79003 1.79641 1.82982 1.83193 1.84428 1.87122 1.91216 1.92833 1.92964 1.95612 1.98486 2.00622 2.01309 2.02049 2.03329 2.05689 2.06028 2.08084 2.08723 2.10051 2.11672 2.14953 2.16775 2.17345 2.17940 2.19572 2.22296 2.26787 2.27458 2.29274 2.33841 2.35738 2.38208 2.40210 2.46538 2.50293 2.52048 2.53411 2.54325 2.54826 2.55983 2.57715 2.61031 2.61738 2.62602 2.65492 2.67881 2.69458 2.70434 2.71852 2.74997 2.75543 2.76479 2.79267 2.80393 2.81864 2.83002 2.85142 2.85598 2.87073 2.88143 2.89721 2.92028 2.93731 2.95795 2.97770 3.00287 3.05330 3.07488 3.11417 3.12909 3.16201 3.20004 3.23842 3.30271 3.31499 3.45997 3.49533 3.52153 3.56016 3.63970 3.66222 3.67910 3.75749 3.85295 3.87547 3.88057 3.90028 3.90949 3.91659 3.93554 3.95093 4.01784 4.03000 4.10158 4.14033 4.15396 4.19414 4.22333 4.27457 4.35110 4.56877 4.58048 4.73774 4.91330 4.95034 5.02064 6.44646 6.50646 6.52061 6.54688 6.61432 6.75225 14.76271 23.72985 24.06847 24.07319 24.09386 24.09873 24.20486 24.22500 24.31882 35.68473 66.98017 67.02250 41 42 43 44 45 46 47 48 49 50 O|O|O|O|O|V|V|V|V|V -0.43747 -0.41538 -0.34813 -0.33838 -0.32630 0.03635 0.04016 0.04468 0.04851 0.05629 -0.08892 -0.03089 0.01012 0.00194 0.00711 -0.00058 -0.00059 -0.00049 -0.00041 -0.00089 -0.13551 -0.04863 0.01730 0.00322 0.01325 0.00571 0.00435 -0.00187 0.03927 -0.01447 -0.04870 -0.01861 0.01075 0.00189 0.00996 -0.11263 -0.07756 0.00596 -0.59442 0.29711 0.00107 0.01897 0.01263 0.00338 0.01819 -0.22409 -0.34600 0.03168 -3.35046 1.91681 -0.00587 -0.00143 0.00038 0.00012 -0.00004 0.00359 0.00179 0.00031 0.01066 -0.00260 -0.00250 0.00486 0.00064 0.00081 -0.00299 -0.00068 0.00090 0.00431 -0.00053 0.00135 0.00111 -0.00010 0.00808 0.00470 -0.00766 -0.00055 0.00365 0.01780 -0.00041 0.00003 -0.00168 -0.00663 0.00211 0.00057 0.00183 -0.00372 -0.00209 -0.00021 -0.00865 0.00292 -0.00268 -0.01056 0.00338 0.00093 0.00294 -0.00596 -0.00337 -0.00036 -0.01392 0.00462 0.08583 0.04850 -0.01145 -0.00164 -0.01206 -0.00952 -0.00258 0.00366 -0.02819 0.00894 -0.06475 0.07238 0.00474 0.00963 -0.03861 -0.00268 0.00909 0.03227 0.00462 0.00159 0.01841 -0.00424 0.09898 0.05610 -0.09003 -0.00487 0.03017 0.13812 -0.00310 0.00895 0.01106 0.03190 -0.01044 -0.00293 -0.00930 0.01808 0.00995 0.00095 0.03920 -0.01047 0.12249 0.06834 -0.01589 -0.00213 -0.01730 -0.01691 -0.00296 0.00646 -0.03608 0.00919 -0.09205 0.10064 0.01205 0.01632 -0.05807 -0.00244 0.01444 0.05018 0.00646 0.00452 0.02721 -0.00315 0.15776 0.08995 -0.14524 -0.00766 0.04628 0.21424 -0.00512 0.01163 -0.01368 0.02267 -0.00502 0.00115 0.00011 0.09901 0.04221 0.02366 0.25716 -0.09475 0.09941 0.05273 -0.01069 -0.00052 -0.00839 0.00817 0.00074 0.01662 -0.05284 0.06721 -0.05743 0.07225 0.00928 0.01620 -0.05338 0.01128 0.02927 0.09600 0.01816 0.00778 0.01689 0.00033 0.14008 0.07984 -0.13483 -0.02050 0.08347 0.36805 -0.00983 0.02292 -0.03865 0.21899 0.06196 0.09845 0.12133 7.92775 2.08722 -0.20732 8.63866 -1.80272 0.01138 0.06546 0.03467 0.02846 0.07012 0.91309 0.05250 0.01382 -1.60829 2.07390 0.01319 -0.01946 -0.01110 0.02032 0.05052 -0.05275 0.43160 0.19679 2.35473 2.19227 -0.00510 0.00479 0.01108 0.00561 -0.03232 -0.06882 0.01151 0.45507 -0.60314 -0.54083 0.00132 0.00117 -0.00406 0.00874 0.00123 0.00011 -0.01339 0.00345 0.00156 0.00081 0.00201 -0.00004 0.00755 0.00083 -0.00513 -0.00090 0.00146 -0.01203 -0.00100 0.00049 -0.00561 -0.00088 0.00857 -0.02029 -0.00322 -0.00535 0.03018 -0.00685 -0.00869 -0.00078 -0.02552 -0.00460 0.00100 0.00559 0.00252 -0.00254 -0.00897 0.00127 -0.00775 0.00231 -0.00393 0.00658 -0.00023 -0.00068 -0.00341 0.00310 0.00197 -0.00309 0.00234 0.00197 0.00254 0.00475 -0.00161 -0.00024 -0.00114 -0.00515 0.00032 0.00201 -0.00399 0.00288 0.00414 0.00771 -0.00257 -0.00036 -0.00183 -0.00830 0.00048 0.00322 -0.00659 0.00450 -0.10042 -0.05879 0.02017 0.00169 0.01085 0.00147 -0.00080 -0.00513 -0.00918 0.00402 0.06362 -0.05934 0.03588 -0.01667 -0.00239 0.00036 0.02419 -0.02461 0.00743 -0.01305 -0.00748 0.02560 0.09673 -0.08442 -0.06911 -0.01303 0.10665 -0.09864 -0.02450 -0.00043 -0.01588 -0.02141 0.00736 0.00053 0.00481 0.02307 0.00069 -0.00913 0.02468 -0.00783 -0.14463 -0.08597 0.02908 0.00181 0.01529 0.00294 0.00048 -0.00724 -0.00983 0.00359 0.09165 -0.08351 0.05461 -0.02768 -0.00647 -0.00053 0.03640 -0.03765 0.01036 -0.01494 -0.01019 0.03821 0.15592 -0.13540 -0.11019 -0.02069 0.16550 -0.15308 -0.03755 0.00075 0.01965 -0.01850 -0.00260 -0.00391 -0.00753 0.14096 -0.04542 -0.03688 0.01664 -0.19263 -0.09355 -0.03586 0.01095 0.00061 0.00045 0.06294 -0.01751 -0.00307 -0.01723 -0.03039 0.08166 -0.06116 0.05018 -0.02024 0.00042 0.05455 0.08043 -0.04169 0.05609 -0.03415 -0.01117 0.02584 0.13536 -0.12168 -0.09956 -0.04407 0.27810 -0.26695 -0.07327 -0.00475 0.13818 -0.15340 -0.32804 -0.27482 -0.61446 0.72191 -2.08325 -0.54843 2.19544 -3.96774 0.02657 -0.02816 -0.08979 -0.02885 -0.08090 1.07007 0.25962 -0.02332 3.80156 1.22879 0.02831 0.03731 0.02445 0.01617 0.05829 1.85331 0.74470 -0.17846 2.81873 -1.02632 -0.00674 -0.00755 0.03058 -0.02934 -0.02170 -0.46365 0.16748 -0.31599 -0.74928 0.07860 0.00097 0.00111 0.00363 0.00196 -0.00354 -0.00225 0.00148 0.00778 -0.00096 0.00219 0.00274 -0.00568 -0.00264 -0.01942 0.01227 0.00320 -0.02391 -0.02006 0.00358 0.00217 -0.00534 -0.00184 -0.00808 -0.00257 0.00763 0.00036 -0.00145 -0.01640 0.00081 -0.00204 -0.02349 0.00093 0.00110 -0.00011 -0.00317 0.00213 0.00089 0.00341 0.00674 -0.00194 -0.01050 0.02286 -0.00976 -0.00632 -0.00610 -0.00003 -0.00446 -0.00530 0.00304 -0.00176 -0.00457 -0.00211 -0.00187 -0.00051 -0.00233 -0.00542 -0.00223 -0.00055 -0.00875 -0.00210 -0.00726 -0.00334 -0.00304 -0.00082 -0.00380 -0.00866 -0.00360 -0.00093 -0.01425 -0.00332 -0.07520 -0.00299 0.01503 0.00540 0.01355 -0.01238 -0.00537 -0.00026 -0.01305 -0.00480 0.07617 -0.03727 0.00883 0.03489 0.00329 -0.00908 -0.03810 -0.00865 -0.01403 -0.00450 -0.01318 0.01893 -0.00106 0.13972 -0.02210 0.02109 -0.13532 -0.03578 0.02904 0.00984 0.02074 0.00859 0.00921 0.00235 0.01201 0.02361 0.01067 0.00354 0.04527 0.00786 -0.10666 -0.00437 0.02188 0.00853 0.02015 -0.01437 -0.00629 -0.00011 -0.01352 -0.00968 0.10777 -0.05212 0.01253 0.05570 0.00361 -0.00857 -0.05775 -0.01304 -0.01961 -0.00383 -0.01784 0.02862 -0.00141 0.22438 -0.03492 0.03131 -0.21013 -0.05650 0.04374 0.01262 0.03354 0.01112 -0.00068 0.00553 -0.00649 0.16909 0.06981 -0.00755 0.15172 0.01072 -0.05547 -0.01750 0.02115 0.00818 0.01385 -0.02520 -0.00592 -0.01068 -0.04613 -0.05585 0.06458 -0.04539 0.01188 0.04991 0.00195 -0.05007 -0.10462 -0.02661 -0.08342 -0.02235 -0.01012 0.02292 -0.00069 0.19996 -0.03297 0.06570 -0.36790 -0.08911 0.09150 0.04071 -0.09001 -0.18615 -0.03312 -0.12522 -0.17583 3.48397 1.59951 0.37567 1.65427 -4.06449 -0.03954 -0.02645 -0.00443 -0.04289 -0.09071 0.36465 -0.12317 -0.05224 -1.53244 -4.14454 0.02944 -0.05314 0.00651 0.00333 0.06379 -3.11575 -0.66183 -0.01679 -2.23580 0.96542 -0.00283 0.01470 0.00551 0.02989 -0.02337 0.88484 -0.30291 -0.12232 0.80349 -0.19721 0.00076 0.00025 -0.00434 -0.00208 0.00395 -0.00236 -0.00201 -0.00839 -0.00061 -0.00065 0.00133 -0.00336 -0.01307 0.00720 0.01461 -0.00003 0.01443 -0.02454 -0.00196 0.00115 -0.00261 0.00035 0.01074 0.00436 -0.00975 -0.00115 0.00314 0.02145 0.00096 0.00176 -0.01402 -0.00462 -0.00141 -0.00062 0.00385 0.00254 -0.00014 -0.00621 0.00426 -0.00199 -0.00425 0.01362 -0.01000 0.00055 -0.00374 -0.00602 0.00108 -0.00638 -0.00771 -0.00157 -0.00001 -0.01639 0.00325 0.00129 0.00264 -0.00152 -0.00170 -0.00036 -0.00321 0.00014 0.00002 -0.02615 0.00534 0.00209 0.00436 -0.00264 -0.00281 -0.00058 -0.00539 0.00021 0.11105 0.08624 -0.02347 -0.00923 -0.01705 -0.00203 -0.00103 -0.00036 0.00034 -0.00113 -0.05139 0.11469 -0.04599 -0.04435 -0.04338 -0.00014 -0.03018 -0.01536 0.00476 -0.00265 0.01035 -0.02205 0.02622 -0.13826 0.04372 0.01709 -0.12930 -0.04539 0.02374 0.01000 -0.00075 0.06746 -0.01374 -0.00522 -0.01050 0.01398 0.00985 0.00175 0.02167 -0.00276 0.15610 0.12076 -0.03284 -0.01296 -0.02343 -0.00513 -0.00029 -0.00066 0.00188 -0.00020 -0.07139 0.16424 -0.06348 -0.06897 -0.05774 -0.00121 -0.04763 -0.02156 0.00602 -0.00241 0.01438 -0.03128 0.03911 -0.22350 0.06829 0.02776 -0.20138 -0.06881 0.03893 0.02174 -0.03329 0.11518 -0.03313 -0.01313 -0.04108 -0.01934 0.02408 -0.00001 0.00193 0.16095 0.09362 0.10536 -0.04822 -0.02104 -0.04861 0.10189 -0.03871 -0.00083 -0.00374 -0.05173 -0.04075 0.09965 -0.06151 -0.06179 -0.07377 -0.04718 -0.05331 -0.08588 0.01021 -0.05526 0.00955 -0.01290 0.04509 -0.20497 0.06080 0.05079 -0.34857 -0.13488 0.05173 -0.01593 -0.05395 -0.01260 0.11596 0.01819 0.18070 -4.06211 -0.35444 0.09028 -5.38574 0.25659 0.09606 -0.01647 -0.13787 -0.10759 -0.24609 2.97189 -0.51650 -0.25465 3.31733 -0.96213 -0.04868 0.02143 0.05323 0.06123 0.07778 -1.09196 -0.37928 -0.05477 -2.72752 0.29767 0.01087 -0.00062 -0.05899 0.00714 0.00242 0.08507 -0.38972 -0.10756 0.58886 0.19328 0.00087 0.00290 -0.00435 -0.00377 0.00324 -0.00271 0.00223 0.00959 0.00152 0.00100 0.00100 -0.00406 -0.01326 0.00704 0.01255 0.00247 -0.01668 0.02383 0.00357 -0.00031 -0.00184 0.00206 0.01148 0.00711 -0.00684 0.00133 -0.00351 -0.02228 -0.00142 -0.00194 -0.01220 0.00134 0.00049 -0.00083 0.00548 0.00239 -0.00123 0.00386 -0.00278 0.00299 -0.00705 0.01435 -0.00749 0.00036 -0.00110 -0.00083 -0.00570 0.00452 -0.00233 0.00228 0.09170 -0.04464 0.01184 0.00163 0.01260 0.00034 -0.00113 -0.00067 -0.00172 -0.00116 0.13699 -0.06884 0.01983 0.00261 0.02110 -0.01113 -0.00001 -0.00640 0.00609 -0.01636 0.04608 -0.03422 0.01118 0.00208 0.01083 -0.08536 -0.04103 0.02637 -0.24938 0.26300 -0.00725 -0.01942 -0.01695 -0.00070 -0.02319 -1.05917 -0.18627 0.18438 -1.29220 1.87832 -0.00176 -0.00563 0.00180 0.00025 0.00101 -0.00031 0.00120 -0.00097 0.00300 -0.00177 -0.00674 0.00026 0.00239 -0.00117 -0.00055 -0.00131 0.00240 -0.00187 -0.00504 0.00294 0.00164 0.00085 0.00812 -0.00683 -0.00557 -0.00120 0.01333 -0.01276 -0.00192 -0.00219 0.00481 -0.00102 0.00624 0.00144 0.00680 -0.00945 -0.00160 0.00134 -0.00095 -0.00261 0.00776 -0.00171 0.00989 0.00229 0.01078 -0.01554 -0.00258 0.00214 -0.00176 -0.00408 0.06745 0.01745 -0.02868 -0.00458 -0.02568 0.01101 0.00331 -0.00387 -0.00198 0.00616 -0.05149 0.04604 -0.05331 0.01410 -0.01422 -0.02152 0.01668 -0.02905 -0.00783 -0.00939 0.01337 -0.00956 -0.08576 0.08323 0.08437 -0.00652 0.10061 -0.09829 -0.02115 0.00471 -0.02594 0.00762 -0.02805 -0.00631 -0.03141 0.05482 0.00781 -0.00639 0.01229 0.00783 0.09384 0.02184 -0.03948 -0.00627 -0.03394 0.01409 0.00343 -0.00468 -0.00118 0.00970 -0.07453 0.06631 -0.07684 0.02383 -0.01326 -0.02384 0.02700 -0.04274 -0.01441 -0.01117 0.01952 -0.01388 -0.14031 0.13211 0.13198 -0.00891 0.15379 -0.15234 -0.03424 0.01130 0.02752 -0.00664 -0.02423 -0.01218 -0.00904 0.01760 0.01568 -0.00729 0.00935 0.16455 0.09724 -0.00488 -0.03167 -0.00170 -0.03164 0.04191 0.04033 -0.02513 0.03005 -0.03122 -0.04837 0.05765 -0.06732 0.02139 -0.00548 -0.11311 0.02626 -0.08327 0.04484 0.02550 0.01280 -0.00989 -0.12390 0.13036 0.12324 -0.01691 0.29138 -0.28284 -0.06792 -0.04464 0.10976 -0.11192 -0.15575 -0.11020 -0.16497 -2.87016 -1.23977 -0.20289 0.26070 2.43027 -0.05058 -0.03861 -0.02790 -0.07603 -0.20494 4.98471 0.97254 0.06178 0.47026 -4.72155 -0.02211 -0.01073 -0.06627 -0.02457 -0.10529 -0.63442 -0.48875 -0.24099 0.40083 -2.11129 0.00071 0.00555 -0.02069 0.02878 0.06340 -0.16789 0.38290 -0.39439 -0.45707 0.43530 0.00067 0.00031 0.00311 0.00210 -0.00452 0.00010 -0.00166 -0.00914 -0.00065 -0.00127 0.00301 -0.00421 -0.00641 -0.01987 0.00794 -0.00450 0.02554 0.01819 -0.00540 -0.00053 -0.00371 0.00137 -0.00859 -0.00361 0.00632 -0.00035 0.00169 0.01786 0.00057 0.00306 -0.01541 0.00779 0.00211 0.00079 -0.00171 0.00282 0.00103 -0.00452 0.00067 0.00173 -0.01342 0.01003 -0.00416 -0.00531 0.00058 0.00414 0.00762 0.00553 0.00386 0.00124 -0.01017 0.03941 -0.01657 -0.00311 -0.01550 0.00012 -0.00029 -0.00109 -0.00031 0.00120 -0.01733 0.06048 -0.02617 -0.00506 -0.02513 0.01711 0.00821 -0.00160 0.02626 0.01745 -0.00277 0.02245 -0.01564 -0.00416 -0.01754 -0.39026 -0.13469 -0.02479 -0.53699 -0.24217 0.00693 -0.02269 -0.00564 -0.01159 -0.00201 -2.49860 -0.75397 -0.09458 -3.19618 -1.69136 -0.00589 0.00230 0.00019 0.00022 0.00042 0.00215 0.00114 0.00037 0.00665 0.00074 0.00306 0.00083 -0.00039 0.00274 -0.00069 0.00587 -0.00211 -0.00105 0.00739 0.00256 -0.00035 0.00058 0.00019 0.01186 -0.00161 0.00080 -0.01790 -0.00521 0.00139 -0.00138 -0.00454 0.00356 -0.00392 -0.00163 -0.00426 -0.00186 -0.00113 -0.00057 -0.00198 0.00209 -0.00720 0.00575 -0.00636 -0.00265 -0.00683 -0.00342 -0.00180 -0.00091 -0.00332 0.00359 -0.05153 0.01205 0.01878 0.00414 0.02267 0.00314 0.00236 0.00249 -0.00571 0.00098 0.06810 -0.07569 0.00507 -0.01037 0.04880 -0.00346 0.01067 0.03950 0.00201 0.00449 -0.01885 0.00865 -0.10827 -0.07040 0.07475 -0.00922 0.03283 0.15413 0.00019 0.01691 0.01782 -0.01960 0.01845 0.00726 0.01719 0.02153 0.00353 0.00303 0.01566 -0.01253 -0.07907 0.02024 0.02933 0.00659 0.03681 0.00391 0.00650 0.00469 -0.01459 -0.00810 0.09613 -0.10798 0.00387 -0.01743 0.07371 0.00172 0.01726 0.06255 0.00168 0.00831 -0.02699 0.01023 -0.17354 -0.11263 0.12082 -0.01326 0.05464 0.24023 0.00177 0.02166 0.03352 0.00985 0.02448 0.02328 0.05340 -0.11025 0.06660 -0.02093 -0.12684 -0.09773 -0.02777 0.05590 0.02971 0.00501 0.05989 -0.05027 -0.00492 0.01116 0.01466 0.11942 0.10753 -0.09576 0.00520 -0.01874 0.07870 -0.10845 0.02014 0.08804 0.06389 -0.00097 -0.02927 0.01065 -0.16043 -0.10846 0.12239 -0.01326 0.08123 0.42533 -0.02296 0.12480 -0.06711 0.35920 0.37777 0.36886 0.93618 -6.08679 0.62297 -0.01986 -3.10702 9.12634 -0.04332 -0.01943 -0.00758 -0.03805 0.16064 -7.07488 -1.40256 -0.12554 -4.44914 2.54392 0.00453 -0.03710 0.02941 -0.05994 -0.05933 1.40526 0.31960 0.22532 0.06902 -2.16460 0.00507 -0.00598 0.03588 -0.04523 -0.00281 0.16988 0.18729 0.57044 0.23424 0.75664 0.00377 0.00007 -0.00527 0.00895 0.00188 -0.00379 0.01395 -0.00157 -0.00050 -0.00039 -0.00007 -0.00502 0.00573 0.00086 -0.00599 -0.00022 -0.00046 0.01618 0.00047 -0.00155 -0.00616 -0.00261 0.01039 -0.02177 -0.00208 0.00188 -0.03229 0.00721 0.00637 0.00059 -0.02641 -0.00882 0.00115 0.00621 0.00382 -0.00417 0.00625 -0.00158 -0.00421 -0.00148 -0.00155 0.00457 -0.01904 -0.00500 -0.02649 0.00270 -0.00329 0.00047 -0.00217 -0.00198 0.07035 -0.04043 0.00939 0.00103 0.00939 0.00171 -0.00041 0.00120 -0.00352 -0.00014 0.10494 -0.06003 0.01771 0.00130 0.01794 0.02440 0.00132 0.00474 -0.00601 0.02443 0.04752 -0.02627 -0.00026 0.00266 0.00282 -0.40285 -0.12396 -0.01761 0.04848 -0.16027 -0.01358 0.00588 -0.00735 0.00820 -0.01639 -1.58444 -0.69421 -0.06715 -0.25510 -1.27499 0.00073 0.00259 -0.00224 -0.00025 -0.00212 -0.00347 -0.00006 -0.00054 0.00028 -0.00004 0.00425 -0.00012 -0.00160 0.00163 0.00210 0.00928 0.00532 -0.00320 0.00095 0.00475 -0.00093 -0.00004 -0.00800 0.00682 0.00614 -0.00291 0.01236 -0.01438 -0.00382 -0.00318 -0.00363 -0.03105 0.00425 0.00185 0.00110 -0.00028 0.00385 0.00044 0.00348 -0.00261 -0.00561 -0.04747 0.00651 0.00292 0.00159 -0.00052 0.00633 0.00102 0.00560 -0.00472 -0.00250 -0.04468 0.04174 0.00683 0.04721 0.01281 -0.01738 -0.00624 -0.00813 0.00468 -0.00829 -0.08780 0.01641 0.00512 0.01156 -0.00223 0.00197 0.00302 0.00558 0.00233 0.00442 0.03264 0.01271 -0.00459 0.02052 0.01259 -0.04445 -0.01435 -0.00338 -0.00176 0.01292 0.12163 -0.01992 -0.00907 -0.00829 0.00053 -0.01976 -0.01307 -0.01422 0.01888 -0.00387 -0.06396 0.06616 0.01019 0.07508 0.02284 -0.03095 -0.01285 -0.01284 0.01679 -0.01439 -0.12626 0.02146 0.00641 0.01362 -0.00743 0.00453 0.00607 0.00184 -0.01291 0.00734 0.04795 0.02229 -0.00644 0.03541 0.02127 -0.07420 -0.02357 -0.00400 -0.00259 0.03548 0.16550 0.01819 0.01702 0.10583 0.04166 -0.10092 0.23379 -0.08550 0.17972 -0.00420 0.00290 0.03211 0.00139 0.02154 -0.02563 -0.00498 -0.06245 -0.12618 -0.13455 -0.00377 -0.07324 -0.01579 0.01482 0.00420 0.06837 -0.05376 0.05331 0.05350 0.30077 -0.00676 -0.00224 0.00496 0.01311 0.03908 0.05396 -0.13473 -0.00677 0.06920 0.11232 -0.00119 0.02215 -0.02474 0.02229 -0.04032 1.38144 0.41609 0.05660 0.85290 -1.04520 0.00041 0.00827 -0.00968 0.00740 -0.01087 -0.03446 0.15823 -0.07261 0.01866 0.05175 0.00460 0.00513 0.01276 -0.01531 0.00720 -0.36717 -0.03940 -0.05510 -0.26772 0.29940 -0.00131 0.00027 0.00573 -0.00647 -0.01084 0.17006 0.07984 -0.05884 -0.01765 -0.39574 -0.00295 -0.02114 0.00716 -0.01015 0.00949 -0.00093 -0.02032 -0.00244 0.00294 0.00251 -0.00207 0.00981 0.01214 0.01707 0.01423 -0.00122 0.01711 0.01374 -0.00611 -0.00092 -0.00480 -0.02836 -0.00485 0.01323 -0.00926 -0.00347 0.02341 0.00432 -0.00287 -0.00002 -0.01196 -0.00166 0.00891 -0.00020 0.01224 0.00112 -0.00704 0.00258 0.00072 0.00185 0.00528 0.03484 -0.01295 -0.00398 -0.01202 -0.00334 0.00043 0.00212 0.00279 -0.00070 -0.00241 -0.00266 0.00338 0.00408 -0.00848 -0.01160 -0.00176 -0.01459 0.00671 0.01359 -0.00392 -0.00432 0.00556 0.00669 -0.01378 -0.01859 -0.00285 -0.02408 0.01074 0.02148 -0.03676 0.00433 0.02792 0.01565 -0.01179 0.01052 -0.00853 -0.01223 -0.01493 -0.00943 0.01779 0.04000 0.02441 -0.00642 0.03406 -0.01178 -0.01733 0.01366 0.00905 0.00441 0.00397 0.00923 -0.00589 -0.00805 0.02690 -0.00978 0.00861 0.03128 0.00253 0.01486 0.01302 0.01328 -0.01814 -0.02042 0.04074 0.04975 0.00869 0.07125 -0.02858 -0.04814 -0.05309 0.00386 0.04162 0.02445 -0.02306 0.02233 -0.01352 -0.01910 -0.02513 -0.02345 0.02622 0.05950 0.03391 -0.01090 0.04957 -0.02137 -0.02918 0.02191 0.01089 0.01256 0.00842 0.01531 -0.01196 -0.01497 0.04503 -0.01707 0.01348 0.05597 0.00683 0.03841 0.00404 0.01698 -0.03204 -0.03974 0.06890 0.26705 0.01204 0.26998 -0.17667 -0.42165 -0.04697 0.00587 0.02963 0.01986 -0.00923 -0.01203 -0.00353 -0.03400 -0.01624 0.09426 0.02458 0.05615 0.04251 -0.01119 0.05798 -0.00288 -0.04149 0.05870 0.07389 -0.05453 -0.00704 0.00676 -0.01424 -0.01341 0.03849 0.02059 0.04169 0.13082 -0.02375 -0.11868 0.01631 -0.02152 -0.01997 -0.06635 -0.05484 4.76589 0.47451 1.38278 -1.26895 -8.34773 -0.00959 0.01591 -0.00677 0.02286 0.04017 -0.69730 -0.20327 -0.01781 -0.35958 0.16493 0.01025 0.00730 0.01223 -0.01467 0.02107 -0.09707 -0.35644 0.20142 0.16826 0.08393 -0.00385 -0.00374 0.00331 -0.00153 -0.00063 0.01992 0.07310 0.23952 -0.25341 -0.48453 0.00812 0.00405 -0.00148 -0.00278 0.00717 0.00131 0.00080 0.00652 0.00093 -0.00144 0.00238 -0.00261 -0.00277 0.00040 -0.00774 -0.00037 0.00087 0.00105 0.00092 0.00027 -0.00226 -0.00736 -0.01147 -0.00266 -0.01282 0.00137 -0.00125 -0.00366 -0.00039 0.00166 -0.00444 0.00721 0.01237 0.00358 0.00894 0.00021 -0.00194 -0.00674 0.00011 -0.00025 -0.00090 -0.00134 0.00091 0.00052 -0.00060 -0.00092 -0.00154 0.00144 0.00049 0.00162 0.02383 0.01953 0.01040 -0.00434 0.01948 -0.00530 -0.00175 0.01051 0.00510 -0.00364 0.03516 0.02640 0.01545 -0.00387 0.03033 -0.00023 0.00668 0.01543 -0.00623 -0.01824 0.00743 0.02339 0.01980 0.00977 0.02923 -0.22995 0.05889 0.00405 0.18437 0.19898 -0.01479 -0.00337 0.00699 0.01865 0.00756 -1.17891 0.16321 -0.11059 -0.39671 1.70095 -0.00123 0.00146 0.00156 -0.00066 0.00090 0.00182 -0.00337 0.00141 -0.00126 -0.00207 -0.00147 -0.00038 0.00126 0.00040 0.00055 -0.00226 0.00091 0.00082 0.00034 0.00245 0.00258 0.00214 -0.00003 -0.00078 0.00251 0.00056 0.00056 0.00165 -0.00030 -0.00248 -0.03273 0.01245 0.03219 0.01261 0.00700 0.00154 -0.00613 -0.01135 -0.00378 -0.00074 -0.04975 0.02106 0.05724 0.02447 0.01183 0.00522 -0.01236 -0.03868 -0.00961 -0.02553 -0.01973 0.01133 0.04816 0.01753 0.01384 -0.15404 -0.01131 -0.10501 0.13105 0.31738 -0.00084 -0.01165 0.01457 -0.01158 -0.03488 -0.37870 0.19749 -0.57495 1.02098 2.04238 0.00192 -0.00137 -0.00132 -0.00017 -0.00148 -0.00548 0.00076 -0.00398 0.00554 0.00599 0.00153 0.00214 0.00134 -0.00038 0.00197 -0.00160 -0.00110 0.00097 0.00036 0.00211 -0.00020 0.00058 -0.00035 -0.00032 0.00175 -0.00175 0.00167 0.00278 0.00036 0.00199 -0.00558 -0.04074 -0.03894 -0.00301 -0.04087 0.00304 0.00685 -0.00298 -0.00105 0.00195 -0.00699 -0.06307 -0.06497 -0.00507 -0.07202 0.01563 0.01630 -0.00696 -0.00115 -0.00504 -0.00152 -0.02469 -0.04361 -0.00413 -0.05885 -0.16281 -0.02254 -0.04130 0.21970 0.23294 0.00833 0.00147 0.00523 -0.00194 0.01578 -1.29884 -0.60808 0.02731 0.56000 2.19827 -0.00270 -0.00100 0.00008 0.00120 -0.00082 0.00220 0.00276 -0.00140 -0.00152 -0.00264 0.00062 -0.00172 -0.00234 -0.00028 -0.00048 0.00645 0.00314 0.00004 -0.00228 -0.00457 0.00012 -0.00094 -0.00145 -0.00044 0.00023 0.00075 0.00134 0.00302 -0.00030 -0.00101 -0.00305 -0.00320 -0.00719 -0.00222 -0.00043 -0.01774 0.00300 0.00765 0.00918 -0.00837 -0.00498 -0.00516 -0.01173 -0.00363 -0.00056 -0.02863 0.00523 0.01278 0.01466 -0.01319 -0.03234 0.00381 -0.01327 -0.00570 0.01782 0.00844 -0.00350 0.01242 -0.01548 -0.00875 0.03625 0.03349 0.03598 0.01187 0.02745 -0.01403 -0.00794 -0.01695 0.00419 -0.00333 -0.01416 0.00114 -0.00965 -0.00978 -0.00108 0.00957 -0.00839 0.01287 -0.00126 0.01657 0.01592 0.01568 0.03793 0.00982 -0.00145 0.08042 -0.03015 -0.04072 -0.03492 0.02664 -0.04700 0.00428 -0.02391 -0.01012 0.02561 0.01399 -0.00411 0.01921 -0.02888 -0.01091 0.05529 0.04916 0.05375 0.01871 0.03773 -0.02220 -0.01364 -0.03107 0.00661 -0.01058 -0.02403 0.00041 -0.01793 -0.01570 -0.00270 0.02121 -0.01135 0.02334 -0.00838 0.03189 0.00969 0.00941 0.01264 0.03517 0.00876 0.36533 0.10790 -0.12062 -0.28674 0.35284 -0.04788 0.01154 0.00195 -0.01562 0.01550 0.02212 -0.09009 0.05783 0.03121 -0.05904 0.04103 0.04161 0.05314 0.02035 0.04411 -0.00941 -0.00719 -0.05101 0.00885 0.08594 -0.00823 0.00830 0.00629 -0.01803 -0.00063 -0.06026 -0.06981 0.02780 0.06735 -0.05921 0.00863 -0.00205 -0.03071 0.03572 -0.07881 6.23298 0.04428 -0.22984 -1.43344 5.66926 -0.01149 0.00352 0.00721 -0.01761 0.00659 0.03729 -0.15123 0.02544 -0.72429 -0.83493 0.00984 -0.00512 -0.00895 -0.00377 -0.00056 0.31005 -0.12290 0.01922 0.33248 0.28441 0.00609 -0.00066 0.01745 -0.00697 0.00770 -0.46311 -0.01584 0.02616 -0.01203 -0.25944 0.00783 0.00620 0.00735 0.00083 0.00881 0.00145 -0.00139 0.00068 -0.00000 -0.00006 -0.00106 0.00246 0.00584 0.00204 0.00557 -0.00006 -0.00030 0.00178 -0.00013 0.00018 -0.00416 0.00057 0.00145 -0.00055 0.00515 -0.00189 0.00085 0.00317 -0.00025 -0.00055 -0.00235 0.00935 0.00851 0.00170 0.01811 -0.00066 0.00561 0.00546 -0.00126 0.00254 -0.00056 -0.00050 -0.00148 -0.00053 0.00025 -0.00028 0.00039 -0.00339 0.00090 -0.00000 -0.02099 -0.03548 -0.03218 -0.00808 -0.04344 0.00135 -0.00330 -0.00118 0.00230 -0.00308 -0.03171 -0.05588 -0.04763 -0.01631 -0.07861 0.01393 -0.03858 -0.00345 0.01011 0.00731 -0.01009 -0.03551 -0.05228 -0.00718 -0.05881 -0.33486 0.01390 -0.01455 0.16911 -0.28228 0.01458 -0.01217 -0.01178 -0.01464 0.00622 -1.22326 -0.25291 0.01239 1.13001 -0.97782 -0.00355 0.00023 -0.00148 -0.00049 0.00082 0.00084 0.00029 0.00213 -0.00089 0.00051 -0.00136 -0.00145 -0.00013 -0.00050 -0.00177 0.00862 -0.00082 0.00003 -0.00256 0.00299 -0.00122 0.00012 -0.00085 -0.00059 0.00009 0.00234 0.00052 0.00017 -0.00088 0.00078 -0.02390 0.01517 0.00550 0.00027 0.03138 -0.00128 0.00706 0.00813 -0.00610 -0.00103 -0.03687 0.02360 0.00934 0.00004 0.05622 0.00793 0.02199 0.01991 -0.01330 -0.00384 -0.01322 0.00694 0.00082 0.00764 0.05816 -0.39056 0.12142 0.02052 0.08249 -0.14804 -0.00137 0.00171 -0.00498 0.01145 0.01163 -1.70193 0.26080 0.19739 1.50823 -0.32236 0.00110 -0.00136 -0.00134 -0.00000 -0.00175 -0.00688 0.00346 0.00125 0.00601 0.00146 0.00242 0.00152 0.00211 0.00077 0.00107 -0.00214 0.00034 -0.00194 0.00137 -0.00109 0.00016 -0.00000 -0.00100 -0.00069 0.00000 0.00123 -0.00051 0.00253 0.00028 0.00043 0.01595 0.01318 0.01368 -0.00045 0.00793 -0.00100 -0.00393 -0.00173 0.00307 0.00655 0.02228 0.02187 0.02346 -0.00477 0.01495 0.00831 -0.02320 0.01342 0.00822 0.03333 0.00944 0.00781 -0.00621 0.00359 0.02301 -0.21038 0.04526 0.01051 0.12364 -0.32623 -0.00999 0.00121 -0.00808 -0.00209 -0.00510 -0.82709 -0.03723 0.00949 0.05944 -2.07758 -0.00115 0.00105 0.00172 -0.00019 0.00015 0.00379 -0.00379 -0.00051 -0.00108 0.00176 0.00147 0.00143 0.00103 0.00021 0.00246 -0.00273 0.00002 0.00255 0.00129 -0.00183 -0.00256 -0.00135 -0.00232 -0.00008 0.00015 -0.00407 0.00296 0.00063 -0.00031 -0.00579 0.00626 0.00902 0.01072 0.00343 0.01444 0.00302 0.00471 0.00349 -0.00054 -0.00097 0.01011 0.01456 0.01748 0.00560 0.02342 0.00503 0.00759 0.00567 -0.00098 -0.00157 0.07787 -0.00906 -0.04338 -0.01140 -0.05019 0.00000 -0.00531 -0.00794 0.00722 0.00235 -0.02924 -0.08330 -0.10734 -0.02250 -0.14601 0.01307 -0.01030 -0.01980 -0.00680 0.00386 0.00571 -0.01544 0.00407 0.01100 -0.04260 -0.00065 -0.00508 -0.00125 0.00070 -0.01843 -0.03004 -0.03932 -0.05010 -0.01679 -0.06306 -0.01634 -0.01939 -0.01472 0.00404 0.00439 0.11649 -0.01502 -0.06590 -0.01740 -0.07585 0.00025 -0.00760 -0.01077 0.01647 0.00640 -0.04351 -0.12728 -0.16098 -0.03408 -0.22011 0.02200 -0.01738 -0.02830 -0.00956 0.00366 0.00866 -0.02405 0.00625 0.01829 -0.06600 -0.00100 -0.00412 -0.00643 0.00040 -0.02916 -0.04864 -0.08894 -0.09183 -0.03061 -0.15464 -0.04669 -0.10238 -0.05685 -0.01491 -0.00302 0.10387 -0.00124 -0.06230 -0.01564 -0.07600 -0.03258 -0.02079 -0.03298 -0.01737 0.00757 -0.04397 -0.13690 -0.19771 -0.03452 -0.26665 0.04554 0.00482 -0.05198 -0.04022 0.02574 0.00193 -0.02163 -0.00386 -0.00336 -0.05990 -0.00435 -0.04633 0.06874 0.01803 -0.10637 -0.03477 -0.15335 -0.06533 -0.02889 -0.37652 0.97837 0.26385 -0.38941 2.48031 -1.59791 0.02395 0.03807 -0.00571 0.00419 0.01207 -0.69485 0.00865 -0.17498 0.27423 0.28123 -0.04937 -0.03525 -0.11266 0.01761 -0.12181 0.54554 0.27452 -0.11785 -0.66612 0.20875 0.00340 0.01963 0.01728 -0.01960 -0.01592 0.00410 -0.10476 0.14587 0.01678 -1.68027 0.00577 0.00164 -0.00156 -0.00165 0.00062 -0.00104 -0.00086 0.00135 -0.00003 0.00079 0.00185 -0.00002 0.00947 0.00643 -0.00582 0.00100 -0.00390 -0.02089 -0.00016 -0.00123 -0.00263 -0.00201 -0.00274 -0.00227 0.00243 -0.00062 -0.00091 0.00562 0.00086 -0.00056 -0.00350 0.00238 -0.00056 -0.00074 0.00027 0.00033 -0.00106 -0.00003 -0.00015 -0.00020 -0.00560 0.00426 0.00275 0.00173 -0.00072 -0.00213 0.00021 -0.00386 0.00195 0.00067 -0.02029 0.00566 0.07348 0.03240 0.08141 0.00292 0.01381 0.00890 -0.00491 -0.00190 -0.03716 0.00563 0.13885 0.06155 0.15279 -0.00414 0.03665 0.01000 -0.00999 -0.01026 -0.01752 0.00456 0.09934 0.03629 0.11329 0.02413 0.12248 0.04216 0.02321 0.00379 -0.01803 -0.02017 -0.02793 0.00456 0.02362 -1.20683 -0.43812 0.47884 0.29047 1.21638 -0.00032 -0.00370 -0.00227 0.00111 -0.00375 -0.00275 0.00831 0.00183 0.00122 0.00059 0.00346 0.00366 -0.00078 -0.00291 0.00203 0.00001 -0.00275 0.00127 -0.00095 0.00152 0.00068 -0.00010 -0.00268 -0.00188 -0.00223 -0.00176 -0.00230 0.00256 0.00080 -0.00285 -0.02397 -0.02992 0.01580 0.01949 -0.00062 0.00419 0.01682 -0.00501 0.00096 -0.00361 -0.04019 -0.04072 0.03227 0.03087 0.00850 0.02150 0.02757 -0.00751 -0.02505 -0.00809 -0.00830 -0.02163 0.07717 0.04251 0.09532 -0.08310 0.01278 0.08566 0.35542 0.14210 0.02269 0.01872 0.10227 0.01468 0.05527 1.08554 0.79183 -0.51311 -0.48422 -1.37706 0.00073 -0.00204 0.00171 0.00277 -0.00032 -0.00390 0.00811 -0.00220 0.00247 -0.00070 0.00001 0.00988 0.01916 0.00525 0.02599 0.00096 0.00206 0.00393 -0.00201 0.00120 0.00043 0.00038 0.00311 0.00012 0.00357 -0.00192 -0.00141 0.00204 0.00021 -0.00188 0.00042 0.00308 0.00067 0.00254 0.00067 -0.00284 0.00663 0.00234 -0.00121 0.00480 0.00069 0.00516 0.00111 0.00420 0.00111 -0.00472 0.01107 0.00392 -0.00209 0.00801 0.01034 0.05444 -0.04234 0.01452 -0.04128 -0.00560 0.02079 0.01384 -0.00507 -0.00278 0.03372 0.08599 -0.01023 0.02367 -0.01310 -0.00232 0.01681 0.00031 -0.00322 0.00119 0.00373 -0.02888 -0.02323 -0.01594 -0.02293 -0.00388 -0.01154 -0.00050 0.00654 0.00348 -0.00230 -0.01785 -0.00370 -0.01384 -0.00363 0.01548 -0.03765 -0.01376 0.00874 -0.02656 0.01484 0.07913 -0.06092 0.02088 -0.05940 -0.00872 0.02970 0.01961 -0.00796 -0.00366 0.04858 0.12343 -0.01476 0.03394 -0.01886 -0.00307 0.02404 0.00078 -0.00437 0.00120 0.00580 -0.04252 -0.03358 -0.02277 -0.03323 -0.00548 -0.01659 0.00017 0.00886 0.00648 -0.00033 -0.00935 -0.00486 -0.01332 -0.00639 0.03119 -0.05280 -0.01442 -0.00876 -0.05390 0.01401 0.06836 -0.05970 0.01800 -0.05829 -0.00837 0.03211 0.02376 -0.00466 -0.00163 0.04467 0.11389 -0.01434 0.03678 -0.01954 -0.00511 0.03187 -0.00098 -0.00716 0.00357 0.00511 -0.03073 -0.03238 -0.01688 -0.03216 -0.00287 -0.01543 -0.00212 0.01233 -0.00975 -0.01888 -0.04731 -0.01040 0.01453 0.00435 -0.02398 -0.03418 -0.04964 0.27252 0.17801 0.00650 0.01974 -0.01137 0.00060 -0.01602 -0.01233 0.02218 0.01890 -0.03269 -0.02823 0.00619 0.03370 -0.00219 -0.00345 -0.00453 -0.00969 -0.00029 -0.00040 -0.03789 -0.05777 -0.00362 -0.01835 -0.01123 -0.00114 -0.01247 -0.00494 -0.00427 -0.00563 0.07772 0.10070 0.00018 -0.00131 -0.00002 -0.00023 0.00026 0.00048 -0.00099 -0.00013 -0.00020 0.00006 0.00011 0.00164 0.00015 0.00068 0.00042 0.00021 -0.00060 0.00003 -0.00036 0.00017 0.00082 0.00067 0.00013 0.00074 -0.00002 -0.00033 0.00020 0.00012 0.00025 0.00018 -0.00029 -0.00062 0.00017 -0.00003 0.00016 -0.00024 0.00049 0.00057 0.00021 -0.00002 -0.00031 -0.00004 -0.00026 -0.00005 -0.00025 -0.00006 0.00066 0.00018 -0.00012 -0.00011 0.00045 0.00270 0.00131 -0.00100 0.00159 -0.00154 -0.00232 -0.00092 -0.00101 0.00168 0.00076 0.00454 0.00218 -0.00165 0.00265 -0.00261 -0.00390 -0.00155 -0.00174 0.00285 0.00828 0.03451 -0.04041 -0.02086 -0.04785 -0.00373 0.00483 -0.00477 -0.00077 -0.00090 -0.00419 0.08995 0.00230 -0.02123 0.00743 0.00210 -0.02059 -0.00686 0.00164 -0.00249 0.00866 -0.03353 -0.02076 0.01399 -0.02180 -0.00414 0.01659 0.01119 0.00011 0.00644 -0.00264 -0.01599 -0.00759 0.00536 -0.00937 0.00949 0.01406 0.00518 0.00691 -0.01075 0.01219 0.04913 -0.05819 -0.03019 -0.06878 -0.00500 0.00635 -0.00698 -0.00204 -0.00111 -0.00559 0.13065 0.00346 -0.03050 0.01025 0.00329 -0.02907 -0.01161 0.00294 -0.00550 0.01262 -0.04786 -0.03001 0.02042 -0.03158 -0.00640 0.02459 0.01633 -0.00068 0.01130 -0.00433 -0.00450 -0.00581 0.00452 -0.00318 0.00974 0.00484 0.01254 0.00167 -0.00359 0.00817 0.05013 -0.05532 -0.03152 -0.06582 -0.00563 0.00572 -0.00765 0.00462 -0.00175 -0.00696 0.10652 -0.00006 -0.02726 0.00702 0.00014 -0.02896 -0.00585 -0.00315 0.00279 0.01320 -0.04786 -0.02997 0.02059 -0.03261 -0.00529 0.02679 0.01624 0.00186 -0.00020 0.00057 0.01672 0.01582 -0.02562 -0.04945 -0.06683 0.16809 -0.13522 0.03031 -0.31816 0.00315 0.01253 -0.01406 -0.00604 -0.01946 -0.02197 0.01771 -0.00924 0.00111 -0.03327 -0.00058 0.02031 -0.00670 0.00176 0.01782 0.03313 -0.07100 0.04102 0.03404 0.07664 0.00087 -0.01544 -0.00797 0.00321 -0.00614 0.00016 0.01490 0.03507 -0.00489 0.09664 -0.00033 0.00093 0.00026 -0.00021 0.00024 -0.00029 0.00056 0.00027 0.00009 -0.00016 0.00003 0.00007 0.00016 0.00062 0.00039 -0.00011 0.00026 0.00074 -0.00005 -0.00004 -0.00041 -0.00114 0.00004 0.00010 -0.00012 -0.00033 0.00124 0.00063 0.00022 0.00001 -0.00012 0.00145 0.00047 -0.00030 0.00046 -0.00014 0.00081 -0.00006 -0.00031 0.00006 -0.00012 0.00111 -0.00016 0.00002 -0.00032 -0.00046 0.00073 -0.00010 0.00037 -0.00026 1 H 1S 2S 3S 4S 5PX 5PY 5PZ 2 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 3 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 4 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 5 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 6 H 1S 2S 3S 4S 5PX 5PY 5PZ 7 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 8 H 1S 2S 3S 4S 5PX 5PY 5PZ 9 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 10 H 1S 2S 3S 4S 5PX 5PY 5PZ 11 B 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 12 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 13 H 1S 2S 3S 4S 5PX 5PY 5PZ 14 H 1S 2S 3S 4S 5PX 5PY 5PZ 15 H 1S 2S 3S 4S 5PX 5PY 5PZ 16 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 17 H 1S 2S 3S 4S 5PX 5PY 5PZ 18 H 1S 2S 3S 4S 5PX 5PY 5PZ 19 H 1S 2S 3S 4S 5PX 5PY 5PZ 20 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 21 H 1S 2S 3S 4S 5PX 5PY 5PZ 22 H 1S 2S 3S 4S 5PX 5PY 5PZ 23 F 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 24 F 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 1 H 1S|2S|3S|4S|5PX|5PY|5PZ|2 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|3 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|4 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|5 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|6 H 1S|2S|3S|4S|5PX|5PY|5PZ|7 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|8 H 1S|2S|3S|4S|5PX|5PY|5PZ|9 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|10 H 1S|2S|3S|4S|5PX|5PY|5PZ|11 B 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|12 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|13 H 1S|2S|3S|4S|5PX|5PY|5PZ|14 H 1S|2S|3S|4S|5PX|5PY|5PZ|15 H 1S|2S|3S|4S|5PX|5PY|5PZ|16 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|17 H 1S|2S|3S|4S|5PX|5PY|5PZ|18 H 1S|2S|3S|4S|5PX|5PY|5PZ|19 H 1S|2S|3S|4S|5PX|5PY|5PZ|20 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|21 H 1S|2S|3S|4S|5PX|5PY|5PZ|22 H 1S|2S|3S|4S|5PX|5PY|5PZ|23 F 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|24 F 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2 0.27181 0.49391 0.02585 -0.03059 0.01440 0.00436 0.00564 1.10442 0.88472 0.23226 0.23477 0.17048 0.75559 0.52404 0.52876 0.43505 0.45442 0.24411 0.16186 0.35714 0.20161 0.09928 -0.10882 0.00491 0.00474 0.00446 0.01024 0.02215 0.01639 1.10445 0.88471 0.23645 0.23090 0.16703 0.75760 0.53183 0.52356 0.42683 0.45959 0.18057 0.25061 0.35245 -0.26650 -0.08379 0.04117 0.01321 0.00402 0.01042 0.00518 0.01916 0.02124 1.10442 0.88473 0.23496 0.23170 0.16981 0.75655 0.52878 0.52413 0.43342 0.44788 0.19118 0.23307 0.35509 0.09797 -0.03921 0.07683 0.01290 0.00409 0.00955 0.00651 0.01696 0.02149 1.10440 0.88474 0.23746 0.23372 0.16683 0.75277 0.53676 0.53551 0.42949 0.47544 0.21777 0.19918 0.36289 0.02321 0.12024 0.25639 0.03575 0.00421 0.00889 0.00699 0.01597 0.01749 0.27203 0.49022 0.02484 -0.05911 0.00575 0.01280 0.00578 1.10438 0.88470 0.23768 0.22733 0.17614 0.75306 0.53174 0.51452 0.44584 0.45327 0.17324 0.22267 0.36512 -0.06476 -0.03549 0.03628 0.03402 0.00415 0.01060 0.00537 0.01593 0.02021 0.27189 0.49291 0.02142 -0.04560 0.00790 0.01052 0.00605 1.10449 0.88471 0.19768 0.24280 0.18626 0.75396 0.47632 0.53990 0.46560 0.40423 0.02968 0.19436 0.37124 0.37518 -0.03206 -0.11462 -0.03483 0.00689 0.01041 0.01201 0.03262 0.03077 0.27146 0.49175 0.04984 -0.02217 0.00601 0.01285 0.00637 1.13265 0.85466 0.13169 0.17939 0.13659 0.63146 0.31899 0.35793 0.29429 0.17242 0.09809 0.07109 0.10117 -0.03749 0.00790 0.01685 0.01364 0.06464 0.05751 0.06993 0.04980 0.06391 1.10438 0.88485 0.22049 0.22451 0.19073 0.74031 0.52178 0.53088 0.46825 0.48931 0.31001 0.32747 0.18894 0.13881 0.03850 0.00285 -0.02233 0.01516 0.01071 0.01583 0.01517 0.00404 0.27109 0.46552 0.02795 0.01572 0.00559 0.00919 0.00812 0.27195 0.48029 0.04117 -0.00335 0.01321 0.00495 0.00328 0.27153 0.47830 0.04711 -0.00087 0.00484 0.01222 0.00398 1.10436 0.88492 0.22134 0.21307 0.20264 0.73717 0.52425 0.50997 0.48884 0.50150 0.32769 0.27484 0.22876 0.11522 0.02266 -0.00826 -0.02432 0.01532 0.01057 0.01195 0.01836 0.00524 0.27185 0.47827 0.05786 0.00736 0.00477 0.01291 0.00382 0.27180 0.47807 0.03843 0.00983 0.01291 0.00465 0.00383 0.27161 0.47526 0.02691 -0.00891 0.00603 0.00488 0.01057 1.09541 0.89600 0.24412 0.30312 0.23728 0.84381 0.57571 0.67113 0.56324 0.74697 0.35007 0.56569 0.37246 -0.33255 -0.06345 -0.03549 -0.03501 0.00840 0.00797 0.00684 0.00777 0.00415 0.26159 0.58784 0.15738 0.00455 0.00298 0.01096 0.00249 0.20588 0.41297 0.17882 -0.04457 0.00312 0.04160 0.00181 1.07783 0.91683 0.40023 0.41481 0.36654 1.07285 0.79848 0.81880 0.75297 0.88790 0.59852 0.63459 0.48669 -0.18319 0.02108 0.02982 0.01244 0.00141 0.00124 0.00060 0.00018 0.00016 1.07783 0.91685 0.40645 0.36965 0.40522 1.07431 0.80746 0.75897 0.80751 0.88021 0.61390 0.48031 0.60298 -0.20927 0.01904 -0.00295 0.03283 0.00047 0.00020 0.00105 0.00109 0.00095 1.3012 -6.0314 1.7020 6.4006 -49.8900 -85.7625 -74.6537 -29.2954 9.4524 1.3732 20.2121 -15.6604 -4.5516 -29.2954 9.4524 1.3732 -687.5084 -206.9794 9.6097 -366.1161 -187.3330 54.7881 -301.0877 -55.3786 10.4277 13.8793 -6986.5104 -1487.2712 -342.9765 -1253.2337 355.7175 -873.0243 118.0588 92.4221 126.1567 -1961.7131 -1484.8467 -288.9863 124.5225 73.6591 -238.0399 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 1 6 6 6 6 1 6 1 6 1 5 6 1 1 1 6 1 1 1 7 1 1 9 9 0.000916933 -0.000065879 -0.000015628 0.001308734 -0.000162460 0.000127240 -0.000210699 -0.000703752 0.000179356 0.000769080 0.000732580 -0.000216584 -0.001770060 -0.001699939 -0.000981102 0.000031019 -0.000852686 0.000056035 -0.000625469 0.001491097 -0.000362618 0.000494053 0.000691659 -0.000204689 0.000648319 0.000584511 0.000430336 -0.000437251 0.000928343 -0.000128224 -0.000047187 -0.007503551 0.005750568 0.000352947 -0.000082447 -0.000034574 0.000346959 -0.001079589 0.000001399 -0.000736774 -0.000003722 -0.000025648 0.000022500 0.000575988 0.000262253 -0.000029665 -0.000142563 0.000293802 -0.000008864 0.000742846 0.000002364 -0.000725867 -0.000096225 -0.000082179 0.000381651 -0.000221612 -0.000477212 -0.000255948 -0.000204759 -0.000025858 -0.000286446 0.002698060 -0.001036358 -0.000874152 -0.002792986 -0.000497679 0.001599521 0.001925792 -0.003757885 -0.000863333 0.005241294 0.000742885 0.007503551 0.001569975 8 -591.415602474 PT39773S 2021-04-14T15:09:57.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 H C C C C H C H C H B C H H H C H H H N H H F F 0.214624 -0.342611 0.129317 -0.302816 -0.626109 0.247677 -0.116022 0.234927 -0.137615 0.183880 0.212875 -0.420644 0.196811 0.188494 0.182882 -0.386099 0.163164 0.180486 0.213646 -0.033620 -0.027786 0.200365 -0.110765 -0.045060 -0.00000 -10.32018 -10.29986 -10.29904 -10.29586 -10.29406 -10.28016 -6.93614 -1.29700 -1.26747 -1.07320 -0.96345 -0.86282 -0.85780 -0.83129 -0.76602 -0.72620 -0.68705 -0.65539 -0.62796 -0.61962 -0.58563 -0.58008 -0.57036 -0.55904 -0.55159 -0.53821 -0.52791 -0.50316 -0.49939 -0.49225 -0.48953 -0.48090 -0.47121 -0.46909 -0.46052 -0.43784 -0.41577 -0.34834 -0.33948 -0.32568 0.03654 0.03975 0.04509 0.04852 0.05635 0.05819 0.06884 0.07196 0.07843 0.08661 0.09338 0.09526 0.09584 0.10958 0.11530 0.11979 0.12983 0.13224 0.13468 0.14703 0.15135 0.15574 0.16077 0.16883 0.17134 0.17767 0.17898 0.18418 0.18606 0.18941 0.19139 0.19656 0.20031 0.20381 0.20729 0.20850 0.21408 0.22104 0.22836 0.22941 0.23606 0.24013 0.24811 0.24920 0.25749 0.26004 0.26611 0.27664 0.27746 0.28467 0.28955 0.29294 0.30049 0.30593 0.31468 0.31916 0.32678 0.33391 0.34028 0.34308 0.35665 0.36012 0.36319 0.37088 0.38152 0.38581 0.39356 0.39583 0.39871 0.41127 0.42216 0.42819 0.44543 0.45482 0.45859 0.46630 0.47022 0.47648 0.48754 0.50246 0.51768 0.53791 0.54270 0.56018 0.57171 0.58076 0.58825 0.59744 0.60997 0.62050 0.62964 0.63408 0.64341 0.64992 0.65854 0.66133 0.66858 0.67501 0.68640 0.70532 0.70707 0.71837 0.72313 0.73208 0.74228 0.74646 0.75585 0.76796 0.77342 0.78489 0.79083 0.80756 0.82199 0.83683 0.84400 0.85355 0.86720 0.88029 0.89519 0.91332 0.93098 0.94168 0.95004 0.95873 0.97791 0.98049 0.99181 0.99879 1.02498 1.03568 1.05325 1.06668 1.08722 1.10281 1.12768 1.14115 1.14371 1.17109 1.18722 1.20447 1.22225 1.26260 1.29847 1.33131 1.37034 1.37908 1.39229 1.41271 1.42442 1.44572 1.47466 1.49312 1.51836 1.52848 1.53436 1.54302 1.55266 1.56984 1.58305 1.59095 1.60470 1.61435 1.62598 1.63168 1.64796 1.65322 1.65735 1.67943 1.68562 1.70248 1.71954 1.73282 1.73677 1.75408 1.76561 1.78460 1.79289 1.79729 1.82735 1.83240 1.84524 1.87043 1.91277 1.92970 1.93212 1.95816 1.98648 2.00828 2.01250 2.02044 2.03735 2.05762 2.06117 2.08657 2.08852 2.10138 2.12146 2.15066 2.16809 2.17248 2.18013 2.19422 2.22184 2.26409 2.26951 2.29319 2.34174 2.36003 2.38248 2.39915 2.46803 2.49734 2.51831 2.52861 2.54569 2.54792 2.56217 2.57715 2.60551 2.61521 2.62659 2.64640 2.68168 2.69632 2.70879 2.71890 2.75127 2.76298 2.76835 2.79215 2.80381 2.81421 2.82947 2.84782 2.85411 2.86318 2.88201 2.89937 2.92294 2.93794 2.96356 2.97884 3.01417 3.05634 3.08078 3.11511 3.13093 3.16332 3.19771 3.24067 3.29941 3.31752 3.46534 3.49664 3.52685 3.56543 3.64429 3.66306 3.68242 3.76360 3.85654 3.87880 3.88522 3.89920 3.90944 3.91436 3.93924 3.94450 4.01414 4.02956 4.10099 4.14388 4.15953 4.18563 4.22325 4.27580 4.34871 4.53385 4.56643 4.73433 4.92056 4.95528 5.02898 6.44613 6.50372 6.51994 6.54394 6.61395 6.74636 14.75682 23.73029 24.07326 24.07658 24.09697 24.10378 24.21081 24.23208 24.32752 35.69205 66.97721 67.02026 41 42 43 44 45 46 47 48 49 50 O|O|O|O|O|V|V|V|V|V -0.43784 -0.41577 -0.34834 -0.33948 -0.32568 0.03654 0.03975 0.04509 0.04852 0.05635 -0.08931 -0.03232 0.00900 0.00130 0.00625 -0.00050 -0.00076 -0.00050 -0.00036 -0.00094 -0.13597 -0.05074 0.01546 0.00215 0.01182 0.00625 0.00378 -0.00178 0.03957 -0.01397 -0.04886 -0.01973 0.00987 0.00127 0.00920 -0.11873 -0.07881 0.00640 -0.60159 0.29215 0.00029 0.01729 0.01357 0.00343 0.01808 -0.25277 -0.35128 0.03699 -3.40328 1.88202 -0.00589 -0.00149 0.00030 0.00006 -0.00001 0.00370 0.00179 0.00024 0.01073 -0.00247 -0.00252 0.00496 0.00076 0.00063 -0.00292 -0.00065 0.00100 0.00423 -0.00058 0.00133 0.00095 -0.00022 0.00850 0.00378 -0.00774 -0.00055 0.00420 0.01770 -0.00047 -0.00007 -0.00171 -0.00663 0.00177 0.00036 0.00147 -0.00376 -0.00224 -0.00025 -0.00870 0.00279 -0.00274 -0.01056 0.00284 0.00059 0.00236 -0.00602 -0.00362 -0.00042 -0.01399 0.00442 0.08635 0.04991 -0.01041 -0.00125 -0.01021 -0.00983 -0.00248 0.00280 -0.02828 0.00851 -0.06474 0.07370 0.00640 0.00754 -0.03770 -0.00273 0.01013 0.03162 0.00440 0.00153 0.01708 -0.00545 0.10377 0.04511 -0.09086 -0.00501 0.03435 0.13703 -0.00416 0.00842 0.01121 0.03195 -0.00881 -0.00192 -0.00751 0.01824 0.01067 0.00114 0.03936 -0.01009 0.12318 0.07029 -0.01449 -0.00165 -0.01454 -0.01714 -0.00276 0.00510 -0.03580 0.00846 -0.09198 0.10229 0.01450 0.01278 -0.05676 -0.00246 0.01601 0.04915 0.00606 0.00439 0.02501 -0.00510 0.16555 0.07235 -0.14654 -0.00788 0.05279 0.21259 -0.00673 0.01073 -0.01357 0.02092 -0.00285 0.00248 0.00254 0.10331 0.04607 0.02530 0.26038 -0.08462 0.09990 0.05391 -0.00908 0.00014 -0.00561 0.00732 0.00068 0.01551 -0.05456 0.07062 -0.05800 0.07318 0.01206 0.01331 -0.05200 0.00869 0.03313 0.09398 0.01874 0.00937 0.01550 -0.00117 0.14667 0.06388 -0.13618 -0.02015 0.09449 0.36622 -0.01262 0.02141 -0.04699 0.20556 0.07919 0.09623 0.12189 8.14155 2.13208 -0.17029 8.60880 -1.66617 0.00870 0.06060 0.03908 0.02905 0.06895 0.90653 0.03751 0.02177 -1.69245 2.05025 0.01590 -0.01921 -0.00629 0.01798 0.05303 0.04167 0.45998 0.17477 2.42003 2.21815 -0.00570 0.00538 0.01109 0.00502 -0.03202 -0.09235 0.02042 0.46047 -0.61471 -0.52052 0.00130 0.00118 -0.00330 0.00894 0.00076 0.00009 -0.01311 0.00383 0.00140 0.00088 0.00163 -0.00024 0.00777 0.00016 -0.00493 -0.00091 0.00116 -0.01216 -0.00090 0.00054 -0.00553 -0.00090 0.00728 -0.02106 -0.00221 -0.00549 0.03019 -0.00810 -0.00839 -0.00098 -0.02558 -0.00506 0.00100 0.00547 0.00207 -0.00260 -0.00893 0.00157 -0.00792 0.00221 -0.00384 0.00680 -0.00040 -0.00074 -0.00343 0.00312 0.00163 -0.00306 0.00226 0.00206 0.00235 0.00483 -0.00108 0.00006 -0.00071 -0.00528 0.00041 0.00192 -0.00396 0.00290 0.00384 0.00782 -0.00171 0.00013 -0.00113 -0.00850 0.00063 0.00309 -0.00655 0.00453 -0.09966 -0.06136 0.01654 0.00044 0.00912 0.00158 -0.00191 -0.00442 -0.00924 0.00408 0.06184 -0.06087 0.03416 -0.01872 -0.00101 0.00056 0.02312 -0.02511 0.00812 -0.01307 -0.00883 0.02427 0.09244 -0.09365 -0.06263 -0.01359 0.10409 -0.10278 -0.02300 -0.00065 -0.01489 -0.02164 0.00481 -0.00089 0.00285 0.02374 0.00011 -0.00865 0.02440 -0.00789 -0.14338 -0.08939 0.02353 0.00008 0.01266 0.00325 -0.00121 -0.00620 -0.01000 0.00315 0.08897 -0.08567 0.05190 -0.03089 -0.00417 -0.00038 0.03462 -0.03837 0.01111 -0.01480 -0.01231 0.03609 0.14891 -0.15029 -0.09989 -0.02162 0.16164 -0.15957 -0.03512 0.00049 0.01946 -0.01933 -0.00590 -0.00593 -0.01112 0.14208 -0.04340 -0.03711 0.01812 -0.20017 -0.09342 -0.03881 0.00748 -0.00050 -0.00142 0.06138 -0.01648 -0.00189 -0.01481 -0.02809 0.07945 -0.06317 0.04932 -0.02261 0.00375 0.05555 0.07977 -0.04232 0.05952 -0.03063 -0.01254 0.02450 0.12923 -0.13456 -0.09042 -0.04482 0.27040 -0.27880 -0.06929 -0.00676 0.15166 -0.14068 -0.33710 -0.30483 -0.58680 1.19998 -1.75102 -0.49802 2.74500 -3.97241 0.03132 -0.02552 -0.08432 -0.03836 -0.07096 1.29744 0.37364 -0.03088 3.99333 1.28844 0.02823 0.03493 0.02980 0.01574 0.06085 1.94645 0.78127 -0.18668 2.88292 -1.02408 -0.00644 -0.00793 0.02685 -0.03268 -0.02213 -0.45981 0.15291 -0.33353 -0.73075 0.05743 0.00094 0.00097 0.00372 0.00141 -0.00334 -0.00224 0.00141 0.00752 -0.00100 0.00220 0.00258 -0.00561 -0.00442 -0.01876 0.01302 0.00332 -0.02466 -0.01922 0.00361 0.00239 -0.00513 -0.00164 -0.00853 -0.00183 0.00755 0.00039 -0.00211 -0.01655 0.00096 -0.00200 -0.02343 0.00070 0.00102 -0.00020 -0.00323 0.00222 0.00122 0.00353 0.00677 -0.00190 -0.01055 0.02333 -0.00948 -0.00559 -0.00545 -0.00006 -0.00425 -0.00474 0.00312 -0.00174 -0.00431 -0.00211 -0.00207 -0.00057 -0.00259 -0.00549 -0.00219 -0.00065 -0.00863 -0.00223 -0.00684 -0.00334 -0.00336 -0.00092 -0.00423 -0.00878 -0.00354 -0.00109 -0.01406 -0.00353 -0.07710 -0.00462 0.01549 0.00449 0.01430 -0.01249 -0.00459 0.00022 -0.01295 -0.00504 0.07509 -0.03868 0.01148 0.03413 0.00224 -0.00920 -0.03777 -0.00737 -0.01404 -0.00473 -0.01449 0.01791 0.00879 0.13842 -0.02807 0.02152 -0.13665 -0.03062 0.02808 0.01082 0.01952 0.00852 0.01019 0.00267 0.01333 0.02403 0.01059 0.00406 0.04501 0.00839 -0.10917 -0.00665 0.02269 0.00715 0.02128 -0.01447 -0.00505 0.00053 -0.01320 -0.01028 0.10611 -0.05418 0.01671 0.05447 0.00185 -0.00863 -0.05728 -0.01103 -0.01978 -0.00408 -0.01995 0.02695 0.01443 0.22231 -0.04454 0.03201 -0.21228 -0.04857 0.04237 0.01398 0.03237 0.01162 -0.00023 0.00509 -0.00699 0.17311 0.06728 -0.00926 0.14505 0.00795 -0.05693 -0.01947 0.02098 0.00629 0.01398 -0.02288 -0.00491 -0.01076 -0.04786 -0.05974 0.06284 -0.04648 0.01576 0.04871 0.00061 -0.05472 -0.10342 -0.02440 -0.08188 -0.02649 -0.01152 0.02144 0.01293 0.19740 -0.04168 0.06782 -0.37114 -0.07470 0.08816 0.04441 -0.08230 -0.17238 -0.04632 -0.12542 -0.16482 3.50056 1.63759 0.33332 1.81821 -3.88826 -0.04022 -0.02338 -0.01035 -0.04189 -0.08866 0.31789 -0.10513 -0.04500 -1.49095 -4.12991 0.03124 -0.05150 0.00664 0.00487 0.06395 -3.14355 -0.65769 -0.03700 -2.19704 0.86162 -0.00341 0.01349 0.00770 0.02778 -0.02525 0.88875 -0.31201 -0.10014 0.76920 -0.18809 0.00080 0.00031 -0.00453 -0.00154 0.00405 -0.00237 -0.00218 -0.00832 -0.00045 -0.00058 0.00117 -0.00349 -0.01275 0.00884 0.01417 -0.00008 0.01366 -0.02520 -0.00168 0.00113 -0.00277 0.00023 0.01115 0.00323 -0.00976 -0.00117 0.00390 0.02136 0.00078 0.00172 -0.01412 -0.00487 -0.00149 -0.00040 0.00365 0.00260 -0.00041 -0.00597 0.00438 -0.00191 -0.00424 0.01419 -0.00998 0.00096 -0.00400 -0.00606 0.00084 -0.00661 -0.00756 -0.00174 -0.00000 -0.01602 0.00174 0.00063 0.00115 -0.00152 -0.00190 -0.00040 -0.00317 0.00011 0.00003 -0.02555 0.00292 0.00103 0.00196 -0.00267 -0.00315 -0.00064 -0.00534 0.00018 0.11004 0.08773 -0.01852 -0.00586 -0.01262 -0.00223 0.00027 0.00006 0.00024 -0.00121 -0.05111 0.11631 -0.04598 -0.04142 -0.03933 -0.00010 -0.02920 -0.01339 0.00471 -0.00241 0.00986 -0.02170 0.01408 -0.13835 0.05000 0.01755 -0.13119 -0.03988 0.02308 0.01100 -0.00083 0.06563 -0.00696 -0.00217 -0.00391 0.01474 0.01109 0.00167 0.02160 -0.00343 0.15468 0.12307 -0.02565 -0.00792 -0.01692 -0.00522 0.00169 -0.00004 0.00188 -0.00025 -0.07099 0.16646 -0.06353 -0.06439 -0.05124 -0.00124 -0.04625 -0.01843 0.00557 -0.00209 0.01360 -0.03088 0.01977 -0.22351 0.07858 0.02832 -0.20441 -0.06009 0.03800 0.02359 -0.03208 0.11692 -0.02073 -0.00846 -0.02534 -0.02738 0.02373 0.00446 0.00151 0.17016 0.09262 0.10757 -0.04273 -0.01696 -0.04326 0.09724 -0.03274 0.00098 -0.00353 -0.05329 -0.04026 0.10170 -0.06340 -0.05879 -0.07084 -0.04486 -0.05240 -0.08317 0.01213 -0.05664 0.00866 -0.01311 0.02748 -0.20577 0.07055 0.05294 -0.35359 -0.12106 0.04858 -0.01505 -0.06145 -0.01106 0.10957 0.04188 0.17673 -4.43492 -0.52163 0.09046 -5.69875 0.21219 0.10208 -0.01780 -0.13617 -0.12706 -0.23251 3.34393 -0.30977 -0.21988 3.59549 -0.98549 -0.05206 0.01627 0.04884 0.06621 0.06408 -1.23377 -0.47982 -0.03951 -2.87892 0.24680 0.01079 0.00192 -0.05738 0.01374 0.00551 0.08345 -0.37947 -0.08627 0.62330 0.25338 0.00085 0.00283 -0.00441 -0.00297 0.00365 -0.00264 0.00252 0.00958 0.00151 0.00091 0.00102 -0.00406 -0.01327 0.00833 0.01177 0.00258 -0.01609 0.02468 0.00327 -0.00036 -0.00178 0.00190 0.01200 0.00567 -0.00714 0.00143 -0.00488 -0.02236 -0.00118 -0.00193 -0.01203 0.00065 0.00036 -0.00068 0.00546 0.00250 -0.00112 0.00381 -0.00310 0.00295 -0.00661 0.01504 -0.00740 0.00075 -0.00128 -0.00075 -0.00571 0.00452 -0.00256 0.00224 0.09065 -0.04471 0.01168 0.00135 0.01239 0.00041 -0.00145 -0.00091 -0.00172 -0.00119 0.13555 -0.06867 0.01928 0.00215 0.02044 -0.01068 -0.00072 -0.00694 0.00643 -0.01734 0.04535 -0.03438 0.01028 0.00108 0.00962 -0.09134 -0.04386 0.02405 -0.25659 0.26581 -0.00700 -0.01738 -0.01784 -0.00182 -0.02345 -1.08381 -0.19865 0.17597 -1.32479 1.89784 -0.00170 -0.00575 0.00155 0.00018 0.00089 -0.00027 0.00112 -0.00085 0.00307 -0.00181 -0.00670 0.00006 0.00223 -0.00137 -0.00049 -0.00141 0.00227 -0.00196 -0.00509 0.00297 0.00149 0.00077 0.00778 -0.00761 -0.00507 -0.00126 0.01303 -0.01331 -0.00170 -0.00224 0.00467 -0.00110 0.00640 0.00133 0.00713 -0.00938 -0.00156 0.00140 -0.00084 -0.00257 0.00753 -0.00184 0.01014 0.00210 0.01129 -0.01542 -0.00254 0.00224 -0.00157 -0.00401 0.06935 0.01935 -0.02864 -0.00427 -0.02693 0.01100 0.00275 -0.00374 -0.00208 0.00609 -0.05144 0.04784 -0.05242 0.01645 -0.01687 -0.02135 0.01545 -0.02950 -0.00705 -0.00958 0.01233 -0.01032 -0.08056 0.09343 0.07965 -0.00703 0.09689 -0.10213 -0.01962 0.00432 -0.02523 0.00812 -0.02857 -0.00572 -0.03270 0.05397 0.00780 -0.00667 0.01154 0.00755 0.09657 0.02446 -0.03935 -0.00585 -0.03571 0.01365 0.00269 -0.00444 -0.00120 0.01004 -0.07445 0.06881 -0.07512 0.02759 -0.01700 -0.02397 0.02515 -0.04350 -0.01353 -0.01145 0.01785 -0.01501 -0.13209 0.14843 0.12436 -0.00955 0.14824 -0.15830 -0.03194 0.01057 0.02821 -0.00826 -0.02666 -0.01077 -0.01162 0.02101 0.01271 -0.00631 0.00680 0.17107 0.09928 -0.00442 -0.03297 -0.00248 -0.03568 0.05113 0.03641 -0.02619 0.02666 -0.03700 -0.04847 0.05840 -0.06647 0.02475 -0.00934 -0.10678 0.02190 -0.08283 0.04640 0.03038 0.01161 -0.01052 -0.11516 0.14489 0.11611 -0.02014 0.28022 -0.29482 -0.06266 -0.04620 0.11856 -0.10586 -0.16035 -0.12135 -0.15499 -2.69321 -1.13696 -0.20630 0.52247 2.34838 -0.04872 -0.03453 -0.03513 -0.08128 -0.20028 5.01047 1.00421 0.07035 0.53076 -4.61715 -0.02197 -0.00872 -0.06880 -0.02675 -0.10420 -0.55926 -0.43684 -0.22284 0.50594 -2.07734 -0.00019 0.00528 -0.01936 0.03367 0.06073 -0.18653 0.35587 -0.41019 -0.46316 0.40316 0.00072 0.00033 0.00313 0.00151 -0.00452 -0.00003 -0.00188 -0.00880 -0.00061 -0.00125 0.00304 -0.00405 -0.00784 -0.01897 0.00871 -0.00461 0.02633 0.01725 -0.00536 -0.00073 -0.00381 0.00138 -0.00892 -0.00270 0.00651 -0.00044 0.00262 0.01799 0.00030 0.00303 -0.01571 0.00767 0.00221 0.00062 -0.00148 0.00269 0.00073 -0.00430 0.00060 0.00182 -0.01328 0.01043 -0.00444 -0.00495 0.00079 0.00421 0.00775 0.00520 0.00382 0.00131 -0.00911 0.04133 -0.01678 -0.00293 -0.01588 0.00016 -0.00029 -0.00122 -0.00032 0.00120 -0.01564 0.06353 -0.02644 -0.00474 -0.02567 0.01689 0.00798 -0.00209 0.02618 0.01767 -0.00236 0.02384 -0.01604 -0.00401 -0.01804 -0.39596 -0.13141 -0.02651 -0.52891 -0.25749 0.00748 -0.02153 -0.00718 -0.01081 -0.00159 -2.53879 -0.73418 -0.10399 -3.13661 -1.78722 -0.00591 0.00233 0.00023 0.00017 0.00048 0.00213 0.00123 0.00043 0.00667 0.00086 0.00314 0.00091 -0.00020 0.00267 -0.00081 0.00596 -0.00213 -0.00087 0.00732 0.00268 -0.00050 0.00048 0.00102 0.01175 -0.00213 0.00089 -0.01808 -0.00454 0.00139 -0.00128 -0.00386 0.00331 -0.00407 -0.00155 -0.00447 -0.00182 -0.00135 -0.00073 -0.00201 0.00201 -0.00611 0.00536 -0.00660 -0.00250 -0.00717 -0.00336 -0.00216 -0.00118 -0.00337 0.00346 -0.05393 0.00981 0.02020 0.00441 0.02446 0.00291 0.00252 0.00290 -0.00597 0.00094 0.06708 -0.07687 0.00454 -0.00761 0.04893 -0.00357 0.01239 0.03830 0.00175 0.00413 -0.01831 0.00922 -0.11362 -0.05818 0.07694 -0.00942 0.04016 0.15323 -0.00136 0.01626 0.01467 -0.01847 0.01916 0.00665 0.01832 0.02159 0.00489 0.00396 0.01595 -0.01187 -0.08269 0.01679 0.03159 0.00697 0.03969 0.00367 0.00676 0.00528 -0.01442 -0.00805 0.09467 -0.10930 0.00324 -0.01287 0.07416 0.00180 0.02004 0.06061 0.00141 0.00772 -0.02623 0.01118 -0.18211 -0.09292 0.12423 -0.01365 0.06635 0.23861 -0.00093 0.02076 0.02739 0.01143 0.02755 0.02469 0.05475 -0.11805 0.06470 -0.02213 -0.12703 -0.10110 -0.03089 0.05286 0.03298 0.00747 0.06497 -0.05084 -0.00684 0.01475 0.01079 0.12536 0.10669 -0.09870 0.00147 -0.01471 0.07541 -0.10188 0.02225 0.08414 0.06020 -0.00037 -0.02859 0.01135 -0.16803 -0.08891 0.12694 -0.01701 0.10204 0.42353 -0.02397 0.12219 -0.09270 0.33324 0.39736 0.41460 0.90447 -6.75128 0.17660 -0.01598 -3.88359 8.99287 -0.04969 -0.01480 -0.00941 -0.02003 0.17035 -7.27963 -1.44022 -0.12181 -4.46587 2.56720 0.00915 -0.03599 0.02189 -0.06403 -0.05919 1.43691 0.34052 0.21197 0.11738 -2.18914 0.00584 -0.00740 0.03396 -0.05181 -0.00129 0.19485 0.21468 0.55530 0.18525 0.71441 0.00381 0.00011 -0.00438 0.00924 0.00140 -0.00376 0.01361 -0.00196 -0.00028 -0.00043 0.00014 -0.00483 0.00611 0.00026 -0.00620 -0.00024 0.00011 0.01601 0.00037 -0.00169 -0.00603 -0.00254 0.00850 -0.02278 -0.00101 0.00207 -0.03223 0.00861 0.00618 0.00090 -0.02669 -0.00940 0.00082 0.00592 0.00289 -0.00421 0.00597 -0.00207 -0.00391 -0.00151 -0.00130 0.00532 -0.01983 -0.00493 -0.02753 0.00266 -0.00289 0.00044 -0.00218 -0.00193 0.07102 -0.04127 0.00940 0.00098 0.00925 0.00182 -0.00046 0.00084 -0.00347 -0.00019 0.10576 -0.06120 0.01780 0.00133 0.01811 0.02296 0.00114 0.00397 -0.00662 0.02496 0.04829 -0.02715 -0.00098 0.00245 0.00118 -0.38628 -0.11912 -0.01734 0.05783 -0.15631 -0.01431 0.00558 -0.00698 0.00756 -0.01714 -1.53935 -0.65012 -0.05498 -0.19909 -1.24188 0.00082 0.00278 -0.00223 -0.00025 -0.00223 -0.00349 -0.00013 -0.00049 0.00039 -0.00004 0.00434 -0.00012 -0.00142 0.00186 0.00206 0.00913 0.00511 -0.00327 0.00085 0.00480 -0.00101 -0.00008 -0.00759 0.00765 0.00569 -0.00288 0.01175 -0.01487 -0.00351 -0.00320 -0.00362 -0.03166 0.00396 0.00156 0.00097 -0.00037 0.00415 0.00066 0.00364 -0.00248 -0.00561 -0.04845 0.00607 0.00247 0.00137 -0.00072 0.00682 0.00138 0.00589 -0.00446 -0.00227 -0.04672 0.03814 0.00506 0.04382 0.01357 -0.01841 -0.00634 -0.00933 0.00440 -0.00851 -0.08961 0.01448 0.00405 0.00991 -0.00261 0.00279 0.00353 0.00606 0.00248 0.00423 0.02981 0.01093 -0.00537 0.01910 0.01286 -0.04658 -0.01341 -0.00335 -0.00186 0.01325 0.12566 -0.01847 -0.00771 -0.00716 0.00200 -0.02128 -0.01409 -0.01507 0.01726 -0.00353 -0.06684 0.06036 0.00739 0.06975 0.02422 -0.03297 -0.01302 -0.01571 0.01617 -0.01442 -0.12832 0.01887 0.00507 0.01147 -0.00877 0.00546 0.00684 0.00271 -0.01247 0.00719 0.04377 0.01933 -0.00728 0.03288 0.02104 -0.07754 -0.02202 -0.00462 -0.00276 0.03425 0.16151 0.01768 0.02092 0.10106 0.03721 -0.09226 0.22829 -0.09503 0.17986 -0.00489 0.00006 0.02881 -0.00090 0.01865 -0.02354 -0.00993 -0.06216 -0.12221 -0.12553 -0.00162 -0.06715 -0.01499 0.01535 0.00402 0.06428 -0.04016 0.05418 0.05840 0.28434 -0.00658 -0.00254 0.00368 0.01349 0.03783 0.05824 -0.14359 -0.00186 0.07232 0.11745 -0.00436 0.02437 -0.01991 0.02090 -0.03705 1.30313 0.40620 0.04878 0.84082 -0.90186 -0.00013 0.00980 -0.00836 0.00733 -0.01052 -0.03804 0.15582 -0.08130 0.01213 0.06897 0.00532 0.00460 0.01173 -0.01497 0.00802 -0.35105 -0.04010 -0.05525 -0.25696 0.27716 -0.00151 0.00056 0.00590 -0.00797 -0.00956 0.15745 0.06338 -0.05975 -0.01743 -0.38197 -0.00300 -0.02307 0.00482 -0.01050 0.00856 -0.00067 -0.02052 -0.00157 0.00298 0.00259 -0.00207 0.00833 0.01186 0.01639 0.01202 -0.00140 0.01692 0.01281 -0.00617 -0.00109 -0.00394 -0.02597 -0.00348 0.01431 -0.00982 -0.00373 0.02562 0.00369 -0.00301 -0.00038 -0.01258 -0.00351 0.00856 -0.00047 0.01224 0.00142 -0.00709 0.00252 0.00034 0.00176 0.00453 0.03420 -0.01155 -0.00367 -0.01050 -0.00299 0.00009 0.00207 0.00303 -0.00071 -0.00234 -0.00254 0.00358 0.00327 -0.00898 -0.01169 -0.00256 -0.01434 0.00691 0.01357 -0.00382 -0.00412 0.00590 0.00536 -0.01458 -0.01874 -0.00418 -0.02367 0.01106 0.02146 -0.03798 0.00462 0.03016 0.01322 -0.01163 0.01023 -0.00837 -0.01211 -0.01492 -0.00923 0.01640 0.03800 0.02489 -0.00621 0.03695 -0.01173 -0.01622 0.01587 0.00871 0.00384 0.00495 0.00894 -0.00679 -0.00582 0.02718 -0.01008 0.01035 0.03037 0.00219 0.01526 0.01271 0.01255 -0.01929 -0.01618 0.04309 0.05025 0.01355 0.06995 -0.02928 -0.04818 -0.05477 0.00449 0.04490 0.02045 -0.02289 0.02195 -0.01331 -0.01853 -0.02499 -0.02266 0.02430 0.05660 0.03434 -0.01054 0.05373 -0.02057 -0.02748 0.02528 0.01000 0.01139 0.00985 0.01479 -0.01343 -0.01107 0.04548 -0.01739 0.01672 0.05417 0.00628 0.03879 0.00325 0.01566 -0.03462 -0.03501 0.06941 0.27005 0.01592 0.26363 -0.18521 -0.42143 -0.04834 0.00691 0.03313 0.01911 -0.00824 -0.01623 0.00290 -0.03686 -0.01482 0.09232 0.02285 0.05329 0.04296 -0.01084 0.06301 -0.00598 -0.03808 0.06659 0.07285 -0.05271 -0.00575 0.00575 -0.01594 -0.00948 0.03673 0.01791 0.04574 0.12466 -0.02530 -0.11528 0.02188 -0.01703 -0.02271 -0.07675 -0.05745 4.95577 0.55414 1.28632 -1.29594 -8.42010 -0.01181 0.01455 -0.00415 0.02862 0.04007 -0.72977 -0.20160 -0.00352 -0.37867 0.16015 0.01018 0.00691 0.01098 -0.01455 0.02125 -0.09093 -0.32852 0.21620 0.16924 0.01592 -0.00305 -0.00396 0.00298 -0.00246 -0.00240 0.04166 0.08784 0.21877 -0.26978 -0.50168 0.00834 0.00420 -0.00106 -0.00205 0.00796 0.00127 0.00127 0.00654 0.00088 -0.00159 0.00265 -0.00246 -0.00309 0.00004 -0.00809 -0.00035 0.00095 0.00124 0.00089 0.00023 -0.00173 -0.00655 -0.01182 -0.00265 -0.01283 0.00140 -0.00128 -0.00352 -0.00022 0.00156 -0.00472 0.00714 0.01358 0.00329 0.01003 0.00013 -0.00248 -0.00635 0.00044 -0.00024 -0.00085 -0.00128 0.00090 0.00039 -0.00085 -0.00091 -0.00150 0.00168 0.00057 0.00160 0.02315 0.01753 0.00982 -0.00396 0.02001 -0.00500 -0.00122 0.01064 0.00482 -0.00390 0.03419 0.02430 0.01522 -0.00243 0.03117 -0.00045 0.01005 0.01315 -0.00536 -0.01835 0.00702 0.01927 0.01989 0.01101 0.02730 -0.23348 0.05428 0.00889 0.18169 0.20307 -0.01437 -0.00424 0.00754 0.01998 0.00659 -1.19081 0.12849 -0.10371 -0.40394 1.72464 -0.00141 0.00120 0.00151 -0.00078 0.00110 0.00203 -0.00313 0.00163 -0.00124 -0.00223 -0.00118 0.00002 0.00146 0.00044 0.00074 -0.00240 0.00109 0.00073 0.00030 0.00260 0.00255 0.00198 -0.00009 -0.00058 0.00262 0.00063 0.00090 0.00151 -0.00027 -0.00278 -0.03393 0.01266 0.03497 0.01093 0.00855 0.00141 -0.00711 -0.01082 -0.00356 -0.00073 -0.05173 0.02087 0.06160 0.02098 0.01424 0.00651 -0.01558 -0.03695 -0.00968 -0.02730 -0.02085 0.01021 0.05041 0.01431 0.01510 -0.15666 -0.02225 -0.09579 0.13982 0.32814 0.00004 -0.01091 0.01322 -0.01568 -0.03373 -0.37484 0.17015 -0.57527 1.03727 2.05284 0.00198 -0.00134 -0.00143 -0.00020 -0.00158 -0.00555 0.00039 -0.00387 0.00563 0.00606 0.00148 0.00195 0.00125 -0.00041 0.00205 -0.00162 -0.00102 0.00114 0.00043 0.00210 -0.00024 0.00054 -0.00042 -0.00020 0.00172 -0.00167 0.00176 0.00275 0.00033 0.00190 -0.00455 -0.03902 -0.04087 -0.00268 -0.04355 0.00293 0.00710 -0.00369 -0.00109 0.00218 -0.00528 -0.06024 -0.06820 -0.00422 -0.07639 0.01601 0.01873 -0.00830 -0.00132 -0.00447 -0.00092 -0.02468 -0.04675 -0.00380 -0.06342 -0.17881 -0.02315 -0.03570 0.22553 0.23848 0.00804 0.00058 0.00408 -0.00035 0.01572 -1.33476 -0.57949 0.05950 0.57033 2.12058 -0.00275 -0.00089 0.00027 0.00117 -0.00086 0.00212 0.00268 -0.00173 -0.00149 -0.00250 0.00062 -0.00169 -0.00242 -0.00005 -0.00054 0.00652 0.00328 -0.00011 -0.00222 -0.00440 0.00023 -0.00079 -0.00146 -0.00032 0.00027 0.00060 0.00144 0.00293 -0.00030 -0.00075 -0.00291 -0.00310 -0.00775 -0.00188 -0.00058 -0.01741 0.00306 0.00782 0.00918 -0.00835 -0.00476 -0.00499 -0.01263 -0.00305 -0.00081 -0.02810 0.00533 0.01305 0.01467 -0.01316 -0.03395 0.00351 -0.01367 -0.00383 0.01881 0.00829 -0.00261 0.01244 -0.01544 -0.00847 0.03584 0.03222 0.03853 0.01180 0.02864 -0.01384 -0.00796 -0.01737 0.00418 -0.00347 -0.01325 0.00135 -0.01158 -0.00923 -0.00081 0.00966 -0.00664 0.01322 -0.00198 0.01671 0.01527 0.01517 0.04058 0.00772 -0.00062 0.07928 -0.03056 -0.04082 -0.03504 0.02676 -0.04921 0.00391 -0.02475 -0.00712 0.02690 0.01387 -0.00272 0.01900 -0.02889 -0.01056 0.05459 0.04731 0.05753 0.01844 0.03935 -0.02151 -0.01345 -0.03155 0.00659 -0.01096 -0.02262 0.00077 -0.02101 -0.01477 -0.00222 0.02154 -0.00832 0.02382 -0.00921 0.03228 0.00881 0.00899 0.01647 0.03653 0.00713 0.34993 0.11078 -0.13153 -0.28577 0.34681 -0.04964 0.01084 0.00096 -0.01500 0.01774 0.02191 -0.08862 0.06154 0.02983 -0.05263 0.04090 0.03996 0.05657 0.02050 0.04639 -0.01561 -0.00732 -0.05367 0.01121 0.08538 -0.00710 0.00865 0.00403 -0.01856 0.00176 -0.05845 -0.06691 0.03210 0.06259 -0.05774 0.01249 -0.00118 -0.02817 0.03210 -0.08351 6.26591 0.15654 -0.26868 -1.40928 5.61523 -0.01233 0.00371 0.00644 -0.01691 0.00883 -0.00147 -0.14500 0.03239 -0.71603 -0.77511 0.01106 -0.00467 -0.00862 -0.00330 0.00054 0.31260 -0.09723 0.00665 0.32382 0.25761 0.00545 -0.00047 0.01788 -0.00731 0.01004 -0.46925 -0.01492 0.02323 -0.04410 -0.25832 0.00811 0.00609 0.00780 0.00097 0.00911 0.00149 -0.00130 0.00048 0.00004 0.00001 -0.00128 0.00220 0.00623 0.00195 0.00579 -0.00005 -0.00024 0.00178 -0.00020 0.00008 -0.00388 0.00088 0.00180 -0.00035 0.00598 -0.00183 0.00089 0.00319 -0.00034 -0.00054 -0.00282 0.00886 0.00907 0.00225 0.01894 -0.00073 0.00582 0.00526 -0.00139 0.00250 -0.00054 -0.00064 -0.00175 -0.00049 -0.00007 -0.00026 0.00013 -0.00343 0.00087 -0.00004 -0.02012 -0.03423 -0.03446 -0.00909 -0.04577 0.00149 -0.00377 -0.00097 0.00247 -0.00293 -0.03006 -0.05378 -0.05173 -0.01865 -0.08218 0.01547 -0.03902 -0.00214 0.00993 0.00895 -0.00877 -0.03440 -0.05562 -0.00725 -0.06290 -0.33610 0.00828 -0.01668 0.17491 -0.28405 0.01509 -0.01180 -0.01278 -0.01386 0.00660 -1.19563 -0.24216 0.00258 1.08609 -1.02717 -0.00373 0.00020 -0.00151 -0.00040 0.00079 0.00091 0.00025 0.00222 -0.00089 0.00053 -0.00131 -0.00137 -0.00017 -0.00064 -0.00176 0.00858 -0.00090 0.00012 -0.00255 0.00322 -0.00114 0.00023 -0.00088 -0.00049 0.00020 0.00212 0.00066 0.00014 -0.00079 0.00079 -0.02606 0.01394 0.00583 0.00175 0.03267 -0.00132 0.00753 0.00792 -0.00628 -0.00118 -0.04013 0.02163 0.01003 0.00250 0.05823 0.00907 0.02322 0.01943 -0.01328 -0.00450 -0.01462 0.00553 0.00132 0.01097 0.05848 -0.38892 0.11670 0.01572 0.08813 -0.15468 -0.00137 0.00138 -0.00419 0.01182 0.01077 -1.65587 0.22450 0.20223 1.51103 -0.37640 0.00128 -0.00124 -0.00140 -0.00002 -0.00178 -0.00691 0.00328 0.00127 0.00595 0.00146 0.00242 0.00146 0.00221 0.00071 0.00109 -0.00199 0.00022 -0.00196 0.00132 -0.00111 0.00021 0.00004 -0.00112 -0.00062 0.00006 0.00136 -0.00032 0.00252 0.00013 0.00043 0.01736 0.01373 0.01449 -0.00048 0.00932 -0.00100 -0.00386 -0.00169 0.00294 0.00654 0.02431 0.02239 0.02436 -0.00499 0.01709 0.00878 -0.02328 0.01461 0.00654 0.03401 0.01060 0.00810 -0.00545 0.00566 0.02281 -0.19944 0.04439 0.00999 0.14126 -0.32543 -0.00983 0.00124 -0.00914 -0.00157 -0.00590 -0.83709 -0.06836 0.03317 0.10619 -2.03069 -0.00119 0.00101 0.00169 -0.00023 0.00033 0.00365 -0.00348 -0.00053 -0.00121 0.00165 0.00135 0.00127 0.00105 0.00030 0.00246 -0.00281 0.00009 0.00250 0.00132 -0.00208 -0.00267 -0.00139 -0.00243 0.00005 0.00007 -0.00410 0.00298 0.00058 -0.00015 -0.00569 0.00597 0.00874 0.01128 0.00342 0.01497 0.00296 0.00464 0.00346 -0.00059 -0.00093 0.00963 0.01409 0.01840 0.00558 0.02429 0.00494 0.00748 0.00563 -0.00107 -0.00150 0.07993 -0.00738 -0.04556 -0.01112 -0.05321 0.00021 -0.00513 -0.00709 0.00703 0.00237 -0.02713 -0.07899 -0.11264 -0.02363 -0.15179 0.01310 -0.01026 -0.01914 -0.00670 0.00355 0.00543 -0.01369 0.00715 0.00888 -0.04154 -0.00049 -0.00510 -0.00102 0.00080 -0.01819 -0.02865 -0.03799 -0.05235 -0.01634 -0.06507 -0.01628 -0.01896 -0.01488 0.00471 0.00425 0.11949 -0.01252 -0.06918 -0.01692 -0.08042 0.00051 -0.00722 -0.00961 0.01606 0.00633 -0.04010 -0.12055 -0.16905 -0.03597 -0.22866 0.02210 -0.01732 -0.02729 -0.00940 0.00357 0.00825 -0.02119 0.01105 0.01507 -0.06425 -0.00110 -0.00396 -0.00613 0.00069 -0.02895 -0.04587 -0.08542 -0.09659 -0.03215 -0.15830 -0.04540 -0.10112 -0.05368 -0.01741 -0.00517 0.10498 0.00101 -0.06466 -0.01532 -0.07900 -0.03163 -0.02126 -0.02906 -0.01754 0.00884 -0.04111 -0.12934 -0.20576 -0.03591 -0.27722 0.04433 0.00446 -0.05027 -0.04018 0.02098 0.00194 -0.01949 -0.00055 -0.00642 -0.05810 -0.00076 -0.04754 0.07013 0.01667 -0.10340 -0.02426 -0.14244 -0.06600 -0.04796 -0.37205 1.09729 0.26961 -0.34973 2.56560 -1.56625 0.02121 0.03727 -0.00468 0.00587 0.01348 -0.69288 -0.01672 -0.15846 0.24320 0.27076 -0.04757 -0.03070 -0.11250 0.01882 -0.13021 0.55738 0.25869 -0.12815 -0.66475 0.16623 0.00220 0.01843 0.01751 -0.02403 -0.01540 0.02121 -0.12062 0.15702 0.01954 -1.66866 0.00593 0.00153 -0.00167 -0.00140 0.00056 -0.00101 -0.00071 0.00124 -0.00006 0.00076 0.00178 -0.00016 0.00988 0.00532 -0.00595 0.00104 -0.00490 -0.02064 0.00006 -0.00116 -0.00229 -0.00172 -0.00325 -0.00214 0.00270 -0.00062 -0.00075 0.00590 0.00084 -0.00040 -0.00407 0.00222 -0.00028 -0.00043 0.00023 0.00035 -0.00088 -0.00025 -0.00016 -0.00023 -0.00552 0.00438 0.00297 0.00139 -0.00036 -0.00206 -0.00011 -0.00368 0.00199 0.00064 -0.02145 -0.00255 0.06961 0.02930 0.07508 0.00246 0.01399 0.00776 -0.00477 -0.00194 -0.03892 -0.00911 0.13210 0.05527 0.14108 -0.00488 0.03811 0.00736 -0.00622 -0.01177 -0.01833 -0.00050 0.09232 0.03273 0.10385 0.02409 0.11123 0.03210 -0.01322 -0.00189 -0.01443 -0.01991 -0.03224 0.00519 0.01542 -1.14995 -0.42082 0.46164 0.27803 1.03600 -0.00020 -0.00313 -0.00246 0.00093 -0.00392 -0.00298 0.00825 0.00181 0.00146 0.00077 0.00343 0.00416 -0.00062 -0.00259 0.00251 -0.00010 -0.00276 0.00129 -0.00125 0.00187 0.00062 0.00024 -0.00247 -0.00164 -0.00188 -0.00167 -0.00244 0.00258 0.00086 -0.00294 -0.02321 -0.03077 0.01598 0.01700 -0.00020 0.00445 0.01609 -0.00422 0.00112 -0.00359 -0.03867 -0.04233 0.03034 0.02630 0.00732 0.02134 0.02465 -0.00670 -0.02792 -0.00575 -0.00850 -0.03109 0.07069 0.03776 0.08572 -0.09570 0.02181 0.08761 0.37649 0.14549 0.01860 0.01312 0.10294 0.01332 0.05791 1.01418 0.74335 -0.48156 -0.42817 -1.15899 0.00054 -0.00225 0.00200 0.00254 -0.00019 -0.00391 0.00800 -0.00204 0.00261 -0.00078 -0.00064 0.00808 0.01865 0.00504 0.02498 0.00100 0.00187 0.00351 -0.00238 0.00127 0.00029 0.00012 0.00278 -0.00008 0.00351 -0.00185 -0.00177 0.00225 0.00033 -0.00192 0.00030 0.00284 0.00077 0.00252 0.00044 -0.00287 0.00679 0.00211 -0.00128 0.00477 0.00049 0.00477 0.00128 0.00417 0.00073 -0.00479 0.01134 0.00354 -0.00220 0.00796 0.01028 0.05710 -0.03752 0.01573 -0.03904 -0.00589 0.02093 0.01354 -0.00463 -0.00283 0.03028 0.08526 -0.00720 0.02512 -0.01388 -0.00233 0.01821 -0.00003 -0.00370 0.00141 0.00503 -0.02283 -0.02228 -0.01473 -0.02030 -0.00366 -0.01179 0.00004 0.00663 0.00367 -0.00168 -0.01654 -0.00427 -0.01376 -0.00236 0.01578 -0.03871 -0.01239 0.00912 -0.02644 0.01475 0.08297 -0.05400 0.02258 -0.05615 -0.00916 0.02968 0.01925 -0.00751 -0.00387 0.04365 0.12250 -0.01039 0.03604 -0.01996 -0.00311 0.02607 0.00026 -0.00493 0.00169 0.00768 -0.03389 -0.03219 -0.02095 -0.02949 -0.00503 -0.01676 0.00093 0.00896 0.00658 0.00042 -0.00877 -0.00513 -0.01276 -0.00543 0.03126 -0.05237 -0.01348 -0.00811 -0.05454 0.01394 0.07225 -0.05308 0.01978 -0.05500 -0.00839 0.03300 0.02322 -0.00306 -0.00126 0.03987 0.11239 -0.00987 0.03827 -0.02075 -0.00520 0.03359 -0.00165 -0.00823 0.00347 0.00689 -0.02290 -0.03046 -0.01479 -0.02867 -0.00350 -0.01585 -0.00162 0.01266 -0.00868 -0.01801 -0.04112 -0.00829 0.01490 0.00683 -0.02907 -0.05043 -0.04595 0.26575 0.18098 0.00618 0.01950 -0.00986 0.00149 -0.01508 -0.01564 0.02209 0.01851 -0.03598 -0.03048 0.00584 0.03240 -0.00205 -0.00316 -0.00515 -0.00389 0.00155 -0.00058 -0.04137 -0.06409 -0.00331 -0.01505 -0.01010 -0.00119 -0.01071 -0.00194 -0.00678 -0.00478 0.07382 0.09711 0.00025 -0.00123 -0.00005 -0.00019 0.00023 0.00047 -0.00094 -0.00010 -0.00021 0.00004 0.00011 0.00161 0.00017 0.00063 0.00039 0.00025 -0.00069 0.00004 -0.00038 0.00016 0.00071 0.00075 0.00015 0.00075 -0.00010 -0.00034 0.00020 0.00009 0.00026 0.00020 -0.00025 -0.00061 0.00018 0.00001 0.00017 -0.00025 0.00048 0.00055 0.00024 -0.00003 -0.00026 -0.00006 -0.00022 -0.00005 -0.00021 -0.00008 0.00071 0.00020 -0.00009 -0.00014 0.00037 0.00253 0.00125 -0.00110 0.00166 -0.00156 -0.00266 -0.00103 -0.00095 0.00158 0.00063 0.00426 0.00209 -0.00181 0.00277 -0.00264 -0.00448 -0.00173 -0.00164 0.00268 0.00934 0.03775 -0.03817 -0.02016 -0.04449 -0.00391 0.00525 -0.00503 -0.00052 -0.00060 -0.00510 0.08776 0.00257 -0.02240 0.01019 0.00254 -0.02287 -0.00699 0.00169 -0.00258 0.00798 -0.02865 -0.01711 0.01407 -0.02003 -0.00399 0.01641 0.01004 0.00006 0.00660 -0.00217 -0.01499 -0.00725 0.00591 -0.00971 0.00955 0.01607 0.00577 0.00662 -0.01007 0.01371 0.05385 -0.05498 -0.02917 -0.06394 -0.00529 0.00695 -0.00734 -0.00168 -0.00061 -0.00687 0.12751 0.00392 -0.03218 0.01425 0.00391 -0.03233 -0.01181 0.00305 -0.00550 0.01164 -0.04075 -0.02468 0.02055 -0.02903 -0.00626 0.02440 0.01457 -0.00082 0.01150 -0.00441 -0.00500 -0.00626 0.00501 -0.00408 0.01063 0.00731 0.01408 0.00062 -0.00384 0.00967 0.05383 -0.05249 -0.03069 -0.06114 -0.00560 0.00645 -0.00804 0.00494 -0.00168 -0.00772 0.10488 0.00070 -0.02860 0.01103 0.00020 -0.03264 -0.00624 -0.00292 0.00222 0.01246 -0.04154 -0.02497 0.02095 -0.03039 -0.00509 0.02656 0.01450 0.00216 0.00012 -0.00065 0.01269 0.01558 -0.02874 -0.04781 -0.06501 0.16220 -0.13679 0.03199 -0.29704 0.00317 0.01276 -0.01296 -0.00516 -0.01781 -0.02411 0.01522 -0.00826 0.00047 -0.02923 -0.00047 0.02087 -0.00655 0.00279 0.01810 0.03550 -0.06938 0.04151 0.03252 0.07180 0.00099 -0.01365 -0.00696 0.00394 -0.00446 0.00067 0.01594 0.03608 -0.00516 0.09893 -0.00035 0.00078 0.00021 -0.00022 0.00021 -0.00032 0.00064 0.00031 0.00012 -0.00016 0.00000 0.00006 0.00019 0.00062 0.00033 -0.00015 0.00032 0.00071 -0.00002 -0.00007 -0.00037 -0.00124 0.00001 0.00012 -0.00013 -0.00029 0.00118 0.00059 0.00023 0.00001 -0.00013 0.00136 0.00046 -0.00032 0.00046 -0.00019 0.00092 -0.00009 -0.00031 0.00004 -0.00016 0.00100 -0.00012 0.00004 -0.00028 -0.00049 0.00074 -0.00012 0.00041 -0.00024 1 H 1S 2S 3S 4S 5PX 5PY 5PZ 2 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 3 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 4 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 5 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 6 H 1S 2S 3S 4S 5PX 5PY 5PZ 7 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 8 H 1S 2S 3S 4S 5PX 5PY 5PZ 9 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 10 H 1S 2S 3S 4S 5PX 5PY 5PZ 11 B 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 12 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 13 H 1S 2S 3S 4S 5PX 5PY 5PZ 14 H 1S 2S 3S 4S 5PX 5PY 5PZ 15 H 1S 2S 3S 4S 5PX 5PY 5PZ 16 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 17 H 1S 2S 3S 4S 5PX 5PY 5PZ 18 H 1S 2S 3S 4S 5PX 5PY 5PZ 19 H 1S 2S 3S 4S 5PX 5PY 5PZ 20 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 21 H 1S 2S 3S 4S 5PX 5PY 5PZ 22 H 1S 2S 3S 4S 5PX 5PY 5PZ 23 F 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 24 F 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 1 H 1S|2S|3S|4S|5PX|5PY|5PZ|2 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|3 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|4 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|5 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|6 H 1S|2S|3S|4S|5PX|5PY|5PZ|7 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|8 H 1S|2S|3S|4S|5PX|5PY|5PZ|9 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|10 H 1S|2S|3S|4S|5PX|5PY|5PZ|11 B 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|12 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|13 H 1S|2S|3S|4S|5PX|5PY|5PZ|14 H 1S|2S|3S|4S|5PX|5PY|5PZ|15 H 1S|2S|3S|4S|5PX|5PY|5PZ|16 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|17 H 1S|2S|3S|4S|5PX|5PY|5PZ|18 H 1S|2S|3S|4S|5PX|5PY|5PZ|19 H 1S|2S|3S|4S|5PX|5PY|5PZ|20 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|21 H 1S|2S|3S|4S|5PX|5PY|5PZ|22 H 1S|2S|3S|4S|5PX|5PY|5PZ|23 F 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|24 F 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2 0.27225 0.49390 0.02570 -0.03031 0.01442 0.00439 0.00566 1.10441 0.88471 0.23270 0.23556 0.17060 0.75540 0.52425 0.52934 0.43544 0.45317 0.24367 0.16107 0.35703 0.20030 0.09795 -0.10971 0.00398 0.00472 0.00448 0.01029 0.02230 0.01652 1.10444 0.88470 0.23669 0.23157 0.16709 0.75747 0.53185 0.52405 0.42710 0.45768 0.17924 0.25018 0.35235 -0.24446 -0.08026 0.04138 0.01260 0.00400 0.01049 0.00522 0.01926 0.02132 1.10442 0.88471 0.23577 0.23227 0.16959 0.75660 0.52949 0.52457 0.43306 0.44676 0.19072 0.23222 0.35404 0.10373 -0.03424 0.07558 0.01249 0.00410 0.00961 0.00653 0.01707 0.02168 1.10438 0.88474 0.23736 0.23425 0.16763 0.75201 0.53685 0.53627 0.43158 0.47294 0.21505 0.19813 0.36442 0.00425 0.14023 0.26142 0.03666 0.00419 0.00889 0.00694 0.01587 0.01778 0.27240 0.49052 0.02408 -0.05901 0.00582 0.01279 0.00581 1.10437 0.88469 0.23839 0.22796 0.17602 0.75309 0.53196 0.51515 0.44563 0.45075 0.17065 0.22268 0.36462 -0.05497 -0.02145 0.03695 0.03286 0.00413 0.01057 0.00536 0.01609 0.02032 0.27231 0.49296 0.02136 -0.04533 0.00790 0.01058 0.00603 1.10448 0.88471 0.19955 0.24280 0.18519 0.75407 0.47918 0.53952 0.46339 0.40079 0.02861 0.19755 0.37004 0.32350 -0.03928 -0.12439 -0.03482 0.00681 0.01062 0.01203 0.03259 0.03180 0.27203 0.49151 0.05022 -0.02156 0.00605 0.01286 0.00637 1.13271 0.85461 0.12762 0.17929 0.13655 0.63513 0.31346 0.36013 0.29456 0.16518 0.09610 0.06797 0.10098 -0.04168 0.00930 0.01808 0.01356 0.06584 0.05690 0.07069 0.04893 0.06179 1.10438 0.88485 0.22098 0.22318 0.19180 0.74016 0.52254 0.52847 0.47008 0.48748 0.31181 0.32447 0.19174 0.13970 0.04217 0.00236 -0.02252 0.01540 0.01078 0.01579 0.01556 0.00409 0.27162 0.46810 0.02851 0.01424 0.00565 0.00845 0.00835 0.27238 0.47999 0.04177 -0.00369 0.01317 0.00495 0.00331 0.27180 0.47855 0.04924 -0.00117 0.00481 0.01236 0.00385 1.10435 0.88491 0.22137 0.21345 0.20263 0.73701 0.52403 0.51044 0.48867 0.50047 0.32685 0.27728 0.22826 0.11089 0.02300 -0.00747 -0.02309 0.01566 0.01044 0.01214 0.01864 0.00513 0.27224 0.47846 0.06033 0.00807 0.00482 0.01291 0.00378 0.27224 0.47839 0.04061 0.00789 0.01292 0.00466 0.00380 0.27200 0.47577 0.02800 -0.00874 0.00594 0.00502 0.01053 1.09540 0.89600 0.24378 0.30598 0.23584 0.84213 0.57448 0.67503 0.56040 0.74928 0.34706 0.57659 0.36712 -0.32239 -0.05975 -0.03171 -0.03647 0.00836 0.00786 0.00702 0.00762 0.00409 0.26190 0.58265 0.13988 0.00343 0.00302 0.01152 0.00229 0.20818 0.41470 0.18534 -0.04317 0.00291 0.03899 0.00156 1.07783 0.91683 0.40064 0.41459 0.36572 1.07341 0.79881 0.81870 0.75164 0.88778 0.60149 0.63305 0.48497 -0.18030 0.02072 0.03070 0.01414 0.00143 0.00119 0.00062 0.00016 0.00015 1.07784 0.91685 0.40654 0.36982 0.40428 1.07475 0.80723 0.75864 0.80606 0.88139 0.61588 0.48562 0.59961 -0.20372 0.01968 -0.00305 0.03278 0.00045 0.00021 0.00109 0.00104 0.00089 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 H C C C C H C H C H B C H H H C H H H N H H F F 0.213993 -0.338156 0.106010 -0.310753 -0.631850 0.247602 -0.135846 0.234174 -0.068744 0.182521 0.232302 -0.425231 0.195087 0.188120 0.180546 -0.385087 0.159400 0.179485 0.211485 -0.053719 -0.004683 0.191492 -0.114266 -0.053882 -0.00000 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] alpha 41 42 43 44 45 46 47 48 49 50 O O O O O V V V V V -0.437842 -0.415770 -0.348336 -0.339477 -0.325680 0.036544 0.039752 0.045087 0.048524 0.056352 1.512710 1.908328 1.399117 1.182902 1.541860 0.171028 1.184230 1.262591 0.162241 0.134447 5.891535078555D+02 1.2375 -5.8523 1.6454 6.2038 -50.4475 -85.6278 -74.7541 -28.1813 9.2405 1.4253 19.8290 -15.3513 -4.4777 -28.1813 9.2405 1.4253 -691.4029 -207.1456 8.7299 -365.0773 -180.3555 53.4174 -301.4699 -55.6521 9.9100 14.4009 -7007.4925 -1502.6211 -341.1342 -1207.6297 342.8534 -870.7486 111.7500 85.2160 121.5442 -1954.7978 -1485.1331 -292.8646 126.6851 71.5431 -238.1429 0 -591.4156025 7.537E-9 2.954E-6 14.7423525,-11.4133282,-3.3290243,-20.9521172,6.8700678,1.0596979 C01 [X(C8H12B1F2N1)] 0.4868638 -2.3024561 0.6473411 -0.000000187 0.000001069 0.000000489 0.000000014 0.000000824 0.000000593 -0.000000322 0.000000398 0.000002746 -0.000000265 0.000000297 -0.000001073 0.000000764 0.000000373 0.000000360 0.000000832 0.000001516 0.000002391 -0.000000171 0.000000060 -0.000000102 -0.000000658 0.000000087 -0.000002078 -0.000000800 -0.000001799 -0.000003544 -0.000000522 -0.000000942 -0.000002658 -0.000001072 0.000013143 0.000002417 -0.000004010 -0.000000242 -0.000002578 0.000004987 -0.000004099 0.000001519 0.000000020 -0.000000472 0.000000350 -0.000000997 0.000001031 -0.000002128 0.000001884 -0.000000463 -0.000001846 -0.000000323 -0.000001804 -0.000003317 -0.000000198 -0.000001818 -0.000000572 -0.000000963 -0.000003385 -0.000000990 0.000001310 0.000006077 -0.000001311 -0.000000021 -0.000002062 -0.000000786 0.000000003 -0.000006280 0.000003603 -0.000002521 0.000005876 0.000009062 0.000003218 -0.000007384 -0.000000546 158.90010639999997 AuxInfo=1/0/N:12,16,2,4,3,7,5,9,11,23,24,20;21;22/E:(1,2)(10,11);;/CRV:3.3,4.3,5.3,6.3,7.3,8.3;;/rA:24nHC3C3C3C3HC3HC3HBCHHHCHHHNH0H0FF/rB:s1;s2;s2;s3;s3;s4;s4;s5s7;s7;s5;;s12;s12;s12;;s16;s16;s16;s9s12s16;;;s11;s11;/rC:.3138,.4747,.1246;1.3907,.3502,.1372;2.2199,1.4345,-.1204;1.9436,-.8942,.4216;3.6102,1.2983,-.1164;1.7821,2.4071,-.3203;3.3231,-1.0541,.4438;1.3005,-1.7425,.6276;4.142,.0358,.1673;3.7518,-2.0237,.6704;4.5678,2.5356,-.3788;6.1441,-.4538,-1.1191;5.746,.1968,-1.8968;7.2299,-.3418,-1.0868;5.896,-1.4956,-1.3558;6.1464,-.8363,1.2848;5.9814,-1.9135,1.1642;7.2225,-.6566,1.3252;5.6977,-.5091,2.2232;5.584,-.0601,.18;5.8047,2.292,.4916;5.8228,1.4278,.3799;5.1563,2.643,-1.619;4.1997,3.7422,.153; Gaussian 16 GINC-IRENE3800 ZOUBRITL Me_F-TS1 ES64L-G16RevC.01 RwB97XD GenECP Freq #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RwB97XD/GenECP Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 158.90010639999997 AuxInfo=1/0/N:12,16,2,4,3,7,5,9,11,23,24,20;21;22/E:(1,2)(10,11);;/CRV:3.3,4.3,5.3,6.3,7.3,8.3;;/rA:24nHC3C3C3C3HC3HC3HBCHHHCHHHNH0H0FF/rB:s1;s2;s2;s3;s3;s4;s4;s5s7;s7;s5;;s12;s12;s12;;s16;s16;s16;s9s12s16;;;s11;s11;/rC:.3138,.4747,.1246;1.3907,.3502,.1372;2.2199,1.4345,-.1204;1.9436,-.8942,.4216;3.6102,1.2983,-.1164;1.7821,2.4071,-.3203;3.3231,-1.0541,.4438;1.3005,-1.7425,.6276;4.142,.0358,.1673;3.7518,-2.0237,.6704;4.5678,2.5356,-.3788;6.1441,-.4538,-1.1191;5.746,.1968,-1.8968;7.2299,-.3418,-1.0868;5.896,-1.4956,-1.3558;6.1464,-.8363,1.2848;5.9814,-1.9135,1.1642;7.2225,-.6566,1.3252;5.6977,-.5091,2.2232;5.584,-.0601,.18;5.8047,2.292,.4916;5.8228,1.4278,.3799;5.1563,2.643,-1.619;4.1997,3.7422,.153; Me_F-TS1 Redundant internal coordinates found in file. (old form). Charge = 0 Multiplicity = 1 Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 1 2 2 3 3 4 4 5 5 7 7 9 11 11 11 11 12 12 12 12 16 16 16 16 20 21 2 3 4 5 6 7 8 9 11 9 10 20 21 22 23 24 13 14 15 20 17 18 19 20 22 22 1.0842 1.3891 1.3911 1.3969 1.0851 1.3889 1.0842 1.399 1.5864 1.3911 1.0841 1.4453 1.532 1.8379 1.377 1.369 1.0892 1.092 1.0968 1.4685 1.0964 1.0918 1.0904 1.4627 1.5201 0.8716 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 1 1 3 2 2 5 2 2 7 3 3 9 4 4 9 5 5 7 5 5 5 5 21 21 22 22 23 13 13 13 14 14 15 17 17 17 18 18 19 9 9 9 12 12 16 11 2 2 2 3 3 3 4 4 4 5 5 5 7 7 7 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 16 16 16 16 16 16 20 20 20 20 20 20 22 3 4 4 5 6 6 7 8 8 9 11 11 9 10 10 7 20 20 21 22 23 24 23 24 23 24 24 14 15 20 15 20 20 18 19 20 19 20 20 12 16 22 16 22 22 20 120.0775 119.9926 119.9281 121.1619 119.5314 119.3048 120.0683 120.199 119.7327 117.8335 121.6165 120.5232 119.4278 119.9406 120.6309 121.5723 116.1669 122.2512 105.6298 82.7506 117.8893 117.4412 100.3141 97.8497 97.2951 123.6783 113.3316 108.8638 109.2998 109.3959 109.192 108.9994 111.0558 108.3106 109.1257 112.3594 108.9248 108.6322 109.4257 112.9889 115.1809 95.3315 112.2926 108.5915 111.0831 115.368 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A47 A48 20 20 22 22 21 21 1 1 -1 -2 169.769 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 180.0458 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 1 1 4 4 1 1 3 3 2 2 6 6 2 2 8 8 3 3 11 11 3 3 3 3 9 9 9 9 4 4 10 10 5 5 5 7 7 7 5 23 24 13 13 13 14 14 14 15 15 15 17 17 17 18 18 18 19 19 19 9 12 16 2 2 2 2 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 7 7 7 7 9 9 9 9 9 9 11 11 11 12 12 12 12 12 12 12 12 12 16 16 16 16 16 16 16 16 16 20 20 20 3 3 3 3 4 4 4 4 5 5 5 5 7 7 7 7 9 9 9 9 11 11 11 11 11 11 11 11 9 9 9 9 20 20 20 20 20 20 22 22 22 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 22 22 22 5 6 5 6 7 8 7 8 9 11 9 11 9 10 9 10 7 20 7 20 21 22 23 24 21 22 23 24 5 20 5 20 12 16 22 12 16 22 20 20 20 9 16 22 9 16 22 9 16 22 9 12 22 9 12 22 9 12 22 11 11 11 -179.6827 0.8295 0.8125 -178.6754 -179.7249 0.2244 -0.2197 179.7296 -0.5591 -178.6843 178.9299 0.8047 -0.5996 179.7071 179.4509 -0.2424 -0.2797 -179.173 177.8669 -1.0264 145.9432 162.5009 -103.054 38.1808 -32.1321 -15.5744 78.8706 -139.8945 0.8574 179.683 -179.4514 -0.6259 -92.4448 136.651 20.3492 88.67 -42.2341 -158.5359 29.2053 -88.1236 147.4657 51.5193 -176.1467 -52.9106 170.4499 -57.2162 66.0199 -69.2118 63.1222 -173.6417 72.78 -58.4574 179.7158 -167.4059 61.3567 -60.4701 -48.601 -179.8384 58.3348 -31.7822 84.6562 -151.3836 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. saddle point Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. -0.02042 0.00217 0.00286 0.00426 0.00584 0.01311 0.01457 0.01696 0.01757 0.01778 0.02054 0.02224 0.02311 0.02544 0.02583 0.02831 0.02935 0.03597 0.04215 0.04770 0.04828 0.04841 0.04870 0.05992 0.06873 0.07719 0.10649 0.11131 0.11646 0.12105 0.12355 0.12608 0.12894 0.13466 0.13568 0.15517 0.17054 0.17210 0.17740 0.17967 0.18979 0.19296 0.19650 0.20096 0.22659 0.26109 0.29935 0.32191 0.32674 0.33280 0.33988 0.34294 0.34613 0.35004 0.35770 0.35829 0.36048 0.36241 0.36456 0.36990 0.38095 0.39214 0.42452 0.46802 0.48100 0.51304 R25 R13 R26 A46 A26 1 0.70772 0.42960 -0.30347 -0.20293 -0.19954 A24 D27 D26 D23 D24 Angle between quadratic step and forces= 66.88 degrees. 1 2 0.00023311 0.00000003 0.00000002 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 2.04879 2.62508 2.62878 2.63984 2.05060 2.62463 2.04883 2.64370 2.99793 2.62881 2.04868 2.73114 2.89497 3.47318 2.60209 2.58701 2.05836 2.06365 2.07271 2.77502 2.07181 2.06321 2.06052 2.76402 2.87261 1.64712 2.09575 2.09427 2.09314 2.11467 2.08622 2.08226 2.09559 2.09787 2.08973 2.05658 2.12261 2.10353 2.08441 2.09336 2.10541 2.12184 2.02749 2.13369 1.84359 1.44427 2.05756 2.04974 1.75081 1.70780 1.69812 2.15859 1.97801 1.90003 1.90764 1.90932 1.90576 1.90240 1.93829 1.89038 1.90460 1.96104 1.90110 1.89599 1.90984 1.97203 2.01029 1.66385 1.95988 1.89528 1.93877 2.01355 2.96303 3.14239 -3.13605 0.01448 0.01418 -3.11847 -3.13679 0.00392 -0.00383 3.13687 -0.00976 -3.11863 3.12292 0.01404 -0.01046 3.13648 3.13201 -0.00423 -0.00488 -3.12716 3.10436 -0.01791 2.54719 2.83618 -1.79863 0.66638 -0.56081 -0.27183 1.37655 -2.44162 0.01497 3.13606 -3.13202 -0.01092 -1.61347 2.38501 0.35516 1.54758 -0.73712 -2.76697 0.50973 -1.53805 2.57376 0.89918 -3.07434 -0.92346 2.97491 -0.99861 1.15227 -1.20797 1.10169 -3.03062 1.27025 -1.02027 3.13663 -2.92178 1.07088 -1.05540 -0.84825 -3.13877 1.01814 -0.55470 1.47753 -2.64214 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00001 0.00015 0.00013 -0.00005 -0.00004 -0.00001 0.00000 0.00000 -0.00002 0.00000 0.00000 -0.00000 0.00001 0.00012 -0.00008 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00006 0.00007 0.00001 0.00000 -0.00001 -0.00000 0.00004 -0.00004 0.00002 -0.00001 0.00003 0.00000 -0.00006 -0.00002 0.00007 -0.00011 0.00001 -0.00000 -0.00002 0.00004 -0.00002 -0.00001 0.00001 0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00004 0.00001 -0.00003 0.00016 -0.00010 0.00003 0.00005 -0.00004 -0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00001 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00002 0.00007 0.00001 0.00006 0.00017 0.00006 0.00012 0.00019 0.00018 0.00006 0.00013 0.00020 -0.00001 -0.00007 -0.00000 -0.00006 -0.00036 -0.00029 -0.00017 -0.00031 -0.00024 -0.00012 -0.00020 -0.00022 -0.00022 0.00032 0.00025 0.00021 0.00033 0.00027 0.00023 0.00031 0.00024 0.00020 0.00016 0.00021 0.00010 0.00017 0.00022 0.00011 0.00018 0.00022 0.00011 0.00023 0.00030 0.00030 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00001 0.00015 0.00013 -0.00005 -0.00004 -0.00001 0.00000 0.00000 -0.00002 0.00000 0.00000 -0.00000 0.00001 0.00012 -0.00008 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00006 0.00007 0.00001 0.00000 -0.00001 -0.00000 0.00004 -0.00004 0.00002 -0.00001 0.00003 0.00000 -0.00006 -0.00002 0.00007 -0.00011 0.00001 -0.00000 -0.00002 0.00004 -0.00002 -0.00001 0.00001 0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00004 0.00001 -0.00003 0.00016 -0.00010 0.00003 0.00005 -0.00004 -0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00001 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00002 0.00007 0.00001 0.00006 0.00017 0.00006 0.00012 0.00019 0.00018 0.00006 0.00013 0.00020 -0.00001 -0.00007 -0.00000 -0.00006 -0.00036 -0.00029 -0.00017 -0.00031 -0.00024 -0.00012 -0.00020 -0.00022 -0.00022 0.00032 0.00025 0.00021 0.00033 0.00027 0.00023 0.00031 0.00024 0.00020 0.00016 0.00021 0.00010 0.00017 0.00022 0.00011 0.00018 0.00022 0.00011 0.00023 0.00030 0.00030 2.04879 2.62507 2.62879 2.63985 2.05061 2.62462 2.04883 2.64370 2.99794 2.62882 2.04868 2.73115 2.89512 3.47331 2.60204 2.58697 2.05835 2.06365 2.07271 2.77500 2.07182 2.06321 2.06052 2.76403 2.87273 1.64705 2.09575 2.09427 2.09314 2.11468 2.08621 2.08226 2.09558 2.09787 2.08974 2.05657 2.12255 2.10359 2.08442 2.09336 2.10539 2.12183 2.02753 2.13365 1.84360 1.44426 2.05759 2.04974 1.75075 1.70778 1.69819 2.15848 1.97802 1.90003 1.90762 1.90936 1.90574 1.90239 1.93830 1.89038 1.90460 1.96104 1.90110 1.89600 1.90984 1.97204 2.01025 1.66386 1.95985 1.89544 1.93866 2.01358 2.96308 3.14235 -3.13606 0.01447 0.01418 -3.11848 -3.13678 0.00392 -0.00382 3.13688 -0.00977 -3.11863 3.12291 0.01404 -0.01047 3.13647 3.13201 -0.00423 -0.00486 -3.12709 3.10437 -0.01785 2.54736 2.83623 -1.79851 0.66657 -0.56063 -0.27176 1.37669 -2.44142 0.01495 3.13599 -3.13202 -0.01098 -1.61382 2.38472 0.35499 1.54728 -0.73737 -2.76709 0.50953 -1.53827 2.57354 0.89950 -3.07409 -0.92325 2.97524 -0.99835 1.15249 -1.20767 1.10193 -3.03042 1.27042 -1.02007 3.13673 -2.92161 1.07109 -1.05529 -0.84807 -3.13855 1.01825 -0.55447 1.47783 -2.64184 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000009 0.000002 0.001205 0.000233 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -7.274228e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 1 2 2 3 3 4 4 5 5 7 7 9 11 11 11 11 12 12 12 12 16 16 16 16 20 21 2 3 4 5 6 7 8 9 11 9 10 20 21 22 23 24 13 14 15 20 17 18 19 20 22 22 1.0842 1.3891 1.3911 1.3969 1.0851 1.3889 1.0842 1.399 1.5864 1.3911 1.0841 1.4453 1.532 1.8379 1.377 1.369 1.0892 1.092 1.0968 1.4685 1.0964 1.0918 1.0904 1.4627 1.5201 0.8716 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 1 1 3 2 2 5 2 2 7 3 3 9 4 4 9 5 5 7 5 5 5 5 21 21 22 22 23 13 13 13 14 14 15 17 17 17 18 18 19 9 9 9 12 12 16 11 2 2 2 3 3 3 4 4 4 5 5 5 7 7 7 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 16 16 16 16 16 16 20 20 20 20 20 20 22 3 4 4 5 6 6 7 8 8 9 11 11 9 10 10 7 20 20 21 22 23 24 23 24 23 24 24 14 15 20 15 20 20 18 19 20 19 20 20 12 16 22 16 22 22 20 120.0775 119.9926 119.9281 121.1619 119.5314 119.3048 120.0683 120.199 119.7327 117.8335 121.6165 120.5232 119.4278 119.9406 120.6309 121.5723 116.1669 122.2512 105.6298 82.7506 117.8893 117.4412 100.3141 97.8497 97.2951 123.6783 113.3316 108.8638 109.2998 109.3959 109.192 108.9994 111.0558 108.3106 109.1257 112.3594 108.9248 108.6322 109.4257 112.9889 115.1809 95.3315 112.2926 108.5915 111.0831 115.368 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A47 20 22 21 1 -1 169.769 -DE/DX|=|0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 1 1 4 4 1 1 3 3 2 2 6 6 2 2 8 8 3 3 11 11 3 3 3 3 9 9 9 9 4 4 10 10 5 5 5 7 7 7 5 23 24 13 13 13 14 14 14 15 15 15 17 17 17 18 18 18 19 19 19 9 12 2 2 2 2 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 7 7 7 7 9 9 9 9 9 9 11 11 11 12 12 12 12 12 12 12 12 12 16 16 16 16 16 16 16 16 16 20 20 3 3 3 3 4 4 4 4 5 5 5 5 7 7 7 7 9 9 9 9 11 11 11 11 11 11 11 11 9 9 9 9 20 20 20 20 20 20 22 22 22 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 22 22 5 6 5 6 7 8 7 8 9 11 9 11 9 10 9 10 7 20 7 20 21 22 23 24 21 22 23 24 5 20 5 20 12 16 22 12 16 22 20 20 20 9 16 22 9 16 22 9 16 22 9 12 22 9 12 22 9 12 22 11 11 -179.6827 0.8295 0.8125 -178.6754 -179.7249 0.2244 -0.2197 179.7296 -0.5591 -178.6843 178.9299 0.8047 -0.5996 179.7071 179.4509 -0.2424 -0.2797 -179.173 177.8669 -1.0264 145.9432 162.5009 -103.054 38.1808 -32.1321 -15.5744 78.8706 -139.8945 0.8574 179.683 -179.4514 -0.6259 -92.4448 136.651 20.3492 88.67 -42.2341 -158.5359 29.2053 -88.1236 147.4657 51.5193 -176.1467 -52.9106 170.4499 -57.2162 66.0199 -69.2118 63.1222 -173.6417 72.78 -58.4574 179.7158 -167.4059 61.3567 -60.4701 -48.601 -179.8384 58.3348 -31.7822 84.6562 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0.000000 1.084173 0.000000 2.148185 1.389131 0.000000 2.149050 1.391093 2.406872 0.000000 3.406306 2.426814 1.396943 2.806094 0.000000 2.467394 2.143172 1.085133 3.387461 2.147757 0.000000 3.390438 2.408366 2.780031 1.388892 2.435209 3.865009 0.000000 2.478415 2.151254 3.390855 1.084194 3.890286 4.283576 2.144329 0.000000 3.853572 2.769401 2.394486 2.400579 1.398988 3.380790 1.391106 3.383521 0.000000 4.284865 3.390384 3.864128 2.146470 3.416891 4.949063 1.084113 2.467691 2.155751 0.000000 4.753706 3.890543 2.606107 4.392129 1.586437 2.789288 3.887450 5.476287 2.593910 4.749145 0.000000 6.033399 4.981941 4.467940 4.495819 3.239731 5.277296 3.280480 5.307729 2.429602 3.374984 3.459665 0.000000 5.802774 4.809272 4.137727 4.585136 2.990738 4.804509 3.593551 5.467637 2.618961 3.936740 3.026984 1.089236 0.000000 7.068760 6.006131 5.402726 5.525020 4.090713 6.150018 4.256021 6.329178 3.354173 4.244307 3.983428 1.092035 1.774301 0.000000 6.102015 5.092495 4.860579 4.375197 3.816631 5.764301 3.170714 5.011267 2.782360 2.997018 4.355381 1.096831 1.783031 1.784119 0.000000 6.089695 5.034040 4.748522 4.290909 3.598953 5.669474 2.953957 4.973434 2.454993 2.742538 4.077923 2.434201 3.368998 2.653914 2.733218 0.000000 6.237468 5.220481 5.196894 4.230141 4.192612 6.205211 2.885147 4.714590 2.859511 2.286281 4.916625 2.714897 3.725303 3.015939 2.555859 1.096356 0.000000 7.102970 6.036161 5.611448 5.360973 4.353014 6.456903 4.017546 6.060985 3.362975 3.787336 4.487870 2.679316 3.645452 2.432457 3.106717 1.091802 1.773739 0.000000 5.861674 4.862155 4.622249 4.181815 3.619180 5.505034 3.017016 4.837597 2.635136 2.914112 4.161396 3.372460 4.180281 3.651269 3.717809 1.090381 1.781652 1.775717 0.000000 5.297633 4.213594 3.693433 3.742592 2.414375 4.559824 2.483887 4.623740 1.445259 2.730115 2.843009 1.468478 2.098868 2.095977 2.125282 1.462657 2.135749 2.086099 2.095027 0.000000 5.795536 4.835299 3.736413 5.006533 2.484600 4.105357 4.166260 6.048410 2.821379 4.782509 1.531953 3.201410 3.177720 3.385206 4.215154 3.245388 4.262595 3.376264 3.294861 2.382917 0.000000 5.596732 4.567708 3.637487 4.521263 2.271319 4.216248 3.523176 5.528361 2.192673 4.035664 1.837926 2.427050 2.589323 2.694926 3.400643 2.459625 3.435715 2.682755 2.676718 1.520121 0.871621 0.000000 5.584996 4.745651 3.511247 5.195947 2.540955 3.623226 4.613569 6.256743 3.319206 5.384508 1.376966 3.288744 2.531624 3.673192 4.212441 4.638793 5.402639 4.881062 4.999151 3.275109 2.235684 2.432431 0.000000 5.077155 4.404095 3.052773 5.163135 2.528361 2.801974 4.884413 6.221842 3.706815 5.806381 1.368985 4.796375 4.377519 5.234363 5.708624 5.102299 6.015255 5.464487 4.960157 4.046547 2.189487 2.835946 2.294190 0.000000 1.0207837 0.8973578 0.5624416 1 -591.415602474 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 2.3741, EpsInf= 2.2383) Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. CalDSu exits because no D1Ps are significant. There are 75 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 72 vectors produced by pass 0 Test12= 1.81D-14 1.33D-09 XBig12= 6.41D+01 3.45D+00. AX will form 72 AO Fock derivatives at one time. 72 vectors produced by pass 1 Test12= 1.81D-14 1.33D-09 XBig12= 6.43D+00 3.44D-01. 72 vectors produced by pass 2 Test12= 1.81D-14 1.33D-09 XBig12= 1.43D-01 5.19D-02. 72 vectors produced by pass 3 Test12= 1.81D-14 1.33D-09 XBig12= 1.17D-03 4.59D-03. 72 vectors produced by pass 4 Test12= 1.81D-14 1.33D-09 XBig12= 8.72D-06 2.75D-04. 72 vectors produced by pass 5 Test12= 1.81D-14 1.33D-09 XBig12= 6.23D-08 2.06D-05. 70 vectors produced by pass 6 Test12= 1.81D-14 1.33D-09 XBig12= 4.06D-10 1.83D-06. 24 vectors produced by pass 7 Test12= 1.81D-14 1.33D-09 XBig12= 2.27D-12 1.62D-07. 3 vectors produced by pass 8 Test12= 1.81D-14 1.33D-09 XBig12= 1.31D-14 1.32D-08. InvSVY: IOpt=1 It= 1 EMax= 1.24D-14 Solved reduced A of dimension 529 with 75 vectors. Isotropic polarizability for W= 0.000000 132.47 Bohr**3. End of Minotr F.D. properties file 721 does not exist. alpha 41 42 43 44 45 46 47 48 49 50 O O O O O V V V V V -0.437842 -0.415770 -0.348336 -0.339477 -0.325680 0.036544 0.039752 0.045087 0.048524 0.056352 1.512710 1.908328 1.399117 1.182902 1.541860 0.171028 1.184230 1.262592 0.162241 0.134447 5.891535083000D+02 PT57672.800S 2021-04-14T15:25:07.000 -10.32018 -10.29986 -10.29904 -10.29586 -10.29406 -10.28016 -6.93614 -1.29700 -1.26747 -1.07320 -0.96345 -0.86282 -0.85780 -0.83129 -0.76602 -0.72620 -0.68705 -0.65539 -0.62796 -0.61962 -0.58563 -0.58008 -0.57036 -0.55904 -0.55159 -0.53821 -0.52791 -0.50316 -0.49939 -0.49225 -0.48953 -0.48090 -0.47121 -0.46909 -0.46052 -0.43784 -0.41577 -0.34834 -0.33948 -0.32568 0.03654 0.03975 0.04509 0.04852 0.05635 0.05819 0.06884 0.07196 0.07843 0.08661 0.09338 0.09526 0.09584 0.10958 0.11530 0.11979 0.12983 0.13224 0.13468 0.14703 0.15135 0.15574 0.16077 0.16883 0.17134 0.17767 0.17898 0.18418 0.18606 0.18941 0.19139 0.19656 0.20031 0.20381 0.20729 0.20850 0.21408 0.22104 0.22836 0.22941 0.23606 0.24013 0.24811 0.24920 0.25749 0.26004 0.26611 0.27664 0.27746 0.28467 0.28955 0.29294 0.30049 0.30593 0.31468 0.31916 0.32678 0.33391 0.34028 0.34308 0.35665 0.36012 0.36319 0.37088 0.38152 0.38581 0.39356 0.39583 0.39871 0.41127 0.42216 0.42819 0.44543 0.45482 0.45859 0.46630 0.47022 0.47648 0.48754 0.50246 0.51768 0.53791 0.54270 0.56018 0.57171 0.58076 0.58825 0.59744 0.60997 0.62050 0.62964 0.63408 0.64341 0.64992 0.65854 0.66133 0.66858 0.67501 0.68640 0.70532 0.70707 0.71837 0.72313 0.73208 0.74228 0.74646 0.75585 0.76796 0.77342 0.78489 0.79083 0.80756 0.82199 0.83683 0.84400 0.85355 0.86720 0.88029 0.89519 0.91332 0.93098 0.94168 0.95004 0.95873 0.97791 0.98049 0.99181 0.99879 1.02498 1.03568 1.05325 1.06668 1.08722 1.10281 1.12768 1.14115 1.14371 1.17109 1.18722 1.20447 1.22225 1.26260 1.29847 1.33131 1.37034 1.37908 1.39229 1.41271 1.42442 1.44572 1.47466 1.49312 1.51836 1.52848 1.53436 1.54302 1.55266 1.56984 1.58305 1.59095 1.60470 1.61435 1.62598 1.63168 1.64796 1.65322 1.65735 1.67943 1.68562 1.70248 1.71954 1.73282 1.73677 1.75408 1.76561 1.78460 1.79289 1.79729 1.82735 1.83240 1.84524 1.87043 1.91277 1.92970 1.93212 1.95816 1.98648 2.00828 2.01250 2.02044 2.03735 2.05762 2.06117 2.08657 2.08852 2.10138 2.12146 2.15066 2.16809 2.17248 2.18013 2.19422 2.22184 2.26409 2.26951 2.29319 2.34174 2.36003 2.38248 2.39915 2.46803 2.49734 2.51831 2.52861 2.54569 2.54792 2.56217 2.57715 2.60551 2.61521 2.62659 2.64640 2.68168 2.69632 2.70879 2.71890 2.75127 2.76298 2.76835 2.79215 2.80381 2.81421 2.82947 2.84782 2.85411 2.86318 2.88201 2.89937 2.92294 2.93794 2.96356 2.97884 3.01417 3.05634 3.08078 3.11511 3.13093 3.16332 3.19771 3.24067 3.29941 3.31752 3.46534 3.49664 3.52685 3.56543 3.64429 3.66306 3.68242 3.76360 3.85654 3.87880 3.88522 3.89919 3.90944 3.91436 3.93924 3.94450 4.01414 4.02956 4.10099 4.14388 4.15953 4.18563 4.22325 4.27580 4.34871 4.53385 4.56643 4.73433 4.92056 4.95528 5.02898 6.44613 6.50372 6.51994 6.54394 6.61395 6.74636 14.75682 23.73029 24.07326 24.07658 24.09697 24.10378 24.21081 24.23208 24.32752 35.69205 66.97721 67.02026 41 42 43 44 45 46 47 48 49 50 O|O|O|O|O|V|V|V|V|V -0.43784 -0.41577 -0.34834 -0.33948 -0.32568 0.03654 0.03975 0.04509 0.04852 0.05635 -0.08931 -0.03232 0.00900 0.00130 0.00625 -0.00050 -0.00076 -0.00050 -0.00036 -0.00094 -0.13597 -0.05074 0.01546 0.00215 0.01182 0.00625 0.00378 -0.00178 0.03957 -0.01397 -0.04886 -0.01973 0.00987 0.00127 0.00920 -0.11873 -0.07881 0.00640 -0.60159 0.29215 0.00029 0.01729 0.01357 0.00343 0.01808 -0.25277 -0.35128 0.03699 -3.40328 1.88202 -0.00589 -0.00149 0.00030 0.00006 -0.00001 0.00370 0.00179 0.00024 0.01073 -0.00247 -0.00252 0.00496 0.00076 0.00063 -0.00292 -0.00065 0.00100 0.00423 -0.00058 0.00133 0.00095 -0.00022 0.00850 0.00378 -0.00774 -0.00055 0.00420 0.01770 -0.00047 -0.00007 -0.00171 -0.00663 0.00177 0.00036 0.00147 -0.00376 -0.00224 -0.00025 -0.00870 0.00279 -0.00274 -0.01056 0.00284 0.00059 0.00236 -0.00602 -0.00362 -0.00042 -0.01399 0.00442 0.08635 0.04991 -0.01041 -0.00125 -0.01021 -0.00983 -0.00248 0.00280 -0.02828 0.00851 -0.06474 0.07370 0.00640 0.00754 -0.03770 -0.00273 0.01013 0.03162 0.00440 0.00153 0.01708 -0.00545 0.10377 0.04511 -0.09086 -0.00501 0.03435 0.13703 -0.00416 0.00842 0.01121 0.03195 -0.00881 -0.00192 -0.00751 0.01824 0.01067 0.00114 0.03936 -0.01009 0.12318 0.07029 -0.01449 -0.00165 -0.01454 -0.01714 -0.00276 0.00510 -0.03580 0.00846 -0.09198 0.10229 0.01450 0.01278 -0.05676 -0.00246 0.01601 0.04915 0.00606 0.00439 0.02501 -0.00510 0.16555 0.07235 -0.14654 -0.00788 0.05279 0.21259 -0.00673 0.01073 -0.01357 0.02092 -0.00285 0.00248 0.00254 0.10331 0.04607 0.02530 0.26038 -0.08462 0.09990 0.05391 -0.00908 0.00014 -0.00561 0.00732 0.00068 0.01551 -0.05456 0.07062 -0.05800 0.07318 0.01206 0.01331 -0.05200 0.00869 0.03313 0.09398 0.01874 0.00937 0.01550 -0.00117 0.14667 0.06388 -0.13618 -0.02015 0.09449 0.36622 -0.01262 0.02141 -0.04699 0.20556 0.07919 0.09623 0.12189 8.14155 2.13208 -0.17028 8.60880 -1.66617 0.00870 0.06060 0.03908 0.02905 0.06895 0.90653 0.03751 0.02177 -1.69245 2.05025 0.01590 -0.01921 -0.00629 0.01798 0.05303 0.04167 0.45998 0.17477 2.42003 2.21815 -0.00570 0.00538 0.01109 0.00502 -0.03202 -0.09235 0.02042 0.46047 -0.61471 -0.52052 0.00130 0.00118 -0.00330 0.00894 0.00076 0.00009 -0.01311 0.00383 0.00140 0.00088 0.00163 -0.00024 0.00777 0.00016 -0.00493 -0.00091 0.00116 -0.01216 -0.00090 0.00054 -0.00553 -0.00090 0.00728 -0.02106 -0.00221 -0.00549 0.03019 -0.00810 -0.00839 -0.00098 -0.02558 -0.00506 0.00100 0.00547 0.00207 -0.00260 -0.00893 0.00157 -0.00792 0.00221 -0.00384 0.00680 -0.00040 -0.00074 -0.00343 0.00312 0.00163 -0.00306 0.00226 0.00206 0.00235 0.00483 -0.00108 0.00006 -0.00071 -0.00528 0.00041 0.00192 -0.00396 0.00290 0.00384 0.00782 -0.00171 0.00013 -0.00113 -0.00850 0.00063 0.00309 -0.00655 0.00453 -0.09966 -0.06136 0.01654 0.00044 0.00912 0.00158 -0.00191 -0.00442 -0.00924 0.00408 0.06184 -0.06087 0.03416 -0.01872 -0.00101 0.00056 0.02312 -0.02511 0.00812 -0.01307 -0.00883 0.02427 0.09244 -0.09365 -0.06263 -0.01359 0.10409 -0.10278 -0.02300 -0.00065 -0.01489 -0.02164 0.00481 -0.00089 0.00285 0.02374 0.00011 -0.00865 0.02440 -0.00789 -0.14338 -0.08939 0.02353 0.00008 0.01266 0.00325 -0.00121 -0.00620 -0.01000 0.00315 0.08897 -0.08567 0.05190 -0.03089 -0.00417 -0.00038 0.03462 -0.03837 0.01111 -0.01480 -0.01231 0.03609 0.14891 -0.15029 -0.09989 -0.02162 0.16164 -0.15957 -0.03512 0.00049 0.01946 -0.01933 -0.00590 -0.00593 -0.01112 0.14208 -0.04340 -0.03711 0.01812 -0.20017 -0.09342 -0.03881 0.00748 -0.00050 -0.00142 0.06138 -0.01648 -0.00189 -0.01481 -0.02809 0.07945 -0.06317 0.04932 -0.02261 0.00375 0.05555 0.07977 -0.04232 0.05952 -0.03063 -0.01254 0.02450 0.12923 -0.13456 -0.09042 -0.04482 0.27040 -0.27880 -0.06929 -0.00676 0.15166 -0.14068 -0.33710 -0.30483 -0.58680 1.19998 -1.75102 -0.49802 2.74500 -3.97241 0.03132 -0.02552 -0.08432 -0.03836 -0.07096 1.29744 0.37364 -0.03088 3.99333 1.28844 0.02823 0.03493 0.02980 0.01574 0.06085 1.94644 0.78127 -0.18668 2.88292 -1.02408 -0.00644 -0.00793 0.02685 -0.03268 -0.02213 -0.45981 0.15291 -0.33353 -0.73075 0.05743 0.00094 0.00097 0.00372 0.00141 -0.00334 -0.00224 0.00141 0.00752 -0.00100 0.00220 0.00258 -0.00561 -0.00442 -0.01876 0.01302 0.00332 -0.02466 -0.01922 0.00361 0.00239 -0.00513 -0.00164 -0.00853 -0.00183 0.00755 0.00039 -0.00211 -0.01655 0.00096 -0.00200 -0.02343 0.00070 0.00102 -0.00020 -0.00323 0.00222 0.00122 0.00353 0.00677 -0.00190 -0.01055 0.02333 -0.00948 -0.00559 -0.00545 -0.00006 -0.00425 -0.00474 0.00312 -0.00174 -0.00431 -0.00211 -0.00207 -0.00057 -0.00259 -0.00549 -0.00219 -0.00065 -0.00863 -0.00223 -0.00684 -0.00334 -0.00336 -0.00092 -0.00423 -0.00878 -0.00354 -0.00109 -0.01406 -0.00353 -0.07710 -0.00462 0.01549 0.00449 0.01430 -0.01249 -0.00459 0.00022 -0.01295 -0.00504 0.07509 -0.03868 0.01148 0.03413 0.00224 -0.00920 -0.03777 -0.00737 -0.01404 -0.00473 -0.01449 0.01791 0.00879 0.13842 -0.02807 0.02152 -0.13665 -0.03062 0.02808 0.01082 0.01952 0.00852 0.01019 0.00267 0.01333 0.02403 0.01059 0.00406 0.04501 0.00839 -0.10917 -0.00665 0.02269 0.00715 0.02128 -0.01447 -0.00505 0.00053 -0.01320 -0.01028 0.10611 -0.05418 0.01670 0.05447 0.00185 -0.00863 -0.05728 -0.01103 -0.01978 -0.00408 -0.01995 0.02695 0.01443 0.22231 -0.04454 0.03201 -0.21228 -0.04857 0.04237 0.01398 0.03237 0.01162 -0.00023 0.00509 -0.00699 0.17311 0.06728 -0.00926 0.14505 0.00795 -0.05693 -0.01947 0.02098 0.00629 0.01398 -0.02288 -0.00491 -0.01076 -0.04786 -0.05974 0.06284 -0.04648 0.01576 0.04871 0.00061 -0.05472 -0.10342 -0.02440 -0.08188 -0.02649 -0.01152 0.02144 0.01293 0.19740 -0.04168 0.06782 -0.37114 -0.07470 0.08816 0.04441 -0.08230 -0.17238 -0.04632 -0.12542 -0.16482 3.50056 1.63759 0.33332 1.81821 -3.88826 -0.04022 -0.02338 -0.01035 -0.04189 -0.08866 0.31789 -0.10513 -0.04500 -1.49095 -4.12991 0.03124 -0.05150 0.00664 0.00487 0.06395 -3.14355 -0.65769 -0.03700 -2.19704 0.86162 -0.00341 0.01349 0.00770 0.02778 -0.02525 0.88875 -0.31201 -0.10014 0.76920 -0.18808 0.00080 0.00031 -0.00453 -0.00154 0.00405 -0.00237 -0.00218 -0.00832 -0.00045 -0.00058 0.00117 -0.00349 -0.01275 0.00884 0.01417 -0.00008 0.01366 -0.02520 -0.00168 0.00113 -0.00277 0.00023 0.01115 0.00323 -0.00976 -0.00117 0.00390 0.02136 0.00078 0.00172 -0.01412 -0.00487 -0.00149 -0.00040 0.00365 0.00260 -0.00041 -0.00597 0.00438 -0.00191 -0.00424 0.01419 -0.00998 0.00096 -0.00400 -0.00606 0.00084 -0.00661 -0.00756 -0.00174 -0.00000 -0.01602 0.00174 0.00063 0.00115 -0.00152 -0.00190 -0.00040 -0.00317 0.00011 0.00003 -0.02555 0.00292 0.00103 0.00196 -0.00267 -0.00315 -0.00064 -0.00534 0.00018 0.11004 0.08773 -0.01852 -0.00586 -0.01262 -0.00223 0.00027 0.00006 0.00024 -0.00121 -0.05111 0.11631 -0.04598 -0.04142 -0.03933 -0.00010 -0.02920 -0.01339 0.00471 -0.00241 0.00986 -0.02170 0.01408 -0.13835 0.05000 0.01755 -0.13119 -0.03988 0.02308 0.01100 -0.00083 0.06563 -0.00696 -0.00217 -0.00391 0.01474 0.01109 0.00167 0.02160 -0.00343 0.15468 0.12307 -0.02565 -0.00792 -0.01692 -0.00522 0.00169 -0.00004 0.00188 -0.00025 -0.07099 0.16646 -0.06353 -0.06439 -0.05124 -0.00124 -0.04625 -0.01843 0.00557 -0.00209 0.01360 -0.03088 0.01977 -0.22351 0.07858 0.02832 -0.20441 -0.06009 0.03800 0.02359 -0.03208 0.11692 -0.02073 -0.00846 -0.02534 -0.02738 0.02373 0.00446 0.00151 0.17016 0.09262 0.10757 -0.04273 -0.01696 -0.04326 0.09724 -0.03274 0.00098 -0.00353 -0.05329 -0.04026 0.10170 -0.06339 -0.05879 -0.07084 -0.04486 -0.05240 -0.08317 0.01213 -0.05664 0.00866 -0.01311 0.02748 -0.20577 0.07055 0.05294 -0.35359 -0.12106 0.04858 -0.01505 -0.06145 -0.01106 0.10957 0.04188 0.17673 -4.43492 -0.52163 0.09046 -5.69875 0.21219 0.10208 -0.01780 -0.13617 -0.12706 -0.23251 3.34393 -0.30977 -0.21988 3.59549 -0.98549 -0.05206 0.01627 0.04884 0.06621 0.06408 -1.23377 -0.47982 -0.03951 -2.87892 0.24680 0.01079 0.00192 -0.05738 0.01374 0.00551 0.08345 -0.37947 -0.08627 0.62330 0.25338 0.00085 0.00283 -0.00441 -0.00297 0.00365 -0.00264 0.00252 0.00958 0.00151 0.00091 0.00102 -0.00406 -0.01327 0.00833 0.01177 0.00258 -0.01609 0.02468 0.00327 -0.00036 -0.00178 0.00190 0.01200 0.00567 -0.00714 0.00143 -0.00488 -0.02236 -0.00118 -0.00193 -0.01203 0.00065 0.00036 -0.00068 0.00546 0.00250 -0.00112 0.00381 -0.00310 0.00295 -0.00661 0.01504 -0.00740 0.00075 -0.00128 -0.00075 -0.00571 0.00452 -0.00256 0.00224 0.09065 -0.04471 0.01168 0.00135 0.01239 0.00041 -0.00145 -0.00091 -0.00172 -0.00119 0.13555 -0.06867 0.01928 0.00215 0.02044 -0.01068 -0.00072 -0.00694 0.00643 -0.01734 0.04535 -0.03438 0.01028 0.00108 0.00962 -0.09134 -0.04386 0.02405 -0.25659 0.26581 -0.00700 -0.01738 -0.01784 -0.00182 -0.02345 -1.08381 -0.19865 0.17597 -1.32479 1.89784 -0.00170 -0.00575 0.00155 0.00018 0.00089 -0.00027 0.00112 -0.00085 0.00307 -0.00181 -0.00670 0.00006 0.00223 -0.00137 -0.00049 -0.00141 0.00227 -0.00196 -0.00509 0.00297 0.00149 0.00077 0.00778 -0.00761 -0.00507 -0.00126 0.01303 -0.01331 -0.00170 -0.00224 0.00467 -0.00110 0.00640 0.00133 0.00713 -0.00938 -0.00156 0.00140 -0.00084 -0.00257 0.00753 -0.00184 0.01014 0.00210 0.01129 -0.01542 -0.00254 0.00224 -0.00157 -0.00401 0.06935 0.01935 -0.02864 -0.00427 -0.02693 0.01100 0.00275 -0.00374 -0.00208 0.00609 -0.05144 0.04784 -0.05242 0.01645 -0.01687 -0.02135 0.01545 -0.02950 -0.00705 -0.00958 0.01233 -0.01032 -0.08056 0.09343 0.07965 -0.00703 0.09689 -0.10213 -0.01962 0.00432 -0.02523 0.00812 -0.02857 -0.00572 -0.03270 0.05397 0.00780 -0.00667 0.01154 0.00755 0.09657 0.02446 -0.03935 -0.00585 -0.03571 0.01365 0.00269 -0.00444 -0.00120 0.01004 -0.07445 0.06881 -0.07512 0.02759 -0.01700 -0.02397 0.02515 -0.04350 -0.01353 -0.01145 0.01785 -0.01501 -0.13209 0.14843 0.12436 -0.00955 0.14824 -0.15830 -0.03194 0.01057 0.02821 -0.00826 -0.02666 -0.01077 -0.01162 0.02101 0.01271 -0.00631 0.00680 0.17107 0.09928 -0.00442 -0.03297 -0.00248 -0.03568 0.05113 0.03641 -0.02619 0.02666 -0.03700 -0.04847 0.05840 -0.06647 0.02475 -0.00934 -0.10678 0.02190 -0.08283 0.04640 0.03038 0.01161 -0.01052 -0.11516 0.14489 0.11611 -0.02014 0.28022 -0.29482 -0.06266 -0.04620 0.11856 -0.10586 -0.16035 -0.12135 -0.15499 -2.69321 -1.13696 -0.20630 0.52247 2.34838 -0.04872 -0.03453 -0.03513 -0.08128 -0.20028 5.01047 1.00421 0.07035 0.53076 -4.61714 -0.02197 -0.00872 -0.06880 -0.02675 -0.10420 -0.55926 -0.43684 -0.22284 0.50594 -2.07734 -0.00019 0.00528 -0.01936 0.03367 0.06073 -0.18653 0.35587 -0.41019 -0.46316 0.40316 0.00072 0.00033 0.00313 0.00151 -0.00452 -0.00003 -0.00188 -0.00880 -0.00061 -0.00125 0.00304 -0.00405 -0.00784 -0.01897 0.00871 -0.00461 0.02633 0.01725 -0.00536 -0.00073 -0.00381 0.00138 -0.00892 -0.00270 0.00651 -0.00044 0.00262 0.01799 0.00030 0.00303 -0.01571 0.00767 0.00221 0.00062 -0.00148 0.00269 0.00073 -0.00430 0.00060 0.00182 -0.01328 0.01043 -0.00444 -0.00495 0.00079 0.00421 0.00775 0.00520 0.00382 0.00131 -0.00911 0.04133 -0.01678 -0.00293 -0.01588 0.00016 -0.00029 -0.00122 -0.00032 0.00120 -0.01564 0.06353 -0.02644 -0.00474 -0.02567 0.01689 0.00798 -0.00209 0.02618 0.01767 -0.00236 0.02384 -0.01604 -0.00401 -0.01804 -0.39596 -0.13141 -0.02651 -0.52891 -0.25749 0.00748 -0.02153 -0.00718 -0.01081 -0.00159 -2.53878 -0.73418 -0.10399 -3.13661 -1.78723 -0.00591 0.00233 0.00023 0.00017 0.00048 0.00213 0.00123 0.00043 0.00667 0.00086 0.00314 0.00091 -0.00020 0.00267 -0.00081 0.00596 -0.00213 -0.00087 0.00732 0.00268 -0.00050 0.00048 0.00102 0.01175 -0.00213 0.00089 -0.01808 -0.00454 0.00139 -0.00128 -0.00386 0.00331 -0.00407 -0.00155 -0.00447 -0.00182 -0.00135 -0.00073 -0.00201 0.00201 -0.00611 0.00536 -0.00660 -0.00250 -0.00717 -0.00336 -0.00216 -0.00118 -0.00337 0.00346 -0.05393 0.00981 0.02020 0.00441 0.02446 0.00291 0.00252 0.00290 -0.00597 0.00094 0.06708 -0.07687 0.00454 -0.00761 0.04893 -0.00357 0.01239 0.03830 0.00175 0.00413 -0.01831 0.00922 -0.11362 -0.05818 0.07694 -0.00942 0.04016 0.15323 -0.00136 0.01626 0.01467 -0.01847 0.01916 0.00665 0.01832 0.02159 0.00489 0.00396 0.01595 -0.01187 -0.08269 0.01679 0.03159 0.00697 0.03969 0.00367 0.00676 0.00528 -0.01442 -0.00805 0.09467 -0.10930 0.00324 -0.01287 0.07416 0.00180 0.02004 0.06061 0.00141 0.00772 -0.02623 0.01118 -0.18211 -0.09292 0.12423 -0.01365 0.06635 0.23861 -0.00093 0.02076 0.02739 0.01143 0.02755 0.02469 0.05475 -0.11805 0.06470 -0.02213 -0.12703 -0.10110 -0.03089 0.05286 0.03298 0.00747 0.06497 -0.05084 -0.00684 0.01475 0.01079 0.12536 0.10669 -0.09870 0.00147 -0.01471 0.07541 -0.10188 0.02225 0.08414 0.06020 -0.00037 -0.02859 0.01135 -0.16803 -0.08891 0.12694 -0.01701 0.10204 0.42353 -0.02397 0.12219 -0.09270 0.33324 0.39736 0.41460 0.90447 -6.75128 0.17659 -0.01598 -3.88359 8.99287 -0.04969 -0.01480 -0.00941 -0.02003 0.17035 -7.27963 -1.44022 -0.12181 -4.46587 2.56719 0.00915 -0.03599 0.02189 -0.06403 -0.05919 1.43691 0.34053 0.21197 0.11738 -2.18914 0.00584 -0.00740 0.03396 -0.05181 -0.00129 0.19485 0.21468 0.55531 0.18525 0.71441 0.00381 0.00011 -0.00438 0.00924 0.00140 -0.00376 0.01361 -0.00196 -0.00028 -0.00043 0.00014 -0.00483 0.00611 0.00026 -0.00620 -0.00024 0.00011 0.01601 0.00037 -0.00169 -0.00603 -0.00254 0.00850 -0.02278 -0.00101 0.00207 -0.03223 0.00861 0.00618 0.00090 -0.02669 -0.00940 0.00082 0.00592 0.00289 -0.00421 0.00597 -0.00207 -0.00391 -0.00151 -0.00130 0.00532 -0.01983 -0.00493 -0.02753 0.00266 -0.00289 0.00044 -0.00218 -0.00193 0.07102 -0.04127 0.00940 0.00098 0.00925 0.00182 -0.00046 0.00084 -0.00347 -0.00019 0.10576 -0.06120 0.01780 0.00133 0.01811 0.02296 0.00114 0.00397 -0.00662 0.02496 0.04829 -0.02715 -0.00098 0.00245 0.00118 -0.38628 -0.11912 -0.01734 0.05783 -0.15631 -0.01431 0.00558 -0.00698 0.00756 -0.01714 -1.53935 -0.65012 -0.05498 -0.19909 -1.24189 0.00082 0.00278 -0.00223 -0.00025 -0.00223 -0.00349 -0.00013 -0.00049 0.00039 -0.00004 0.00434 -0.00012 -0.00142 0.00186 0.00206 0.00913 0.00511 -0.00327 0.00085 0.00480 -0.00101 -0.00008 -0.00759 0.00765 0.00569 -0.00288 0.01175 -0.01487 -0.00351 -0.00320 -0.00362 -0.03166 0.00396 0.00156 0.00097 -0.00037 0.00415 0.00066 0.00364 -0.00248 -0.00561 -0.04845 0.00607 0.00247 0.00137 -0.00072 0.00682 0.00138 0.00589 -0.00446 -0.00227 -0.04672 0.03814 0.00506 0.04382 0.01357 -0.01841 -0.00634 -0.00933 0.00440 -0.00851 -0.08961 0.01448 0.00405 0.00991 -0.00261 0.00279 0.00353 0.00606 0.00248 0.00423 0.02981 0.01093 -0.00537 0.01910 0.01286 -0.04658 -0.01341 -0.00335 -0.00186 0.01325 0.12566 -0.01847 -0.00771 -0.00716 0.00200 -0.02128 -0.01409 -0.01507 0.01726 -0.00353 -0.06684 0.06036 0.00739 0.06975 0.02422 -0.03297 -0.01302 -0.01571 0.01617 -0.01442 -0.12832 0.01887 0.00507 0.01147 -0.00877 0.00546 0.00684 0.00271 -0.01247 0.00719 0.04377 0.01933 -0.00728 0.03288 0.02104 -0.07754 -0.02202 -0.00462 -0.00276 0.03425 0.16151 0.01768 0.02092 0.10106 0.03721 -0.09226 0.22829 -0.09503 0.17986 -0.00489 0.00006 0.02881 -0.00090 0.01865 -0.02354 -0.00993 -0.06216 -0.12221 -0.12553 -0.00162 -0.06715 -0.01499 0.01535 0.00402 0.06428 -0.04016 0.05418 0.05840 0.28434 -0.00658 -0.00254 0.00368 0.01349 0.03783 0.05824 -0.14359 -0.00186 0.07232 0.11745 -0.00436 0.02437 -0.01991 0.02090 -0.03705 1.30313 0.40620 0.04878 0.84082 -0.90186 -0.00013 0.00980 -0.00836 0.00733 -0.01052 -0.03804 0.15582 -0.08130 0.01213 0.06897 0.00532 0.00460 0.01173 -0.01497 0.00802 -0.35105 -0.04010 -0.05525 -0.25696 0.27716 -0.00151 0.00056 0.00590 -0.00797 -0.00956 0.15745 0.06338 -0.05975 -0.01743 -0.38197 -0.00300 -0.02307 0.00482 -0.01050 0.00856 -0.00067 -0.02052 -0.00157 0.00298 0.00259 -0.00207 0.00833 0.01186 0.01639 0.01202 -0.00140 0.01692 0.01281 -0.00617 -0.00109 -0.00394 -0.02597 -0.00348 0.01431 -0.00982 -0.00373 0.02562 0.00369 -0.00301 -0.00038 -0.01258 -0.00351 0.00856 -0.00047 0.01224 0.00142 -0.00709 0.00252 0.00034 0.00176 0.00453 0.03420 -0.01155 -0.00367 -0.01050 -0.00299 0.00009 0.00207 0.00303 -0.00071 -0.00234 -0.00254 0.00358 0.00327 -0.00898 -0.01169 -0.00256 -0.01434 0.00691 0.01357 -0.00382 -0.00412 0.00590 0.00536 -0.01458 -0.01874 -0.00418 -0.02367 0.01106 0.02146 -0.03798 0.00462 0.03016 0.01322 -0.01163 0.01023 -0.00837 -0.01211 -0.01492 -0.00923 0.01640 0.03800 0.02489 -0.00621 0.03695 -0.01173 -0.01622 0.01587 0.00871 0.00384 0.00495 0.00894 -0.00679 -0.00582 0.02718 -0.01008 0.01035 0.03037 0.00219 0.01526 0.01271 0.01255 -0.01929 -0.01618 0.04309 0.05025 0.01355 0.06995 -0.02928 -0.04818 -0.05477 0.00449 0.04490 0.02045 -0.02289 0.02195 -0.01331 -0.01853 -0.02499 -0.02266 0.02430 0.05660 0.03434 -0.01054 0.05373 -0.02057 -0.02748 0.02528 0.01000 0.01139 0.00985 0.01479 -0.01343 -0.01107 0.04548 -0.01739 0.01672 0.05417 0.00628 0.03879 0.00325 0.01566 -0.03462 -0.03501 0.06941 0.27005 0.01592 0.26363 -0.18521 -0.42143 -0.04834 0.00691 0.03313 0.01911 -0.00824 -0.01623 0.00290 -0.03686 -0.01482 0.09232 0.02285 0.05329 0.04296 -0.01084 0.06301 -0.00598 -0.03808 0.06659 0.07285 -0.05271 -0.00575 0.00575 -0.01594 -0.00948 0.03673 0.01791 0.04574 0.12466 -0.02530 -0.11528 0.02188 -0.01703 -0.02271 -0.07675 -0.05745 4.95577 0.55414 1.28632 -1.29594 -8.42010 -0.01181 0.01455 -0.00415 0.02862 0.04007 -0.72977 -0.20160 -0.00352 -0.37867 0.16015 0.01018 0.00691 0.01098 -0.01455 0.02125 -0.09093 -0.32852 0.21620 0.16924 0.01592 -0.00305 -0.00396 0.00298 -0.00246 -0.00240 0.04166 0.08784 0.21877 -0.26978 -0.50168 0.00834 0.00420 -0.00106 -0.00205 0.00796 0.00127 0.00127 0.00654 0.00088 -0.00159 0.00265 -0.00246 -0.00309 0.00004 -0.00809 -0.00035 0.00095 0.00124 0.00089 0.00023 -0.00173 -0.00655 -0.01182 -0.00265 -0.01283 0.00140 -0.00128 -0.00352 -0.00022 0.00156 -0.00472 0.00714 0.01358 0.00329 0.01003 0.00013 -0.00248 -0.00635 0.00044 -0.00024 -0.00085 -0.00128 0.00090 0.00039 -0.00085 -0.00091 -0.00150 0.00168 0.00057 0.00160 0.02315 0.01753 0.00982 -0.00396 0.02001 -0.00500 -0.00122 0.01064 0.00482 -0.00390 0.03419 0.02430 0.01522 -0.00243 0.03117 -0.00045 0.01005 0.01315 -0.00536 -0.01835 0.00702 0.01927 0.01989 0.01101 0.02730 -0.23348 0.05428 0.00889 0.18169 0.20307 -0.01437 -0.00424 0.00754 0.01998 0.00659 -1.19081 0.12849 -0.10371 -0.40394 1.72464 -0.00141 0.00120 0.00151 -0.00078 0.00110 0.00203 -0.00313 0.00163 -0.00124 -0.00223 -0.00118 0.00002 0.00146 0.00044 0.00074 -0.00240 0.00109 0.00073 0.00030 0.00260 0.00255 0.00198 -0.00009 -0.00058 0.00262 0.00063 0.00090 0.00151 -0.00027 -0.00278 -0.03393 0.01266 0.03497 0.01093 0.00855 0.00141 -0.00711 -0.01082 -0.00356 -0.00073 -0.05173 0.02087 0.06160 0.02098 0.01424 0.00651 -0.01558 -0.03695 -0.00968 -0.02730 -0.02085 0.01021 0.05041 0.01431 0.01510 -0.15666 -0.02225 -0.09579 0.13982 0.32814 0.00004 -0.01091 0.01322 -0.01568 -0.03373 -0.37485 0.17015 -0.57527 1.03727 2.05283 0.00198 -0.00134 -0.00143 -0.00020 -0.00158 -0.00555 0.00039 -0.00387 0.00563 0.00606 0.00148 0.00195 0.00125 -0.00041 0.00205 -0.00162 -0.00102 0.00114 0.00043 0.00210 -0.00024 0.00054 -0.00042 -0.00020 0.00172 -0.00167 0.00176 0.00275 0.00033 0.00190 -0.00455 -0.03902 -0.04087 -0.00268 -0.04355 0.00293 0.00710 -0.00369 -0.00109 0.00218 -0.00528 -0.06024 -0.06820 -0.00422 -0.07639 0.01601 0.01873 -0.00830 -0.00132 -0.00447 -0.00092 -0.02468 -0.04675 -0.00380 -0.06342 -0.17881 -0.02315 -0.03570 0.22553 0.23848 0.00804 0.00058 0.00408 -0.00035 0.01572 -1.33476 -0.57949 0.05950 0.57033 2.12058 -0.00275 -0.00089 0.00027 0.00117 -0.00086 0.00212 0.00268 -0.00173 -0.00149 -0.00250 0.00062 -0.00169 -0.00242 -0.00005 -0.00054 0.00652 0.00328 -0.00011 -0.00222 -0.00440 0.00023 -0.00079 -0.00146 -0.00032 0.00027 0.00060 0.00144 0.00293 -0.00030 -0.00075 -0.00291 -0.00310 -0.00775 -0.00188 -0.00058 -0.01741 0.00306 0.00782 0.00918 -0.00835 -0.00476 -0.00499 -0.01263 -0.00305 -0.00081 -0.02810 0.00533 0.01305 0.01467 -0.01316 -0.03395 0.00351 -0.01367 -0.00383 0.01881 0.00829 -0.00261 0.01244 -0.01544 -0.00847 0.03584 0.03222 0.03853 0.01180 0.02864 -0.01384 -0.00796 -0.01737 0.00418 -0.00347 -0.01325 0.00135 -0.01158 -0.00923 -0.00081 0.00966 -0.00664 0.01322 -0.00198 0.01671 0.01527 0.01517 0.04058 0.00772 -0.00062 0.07928 -0.03056 -0.04082 -0.03504 0.02676 -0.04921 0.00391 -0.02475 -0.00712 0.02690 0.01387 -0.00272 0.01900 -0.02889 -0.01056 0.05459 0.04731 0.05753 0.01844 0.03935 -0.02151 -0.01345 -0.03155 0.00659 -0.01096 -0.02262 0.00077 -0.02101 -0.01477 -0.00222 0.02154 -0.00832 0.02382 -0.00921 0.03228 0.00881 0.00899 0.01647 0.03653 0.00713 0.34993 0.11078 -0.13153 -0.28577 0.34681 -0.04964 0.01084 0.00096 -0.01500 0.01774 0.02191 -0.08862 0.06154 0.02983 -0.05263 0.04090 0.03996 0.05657 0.02050 0.04639 -0.01561 -0.00732 -0.05367 0.01121 0.08538 -0.00710 0.00865 0.00403 -0.01856 0.00176 -0.05845 -0.06691 0.03210 0.06259 -0.05774 0.01249 -0.00118 -0.02817 0.03210 -0.08351 6.26591 0.15654 -0.26868 -1.40928 5.61523 -0.01233 0.00371 0.00644 -0.01691 0.00883 -0.00147 -0.14500 0.03239 -0.71603 -0.77511 0.01106 -0.00467 -0.00862 -0.00330 0.00054 0.31260 -0.09723 0.00665 0.32382 0.25761 0.00545 -0.00047 0.01788 -0.00731 0.01004 -0.46925 -0.01492 0.02323 -0.04410 -0.25833 0.00811 0.00609 0.00780 0.00097 0.00911 0.00149 -0.00130 0.00048 0.00004 0.00001 -0.00128 0.00220 0.00623 0.00195 0.00579 -0.00005 -0.00024 0.00178 -0.00020 0.00008 -0.00388 0.00088 0.00180 -0.00035 0.00598 -0.00183 0.00089 0.00319 -0.00034 -0.00054 -0.00282 0.00886 0.00907 0.00225 0.01894 -0.00073 0.00582 0.00526 -0.00139 0.00250 -0.00054 -0.00064 -0.00175 -0.00049 -0.00007 -0.00026 0.00013 -0.00343 0.00087 -0.00004 -0.02012 -0.03423 -0.03446 -0.00909 -0.04577 0.00149 -0.00377 -0.00097 0.00247 -0.00293 -0.03006 -0.05378 -0.05173 -0.01865 -0.08218 0.01547 -0.03902 -0.00214 0.00993 0.00895 -0.00877 -0.03440 -0.05562 -0.00725 -0.06290 -0.33610 0.00828 -0.01668 0.17491 -0.28405 0.01509 -0.01180 -0.01278 -0.01386 0.00660 -1.19563 -0.24216 0.00258 1.08609 -1.02717 -0.00373 0.00020 -0.00151 -0.00040 0.00079 0.00091 0.00025 0.00222 -0.00089 0.00053 -0.00131 -0.00137 -0.00017 -0.00064 -0.00176 0.00858 -0.00090 0.00012 -0.00255 0.00322 -0.00114 0.00023 -0.00088 -0.00049 0.00020 0.00212 0.00066 0.00014 -0.00079 0.00079 -0.02606 0.01394 0.00583 0.00175 0.03267 -0.00132 0.00753 0.00792 -0.00628 -0.00118 -0.04013 0.02163 0.01003 0.00250 0.05823 0.00907 0.02322 0.01943 -0.01328 -0.00450 -0.01462 0.00553 0.00132 0.01097 0.05848 -0.38892 0.11670 0.01572 0.08813 -0.15468 -0.00137 0.00138 -0.00419 0.01182 0.01077 -1.65587 0.22450 0.20223 1.51103 -0.37640 0.00128 -0.00124 -0.00140 -0.00002 -0.00178 -0.00691 0.00328 0.00127 0.00595 0.00146 0.00242 0.00146 0.00221 0.00071 0.00109 -0.00199 0.00022 -0.00196 0.00132 -0.00111 0.00021 0.00004 -0.00112 -0.00062 0.00006 0.00136 -0.00032 0.00252 0.00013 0.00043 0.01736 0.01373 0.01449 -0.00048 0.00932 -0.00100 -0.00386 -0.00169 0.00294 0.00654 0.02431 0.02239 0.02436 -0.00499 0.01709 0.00878 -0.02328 0.01461 0.00654 0.03401 0.01060 0.00810 -0.00545 0.00566 0.02281 -0.19944 0.04439 0.00999 0.14126 -0.32543 -0.00983 0.00124 -0.00914 -0.00157 -0.00590 -0.83709 -0.06836 0.03317 0.10619 -2.03069 -0.00119 0.00101 0.00169 -0.00023 0.00033 0.00365 -0.00348 -0.00053 -0.00121 0.00165 0.00135 0.00127 0.00105 0.00030 0.00246 -0.00281 0.00009 0.00250 0.00132 -0.00208 -0.00267 -0.00139 -0.00243 0.00005 0.00007 -0.00410 0.00298 0.00058 -0.00015 -0.00569 0.00597 0.00874 0.01128 0.00342 0.01497 0.00296 0.00464 0.00346 -0.00059 -0.00093 0.00963 0.01409 0.01840 0.00558 0.02429 0.00494 0.00748 0.00563 -0.00107 -0.00150 0.07993 -0.00738 -0.04556 -0.01112 -0.05321 0.00021 -0.00513 -0.00709 0.00703 0.00237 -0.02713 -0.07899 -0.11264 -0.02363 -0.15179 0.01310 -0.01026 -0.01914 -0.00670 0.00355 0.00543 -0.01369 0.00715 0.00888 -0.04154 -0.00049 -0.00510 -0.00102 0.00080 -0.01819 -0.02865 -0.03799 -0.05235 -0.01634 -0.06507 -0.01628 -0.01896 -0.01488 0.00471 0.00425 0.11949 -0.01252 -0.06918 -0.01692 -0.08042 0.00051 -0.00722 -0.00961 0.01606 0.00633 -0.04010 -0.12055 -0.16905 -0.03597 -0.22866 0.02210 -0.01732 -0.02729 -0.00940 0.00357 0.00825 -0.02119 0.01105 0.01507 -0.06425 -0.00110 -0.00396 -0.00613 0.00069 -0.02895 -0.04587 -0.08542 -0.09659 -0.03215 -0.15830 -0.04540 -0.10112 -0.05368 -0.01741 -0.00517 0.10498 0.00101 -0.06466 -0.01532 -0.07900 -0.03163 -0.02126 -0.02906 -0.01754 0.00884 -0.04111 -0.12934 -0.20576 -0.03591 -0.27722 0.04433 0.00446 -0.05027 -0.04018 0.02098 0.00194 -0.01949 -0.00055 -0.00642 -0.05810 -0.00076 -0.04754 0.07013 0.01667 -0.10340 -0.02426 -0.14244 -0.06600 -0.04796 -0.37205 1.09729 0.26961 -0.34973 2.56560 -1.56625 0.02121 0.03727 -0.00468 0.00587 0.01348 -0.69288 -0.01672 -0.15846 0.24320 0.27076 -0.04757 -0.03070 -0.11250 0.01882 -0.13021 0.55738 0.25869 -0.12815 -0.66475 0.16623 0.00220 0.01843 0.01751 -0.02403 -0.01540 0.02122 -0.12062 0.15702 0.01954 -1.66866 0.00593 0.00153 -0.00167 -0.00140 0.00056 -0.00101 -0.00071 0.00124 -0.00006 0.00076 0.00178 -0.00016 0.00988 0.00532 -0.00595 0.00104 -0.00490 -0.02064 0.00006 -0.00116 -0.00229 -0.00172 -0.00325 -0.00214 0.00270 -0.00062 -0.00075 0.00590 0.00084 -0.00040 -0.00407 0.00222 -0.00028 -0.00043 0.00023 0.00035 -0.00088 -0.00025 -0.00016 -0.00023 -0.00552 0.00438 0.00297 0.00139 -0.00036 -0.00206 -0.00011 -0.00368 0.00199 0.00064 -0.02145 -0.00255 0.06961 0.02930 0.07508 0.00246 0.01399 0.00776 -0.00477 -0.00194 -0.03892 -0.00911 0.13210 0.05527 0.14108 -0.00488 0.03811 0.00736 -0.00622 -0.01177 -0.01833 -0.00050 0.09232 0.03273 0.10385 0.02409 0.11123 0.03210 -0.01322 -0.00189 -0.01443 -0.01991 -0.03224 0.00519 0.01542 -1.14995 -0.42082 0.46164 0.27803 1.03600 -0.00020 -0.00313 -0.00246 0.00093 -0.00392 -0.00298 0.00825 0.00181 0.00146 0.00077 0.00343 0.00416 -0.00062 -0.00259 0.00251 -0.00010 -0.00276 0.00129 -0.00125 0.00187 0.00062 0.00024 -0.00247 -0.00164 -0.00188 -0.00167 -0.00244 0.00258 0.00086 -0.00294 -0.02321 -0.03077 0.01598 0.01700 -0.00020 0.00445 0.01609 -0.00422 0.00112 -0.00359 -0.03867 -0.04233 0.03034 0.02630 0.00732 0.02134 0.02465 -0.00670 -0.02792 -0.00575 -0.00850 -0.03109 0.07069 0.03776 0.08572 -0.09570 0.02181 0.08761 0.37649 0.14549 0.01860 0.01312 0.10294 0.01332 0.05791 1.01418 0.74335 -0.48156 -0.42817 -1.15899 0.00054 -0.00225 0.00200 0.00254 -0.00019 -0.00391 0.00800 -0.00204 0.00261 -0.00078 -0.00064 0.00808 0.01865 0.00504 0.02498 0.00100 0.00187 0.00351 -0.00238 0.00127 0.00029 0.00012 0.00278 -0.00008 0.00351 -0.00185 -0.00177 0.00225 0.00033 -0.00192 0.00030 0.00284 0.00077 0.00252 0.00044 -0.00287 0.00679 0.00211 -0.00128 0.00477 0.00049 0.00477 0.00128 0.00417 0.00073 -0.00479 0.01134 0.00354 -0.00220 0.00796 0.01028 0.05710 -0.03752 0.01573 -0.03904 -0.00589 0.02093 0.01354 -0.00463 -0.00283 0.03028 0.08526 -0.00720 0.02512 -0.01388 -0.00233 0.01821 -0.00003 -0.00370 0.00141 0.00503 -0.02283 -0.02228 -0.01473 -0.02030 -0.00366 -0.01179 0.00004 0.00663 0.00367 -0.00168 -0.01654 -0.00427 -0.01376 -0.00236 0.01578 -0.03871 -0.01239 0.00912 -0.02644 0.01475 0.08297 -0.05400 0.02258 -0.05615 -0.00916 0.02968 0.01925 -0.00751 -0.00387 0.04365 0.12250 -0.01039 0.03604 -0.01996 -0.00311 0.02607 0.00026 -0.00493 0.00169 0.00768 -0.03389 -0.03219 -0.02095 -0.02949 -0.00503 -0.01676 0.00093 0.00896 0.00658 0.00042 -0.00877 -0.00513 -0.01276 -0.00543 0.03126 -0.05237 -0.01348 -0.00811 -0.05454 0.01394 0.07225 -0.05308 0.01978 -0.05500 -0.00839 0.03300 0.02322 -0.00306 -0.00126 0.03987 0.11239 -0.00987 0.03827 -0.02075 -0.00520 0.03359 -0.00165 -0.00823 0.00347 0.00689 -0.02290 -0.03046 -0.01479 -0.02867 -0.00350 -0.01585 -0.00162 0.01266 -0.00868 -0.01801 -0.04112 -0.00829 0.01490 0.00683 -0.02907 -0.05043 -0.04595 0.26575 0.18098 0.00618 0.01950 -0.00986 0.00149 -0.01508 -0.01564 0.02209 0.01851 -0.03598 -0.03048 0.00584 0.03240 -0.00205 -0.00316 -0.00515 -0.00389 0.00155 -0.00058 -0.04137 -0.06409 -0.00331 -0.01505 -0.01010 -0.00119 -0.01071 -0.00194 -0.00678 -0.00478 0.07382 0.09711 0.00025 -0.00123 -0.00005 -0.00019 0.00023 0.00047 -0.00094 -0.00010 -0.00021 0.00004 0.00011 0.00161 0.00017 0.00063 0.00039 0.00025 -0.00069 0.00004 -0.00038 0.00016 0.00071 0.00075 0.00015 0.00075 -0.00010 -0.00034 0.00020 0.00009 0.00026 0.00020 -0.00025 -0.00061 0.00018 0.00001 0.00017 -0.00025 0.00048 0.00055 0.00024 -0.00003 -0.00026 -0.00006 -0.00022 -0.00005 -0.00021 -0.00008 0.00071 0.00020 -0.00009 -0.00014 0.00037 0.00253 0.00125 -0.00110 0.00166 -0.00156 -0.00266 -0.00103 -0.00095 0.00158 0.00063 0.00426 0.00209 -0.00181 0.00277 -0.00264 -0.00448 -0.00173 -0.00164 0.00268 0.00934 0.03775 -0.03817 -0.02016 -0.04449 -0.00391 0.00525 -0.00503 -0.00052 -0.00060 -0.00510 0.08776 0.00257 -0.02240 0.01019 0.00254 -0.02287 -0.00699 0.00169 -0.00258 0.00798 -0.02865 -0.01711 0.01407 -0.02003 -0.00399 0.01641 0.01004 0.00006 0.00660 -0.00217 -0.01499 -0.00725 0.00591 -0.00971 0.00955 0.01607 0.00577 0.00662 -0.01007 0.01371 0.05385 -0.05498 -0.02917 -0.06394 -0.00529 0.00695 -0.00734 -0.00168 -0.00061 -0.00687 0.12751 0.00392 -0.03218 0.01425 0.00391 -0.03233 -0.01181 0.00305 -0.00550 0.01164 -0.04075 -0.02468 0.02055 -0.02903 -0.00626 0.02440 0.01457 -0.00082 0.01150 -0.00441 -0.00500 -0.00626 0.00501 -0.00408 0.01063 0.00731 0.01408 0.00062 -0.00384 0.00967 0.05383 -0.05249 -0.03069 -0.06114 -0.00560 0.00645 -0.00804 0.00494 -0.00168 -0.00772 0.10488 0.00070 -0.02860 0.01103 0.00020 -0.03264 -0.00624 -0.00292 0.00222 0.01246 -0.04154 -0.02497 0.02095 -0.03039 -0.00509 0.02656 0.01450 0.00216 0.00012 -0.00065 0.01269 0.01558 -0.02874 -0.04781 -0.06501 0.16220 -0.13679 0.03199 -0.29704 0.00317 0.01276 -0.01296 -0.00516 -0.01781 -0.02411 0.01522 -0.00826 0.00047 -0.02923 -0.00047 0.02087 -0.00655 0.00279 0.01810 0.03550 -0.06938 0.04151 0.03252 0.07180 0.00099 -0.01365 -0.00696 0.00394 -0.00446 0.00067 0.01594 0.03608 -0.00516 0.09893 -0.00035 0.00078 0.00021 -0.00022 0.00021 -0.00032 0.00064 0.00031 0.00012 -0.00016 0.00000 0.00006 0.00019 0.00062 0.00033 -0.00015 0.00032 0.00071 -0.00002 -0.00007 -0.00037 -0.00124 0.00001 0.00012 -0.00013 -0.00029 0.00118 0.00059 0.00023 0.00001 -0.00013 0.00136 0.00046 -0.00032 0.00046 -0.00019 0.00092 -0.00009 -0.00031 0.00004 -0.00016 0.00100 -0.00012 0.00004 -0.00028 -0.00049 0.00074 -0.00012 0.00041 -0.00024 1 H 1S 2S 3S 4S 5PX 5PY 5PZ 2 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 3 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 4 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 5 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 6 H 1S 2S 3S 4S 5PX 5PY 5PZ 7 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 8 H 1S 2S 3S 4S 5PX 5PY 5PZ 9 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 10 H 1S 2S 3S 4S 5PX 5PY 5PZ 11 B 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 12 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 13 H 1S 2S 3S 4S 5PX 5PY 5PZ 14 H 1S 2S 3S 4S 5PX 5PY 5PZ 15 H 1S 2S 3S 4S 5PX 5PY 5PZ 16 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 17 H 1S 2S 3S 4S 5PX 5PY 5PZ 18 H 1S 2S 3S 4S 5PX 5PY 5PZ 19 H 1S 2S 3S 4S 5PX 5PY 5PZ 20 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 21 H 1S 2S 3S 4S 5PX 5PY 5PZ 22 H 1S 2S 3S 4S 5PX 5PY 5PZ 23 F 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 24 F 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 1 H 1S|2S|3S|4S|5PX|5PY|5PZ|2 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|3 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|4 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|5 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|6 H 1S|2S|3S|4S|5PX|5PY|5PZ|7 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|8 H 1S|2S|3S|4S|5PX|5PY|5PZ|9 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|10 H 1S|2S|3S|4S|5PX|5PY|5PZ|11 B 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|12 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|13 H 1S|2S|3S|4S|5PX|5PY|5PZ|14 H 1S|2S|3S|4S|5PX|5PY|5PZ|15 H 1S|2S|3S|4S|5PX|5PY|5PZ|16 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|17 H 1S|2S|3S|4S|5PX|5PY|5PZ|18 H 1S|2S|3S|4S|5PX|5PY|5PZ|19 H 1S|2S|3S|4S|5PX|5PY|5PZ|20 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|21 H 1S|2S|3S|4S|5PX|5PY|5PZ|22 H 1S|2S|3S|4S|5PX|5PY|5PZ|23 F 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|24 F 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2 0.27225 0.49390 0.02570 -0.03031 0.01442 0.00439 0.00566 1.10441 0.88471 0.23270 0.23556 0.17060 0.75540 0.52425 0.52934 0.43544 0.45317 0.24367 0.16107 0.35703 0.20030 0.09795 -0.10971 0.00398 0.00472 0.00448 0.01029 0.02230 0.01652 1.10444 0.88470 0.23669 0.23157 0.16709 0.75747 0.53185 0.52405 0.42710 0.45768 0.17924 0.25018 0.35235 -0.24446 -0.08026 0.04138 0.01260 0.00400 0.01049 0.00522 0.01926 0.02132 1.10442 0.88471 0.23577 0.23227 0.16959 0.75660 0.52949 0.52457 0.43306 0.44676 0.19072 0.23222 0.35404 0.10373 -0.03424 0.07558 0.01249 0.00410 0.00961 0.00653 0.01707 0.02168 1.10438 0.88474 0.23736 0.23425 0.16763 0.75201 0.53685 0.53627 0.43158 0.47294 0.21505 0.19813 0.36442 0.00425 0.14023 0.26142 0.03666 0.00419 0.00889 0.00694 0.01587 0.01778 0.27240 0.49052 0.02408 -0.05901 0.00582 0.01279 0.00581 1.10437 0.88469 0.23839 0.22796 0.17602 0.75309 0.53196 0.51515 0.44563 0.45075 0.17065 0.22268 0.36462 -0.05497 -0.02145 0.03695 0.03286 0.00413 0.01057 0.00536 0.01609 0.02032 0.27231 0.49296 0.02136 -0.04533 0.00790 0.01058 0.00603 1.10448 0.88471 0.19955 0.24280 0.18519 0.75407 0.47918 0.53952 0.46339 0.40079 0.02861 0.19755 0.37004 0.32350 -0.03928 -0.12439 -0.03482 0.00681 0.01062 0.01203 0.03259 0.03180 0.27203 0.49151 0.05022 -0.02156 0.00605 0.01286 0.00637 1.13271 0.85461 0.12762 0.17929 0.13655 0.63513 0.31346 0.36013 0.29456 0.16518 0.09610 0.06797 0.10098 -0.04168 0.00930 0.01808 0.01356 0.06584 0.05690 0.07069 0.04893 0.06179 1.10438 0.88485 0.22098 0.22318 0.19180 0.74016 0.52254 0.52847 0.47008 0.48748 0.31181 0.32447 0.19174 0.13970 0.04217 0.00236 -0.02252 0.01540 0.01078 0.01579 0.01556 0.00409 0.27162 0.46810 0.02851 0.01424 0.00565 0.00845 0.00835 0.27238 0.47999 0.04177 -0.00369 0.01317 0.00495 0.00331 0.27180 0.47855 0.04924 -0.00117 0.00481 0.01236 0.00385 1.10435 0.88491 0.22137 0.21345 0.20263 0.73701 0.52403 0.51044 0.48867 0.50047 0.32685 0.27728 0.22826 0.11089 0.02300 -0.00747 -0.02309 0.01566 0.01044 0.01214 0.01864 0.00513 0.27224 0.47846 0.06033 0.00807 0.00482 0.01291 0.00378 0.27224 0.47839 0.04061 0.00789 0.01292 0.00466 0.00380 0.27200 0.47577 0.02800 -0.00874 0.00594 0.00502 0.01053 1.09540 0.89600 0.24378 0.30598 0.23584 0.84213 0.57448 0.67503 0.56040 0.74928 0.34706 0.57659 0.36712 -0.32239 -0.05975 -0.03171 -0.03647 0.00836 0.00786 0.00702 0.00762 0.00409 0.26190 0.58265 0.13988 0.00343 0.00302 0.01152 0.00229 0.20818 0.41470 0.18534 -0.04317 0.00291 0.03899 0.00156 1.07783 0.91683 0.40064 0.41459 0.36572 1.07341 0.79881 0.81870 0.75164 0.88778 0.60149 0.63305 0.48497 -0.18030 0.02072 0.03070 0.01414 0.00143 0.00119 0.00062 0.00016 0.00015 1.07784 0.91685 0.40654 0.36982 0.40428 1.07475 0.80723 0.75864 0.80606 0.88139 0.61588 0.48562 0.59961 -0.20372 0.01968 -0.00305 0.03278 0.00045 0.00021 0.00109 0.00104 0.00089 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 H C C C C H C H C H B C H H H C H H H N H H F F 0.213993 -0.338156 0.106009 -0.310753 -0.631850 0.247602 -0.135847 0.234174 -0.068744 0.182521 0.232302 -0.425232 0.195087 0.188120 0.180546 -0.385087 0.159400 0.179485 0.211485 -0.053718 -0.004683 0.191492 -0.114266 -0.053882 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 2 3 4 5 7 9 11 12 16 20 23 24 C C C C C C B C C N F F -0.124163 0.353612 -0.076579 -0.631850 0.046674 -0.068744 0.227619 0.138522 0.165283 0.137774 -0.114266 -0.053882 -0.00000 155.186 -3.017 147.515 -1.275 -10.561 94.712 141.318 -2.716 145.164 -0.512 -9.387 96.233 -739.9871 -5.7399 -0.0009 0.0001 0.0004 4.4567 12.2631 76.4989 95.8920 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -739.9869 76.4609 95.8837 117.3704 138.4877 186.9516 213.9690 248.5468 259.2347 285.0202 332.5562 364.2310 380.9887 487.8499 510.3831 540.2987 572.9051 581.6081 658.8006 711.8730 750.1411 780.8785 795.1556 809.6606 905.7361 916.0934 983.5930 988.1702 1025.2957 1062.6935 1073.0768 1075.1445 1114.1164 1136.2799 1164.7919 1180.8895 1192.2871 1211.7815 1220.4413 1257.0237 1294.7073 1312.9903 1330.4786 1341.7331 1449.9436 1475.4411 1486.3757 1490.2804 1496.8724 1505.0089 1521.9087 1525.5818 1532.3912 1645.1877 1677.9839 2587.4411 3024.7432 3030.6080 3110.9724 3113.0845 3152.9985 3165.2686 3184.5833 3193.5963 3205.1121 3215.0545 1.3457 4.8000 4.6001 3.3904 4.2591 2.2772 2.0605 2.0780 1.0915 4.8480 4.1080 3.2660 3.6634 3.4007 3.3641 7.5048 4.0894 3.2385 4.3765 1.8460 1.9479 1.6038 3.1492 3.0825 1.4495 1.5661 3.0187 1.4061 1.3249 2.4898 1.9958 1.7542 1.2623 2.4749 3.7047 1.6337 1.1628 1.6056 1.8826 3.6844 1.3720 1.7586 4.8358 2.4798 1.1567 1.2232 1.0840 1.7374 1.0909 1.0931 1.0871 1.2391 1.8710 6.2114 6.2585 1.0253 1.0419 1.0423 1.0947 1.0959 1.1048 1.1029 1.0868 1.0896 1.0937 1.0985 0.4342 0.0165 0.0249 0.0275 0.0481 0.0469 0.0556 0.0756 0.0432 0.2320 0.2677 0.2553 0.3133 0.4769 0.5163 1.2908 0.7908 0.6454 1.1191 0.5512 0.6458 0.5762 1.1732 1.1906 0.7006 0.7744 1.7207 0.8090 0.8206 1.6567 1.3540 1.1947 0.9232 1.8827 2.9614 1.3423 0.9739 1.3891 1.6521 3.4301 1.3550 1.7863 5.0435 2.6303 1.4328 1.5689 1.4111 2.2735 1.4402 1.4588 1.4835 1.6991 2.5885 9.9053 10.3824 4.0442 5.6166 5.6405 6.2423 6.2573 6.4711 6.5101 6.4936 6.5478 6.6197 6.6901 1828.4876 0.2235 1.3476 0.5825 1.5951 11.4507 2.4609 12.5411 1.0577 1.5086 9.3873 0.4978 0.2047 4.7193 12.2593 15.9142 1.5599 14.9789 61.5760 46.1537 88.9734 40.4456 22.1177 49.8434 1.9640 86.7733 26.2488 3.5783 0.0973 81.3815 25.1959 34.1111 0.8185 169.0853 186.2737 35.2379 2.6118 26.5101 19.0180 181.0975 17.7521 74.2919 29.6365 12.1286 1.8933 8.8940 4.2370 17.4374 14.4935 23.9536 17.9426 27.9474 86.0236 16.9340 37.9962 1841.4246 32.2421 35.2001 29.0230 23.9386 15.7374 8.8844 2.1468 5.4923 24.9528 14.3713 0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.03 -0.01 0.00 0.00 0.01 -0.00 -0.12 0.03 -0.09 -0.01 -0.01 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.04 -0.02 -0.06 -0.01 -0.02 -0.01 0.03 -0.04 0.06 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.06 -0.01 0.33 0.31 0.27 0.17 0.78 0.19 0.01 0.00 0.03 0.02 -0.01 -0.00 -0.03 -0.01 0.08 -0.02 -0.00 0.06 -0.03 -0.01 -0.01 -0.02 0.01 0.11 -0.03 -0.01 -0.03 -0.04 -0.02 -0.03 -0.01 0.01 0.08 -0.01 0.02 0.17 -0.03 -0.00 0.00 -0.01 0.02 0.12 -0.00 -0.02 0.02 0.00 0.24 -0.06 -0.04 0.30 0.02 -0.01 0.31 -0.05 0.07 0.25 -0.18 0.00 -0.13 -0.13 0.06 -0.11 -0.32 -0.01 -0.08 -0.09 -0.02 -0.31 -0.08 -0.02 0.03 -0.00 -0.20 -0.02 0.28 -0.09 -0.03 0.19 0.25 -0.11 0.13 -0.13 0.02 -0.16 0.02 0.01 -0.20 0.01 0.01 -0.11 0.04 -0.04 -0.24 -0.01 0.06 0.16 0.04 -0.04 -0.13 0.06 -0.07 -0.40 -0.01 0.05 0.23 -0.03 0.11 0.30 0.01 -0.02 0.06 -0.04 0.08 0.42 0.01 -0.01 -0.06 -0.02 0.06 0.00 -0.00 0.15 0.07 -0.02 0.01 0.00 -0.07 0.09 -0.10 0.03 -0.15 -0.04 0.05 -0.14 -0.16 0.02 -0.13 -0.02 0.03 -0.27 0.00 0.01 -0.05 0.05 0.05 -0.04 -0.14 0.02 -0.06 -0.03 -0.05 0.19 -0.07 -0.02 -0.09 0.12 0.01 0.04 0.07 0.01 0.02 0.04 0.02 0.02 0.08 -0.00 -0.00 -0.04 0.01 0.01 0.05 0.02 0.04 0.13 -0.00 -0.01 -0.06 -0.01 -0.01 -0.09 0.01 -0.00 0.01 -0.01 -0.03 -0.10 -0.01 -0.00 -0.04 0.14 0.20 0.09 0.22 0.31 0.15 0.14 0.21 0.22 0.18 0.23 -0.10 -0.08 -0.19 0.02 -0.00 -0.17 -0.23 -0.10 -0.13 0.19 -0.22 -0.41 0.02 0.01 -0.01 0.09 0.08 0.02 -0.16 0.02 -0.01 0.03 -0.15 -0.05 -0.12 0.07 0.02 -0.04 0.01 0.13 0.41 0.00 0.07 0.21 0.01 0.02 0.04 -0.01 0.04 0.12 0.01 -0.04 -0.15 0.03 0.04 0.11 -0.02 -0.02 -0.10 -0.02 0.07 0.23 -0.00 -0.05 -0.18 -0.03 -0.03 -0.13 -0.01 -0.01 -0.07 0.20 -0.08 0.03 0.29 -0.11 -0.05 0.19 -0.04 0.20 0.28 -0.09 0.03 -0.13 0.03 0.06 -0.07 0.02 0.09 -0.15 0.07 0.22 -0.29 0.05 -0.03 -0.00 -0.05 -0.06 -0.05 -0.06 -0.03 -0.03 -0.06 -0.05 0.08 0.14 -0.01 -0.12 -0.08 0.02 -0.05 -0.00 -0.00 -0.05 -0.01 -0.01 -0.04 -0.02 -0.05 -0.05 0.00 0.05 -0.04 -0.03 -0.04 -0.04 -0.02 -0.07 -0.05 -0.01 0.02 -0.05 0.02 0.10 -0.04 -0.03 -0.04 -0.05 -0.01 0.05 0.01 -0.05 -0.00 0.07 0.12 -0.01 -0.25 -0.14 -0.07 0.02 0.62 -0.07 0.54 -0.02 0.10 0.02 0.12 -0.00 0.09 0.10 0.09 0.01 0.20 -0.03 0.01 0.16 -0.02 -0.05 0.00 -0.04 0.02 -0.01 0.02 -0.05 0.02 -0.01 -0.00 -0.07 -0.00 0.14 -0.05 0.08 -0.02 -0.14 0.05 -0.02 -0.10 0.03 -0.07 -0.06 -0.04 0.03 -0.07 0.07 -0.06 0.02 -0.05 -0.14 -0.10 -0.06 0.04 0.00 0.01 0.08 -0.08 0.13 -0.02 0.03 -0.05 0.10 0.03 0.02 -0.00 0.02 -0.01 -0.02 0.01 -0.01 0.32 0.28 0.03 0.02 -0.42 0.14 -0.39 0.14 -0.20 -0.08 0.05 0.01 0.12 0.03 -0.10 -0.12 0.22 0.20 -0.30 -0.10 -0.05 -0.03 0.03 -0.03 -0.03 0.01 0.03 -0.03 0.03 0.00 0.03 -0.01 0.01 0.14 0.05 0.03 0.00 -0.13 0.03 0.01 -0.09 0.02 -0.04 -0.05 -0.00 0.05 -0.07 0.03 -0.02 0.04 -0.02 -0.10 -0.08 -0.01 0.05 0.01 0.01 0.09 -0.10 0.04 -0.00 0.04 -0.00 0.09 0.03 -0.01 -0.00 0.07 -0.01 -0.02 -0.06 0.02 -0.34 -0.36 -0.06 -0.05 0.33 -0.14 0.31 -0.19 0.27 -0.10 -0.11 -0.01 -0.35 -0.07 0.00 -0.06 -0.35 -0.09 0.03 -0.00 0.02 -0.01 0.00 0.01 -0.05 -0.02 0.00 -0.01 -0.04 0.00 0.02 0.08 0.00 0.06 0.11 -0.04 0.01 0.00 -0.03 0.01 0.01 -0.01 0.01 0.01 0.01 0.00 0.00 -0.01 0.01 0.01 0.01 0.01 0.01 0.02 0.00 0.00 0.01 -0.00 0.00 -0.02 -0.00 0.00 0.01 0.01 0.01 0.02 0.00 0.01 0.01 -0.02 -0.06 0.01 -0.16 -0.21 -0.05 -0.03 0.10 -0.07 0.12 -0.13 0.15 0.02 -0.01 -0.02 0.47 -0.04 -0.30 -0.05 0.41 0.30 -0.34 -0.39 -0.06 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.00 0.01 0.01 -0.01 0.02 -0.01 0.01 0.02 0.20 0.00 -0.03 0.11 0.01 -0.03 0.11 -0.04 -0.10 -0.11 0.02 -0.05 -0.04 0.00 -0.03 0.17 -0.04 -0.10 -0.06 -0.06 -0.12 -0.26 -0.05 -0.05 0.09 -0.01 -0.10 -0.14 0.07 -0.03 -0.14 -0.22 0.14 0.03 -0.36 0.21 0.16 -0.22 0.18 -0.13 -0.22 0.16 -0.06 0.06 0.05 0.09 0.18 0.03 0.13 0.04 0.19 0.05 0.06 0.02 0.11 -0.07 -0.02 0.12 0.11 0.01 -0.16 -0.01 0.01 -0.00 0.15 0.20 -0.10 0.06 -0.09 -0.05 -0.10 0.02 -0.07 -0.10 -0.02 -0.02 -0.05 -0.04 0.03 -0.14 -0.03 0.01 -0.03 -0.04 0.04 -0.03 -0.03 0.03 -0.13 -0.05 0.03 -0.16 -0.02 0.00 -0.05 -0.09 0.01 -0.15 -0.06 0.06 -0.04 0.05 0.02 0.16 -0.06 0.04 0.38 0.06 0.02 0.16 -0.16 0.27 0.12 -0.02 -0.11 0.21 -0.01 -0.04 0.30 -0.03 0.06 0.20 0.11 -0.25 0.35 0.01 0.02 -0.02 -0.13 -0.01 -0.07 -0.14 0.05 -0.05 -0.15 0.01 -0.01 0.14 0.05 0.08 0.16 -0.11 0.01 -0.10 -0.36 0.01 -0.05 -0.14 0.01 0.03 0.21 -0.00 -0.04 -0.06 0.01 0.01 0.08 0.01 0.06 0.38 -0.00 0.03 0.23 -0.00 -0.07 -0.19 -0.01 -0.01 0.01 -0.00 0.08 0.43 0.03 -0.02 -0.03 0.07 0.01 -0.09 0.13 0.06 -0.09 0.07 0.04 0.01 0.12 0.02 -0.18 -0.14 0.05 -0.00 -0.15 0.04 0.09 -0.14 0.03 0.12 -0.26 0.15 -0.10 -0.02 -0.04 -0.11 0.09 -0.06 -0.08 0.05 -0.06 -0.10 0.04 0.05 -0.02 -0.01 -0.04 -0.03 0.11 0.09 -0.04 0.10 0.02 -0.02 0.14 -0.03 -0.09 0.00 0.01 0.09 0.11 -0.06 0.07 0.18 -0.04 -0.19 -0.01 -0.11 -0.05 -0.06 0.09 0.20 0.02 -0.12 -0.02 -0.04 -0.14 -0.11 0.02 0.02 0.10 -0.08 0.07 -0.13 -0.21 0.18 0.03 -0.09 0.16 -0.23 -0.03 0.10 -0.29 -0.11 0.05 0.12 -0.04 0.02 0.28 -0.13 0.12 0.29 -0.30 0.19 -0.02 -0.01 -0.11 -0.04 0.06 -0.08 0.09 0.03 -0.08 0.03 -0.09 0.03 0.07 0.00 0.11 -0.09 0.03 0.01 -0.14 0.02 -0.01 -0.03 0.04 -0.03 -0.04 -0.05 -0.02 0.10 0.03 -0.01 0.21 0.04 -0.07 -0.24 -0.05 -0.11 -0.06 -0.10 0.03 0.15 -0.05 -0.03 0.08 -0.07 -0.16 -0.23 0.12 -0.06 0.05 0.04 -0.02 0.08 0.20 -0.12 -0.10 0.04 -0.11 0.22 0.01 -0.05 0.23 -0.08 0.07 -0.16 -0.18 0.09 -0.32 -0.06 -0.05 -0.17 -0.02 -0.04 -0.09 -0.05 0.18 -0.03 0.20 0.27 -0.10 0.02 0.31 -0.06 0.01 0.07 -0.01 0.01 -0.07 -0.06 -0.09 -0.11 -0.17 -0.08 -0.04 -0.01 -0.09 -0.03 -0.05 -0.00 0.02 0.09 -0.04 0.13 0.22 -0.15 -0.11 -0.34 -0.00 0.08 -0.12 0.07 -0.05 0.08 0.01 0.11 0.11 0.06 0.03 -0.43 0.02 0.04 -0.05 0.05 -0.00 -0.09 0.01 0.08 0.00 0.04 0.09 -0.07 0.14 0.01 -0.25 0.03 -0.03 0.08 0.10 -0.06 0.21 0.01 0.06 0.14 -0.06 0.06 0.01 0.02 -0.14 -0.03 0.22 -0.13 -0.26 0.15 -0.16 -0.15 0.08 -0.00 -0.06 -0.06 -0.04 0.03 0.18 0.08 -0.08 0.16 -0.06 -0.04 0.16 -0.03 0.04 -0.07 -0.13 0.07 0.13 0.09 -0.03 0.05 -0.05 0.14 -0.08 -0.10 0.01 -0.17 -0.04 0.15 -0.12 -0.05 -0.06 0.03 -0.04 0.07 0.06 0.27 -0.08 -0.03 0.01 0.10 0.11 0.03 0.05 -0.03 0.03 0.30 0.05 0.01 0.02 0.00 0.02 -0.08 0.09 -0.00 -0.01 -0.01 0.12 -0.30 0.17 0.01 0.01 -0.18 -0.06 0.00 0.22 0.08 -0.28 -0.02 0.04 -0.10 0.11 -0.17 -0.18 -0.15 0.21 0.22 -0.13 0.18 0.17 -0.15 0.01 0.11 0.04 -0.16 -0.04 -0.17 -0.04 -0.09 0.06 -0.08 -0.02 0.11 -0.15 -0.12 -0.12 0.03 0.06 -0.13 -0.11 -0.24 0.10 -0.03 0.11 -0.25 -0.04 0.05 0.02 0.06 -0.01 0.05 -0.01 -0.12 -0.04 -0.04 -0.10 0.06 -0.07 -0.30 -0.06 -0.01 0.01 -0.03 0.01 0.03 -0.20 0.05 -0.10 -0.01 -0.17 0.33 -0.24 -0.01 -0.06 0.20 0.13 -0.02 -0.02 0.20 -0.08 0.06 0.19 -0.08 0.04 -0.04 -0.05 -0.02 0.09 0.07 0.10 0.05 0.28 0.10 0.06 0.19 0.02 0.03 -0.14 0.06 -0.05 -0.16 -0.00 0.02 -0.01 -0.02 -0.04 -0.41 0.03 -0.02 0.12 -0.00 -0.10 -0.55 -0.05 0.05 0.20 0.08 -0.04 -0.09 -0.04 -0.00 -0.01 0.05 -0.02 -0.02 0.19 0.00 -0.07 0.04 0.03 0.22 0.17 -0.03 -0.10 -0.05 0.04 -0.07 0.01 0.01 0.01 -0.06 0.09 -0.10 -0.04 0.07 -0.08 -0.10 -0.07 -0.06 -0.05 -0.13 0.08 -0.02 -0.12 -0.01 -0.02 -0.01 0.03 0.00 0.00 -0.00 0.00 0.14 0.23 -0.02 -0.08 0.06 0.08 -0.13 -0.02 -0.10 -0.12 -0.04 0.11 0.10 -0.09 -0.02 -0.15 0.13 -0.08 0.24 -0.01 0.04 -0.20 0.05 -0.01 0.14 -0.10 0.09 0.36 0.16 0.23 -0.01 0.14 -0.02 0.01 0.03 0.00 0.03 0.04 -0.02 0.05 0.08 0.04 0.01 -0.05 0.01 -0.00 -0.01 0.10 -0.03 0.07 0.00 0.09 -0.11 0.08 0.02 0.02 -0.06 -0.06 0.00 0.49 0.12 -0.11 0.20 0.15 -0.01 -0.09 -0.00 0.08 -0.03 -0.08 -0.08 0.04 0.08 -0.25 0.03 -0.02 -0.02 0.11 -0.08 0.07 -0.05 -0.01 0.06 0.07 0.01 -0.01 0.11 -0.10 -0.04 -0.04 0.10 -0.05 -0.00 -0.08 -0.06 0.02 0.06 0.05 0.01 0.06 -0.27 -0.09 0.00 -0.08 -0.01 0.00 0.02 0.01 -0.02 -0.01 -0.01 -0.01 0.04 -0.01 -0.01 0.06 -0.02 0.02 -0.03 -0.02 0.03 -0.05 -0.02 0.03 -0.04 -0.02 0.02 -0.03 -0.01 0.01 -0.01 -0.48 -0.23 0.56 -0.12 -0.23 0.25 -0.01 0.01 -0.01 0.03 -0.04 0.00 0.04 -0.05 0.01 0.05 -0.01 0.01 -0.05 0.08 -0.02 -0.02 -0.06 0.01 -0.03 0.07 -0.00 -0.14 0.05 -0.01 -0.02 -0.05 0.02 -0.08 -0.02 -0.01 -0.06 0.01 -0.01 0.04 -0.03 0.01 0.16 -0.01 0.07 0.03 -0.02 -0.07 0.01 -0.02 -0.06 0.04 -0.02 -0.11 0.03 -0.02 -0.09 0.04 -0.04 0.06 0.04 -0.04 0.10 0.03 -0.04 0.09 0.01 -0.02 0.05 0.02 -0.01 -0.00 -0.41 0.22 0.63 -0.21 0.31 0.28 -0.02 0.01 -0.09 -0.02 -0.01 0.01 -0.02 0.12 0.52 -0.03 0.00 -0.01 0.01 -0.05 -0.06 0.02 0.01 -0.11 0.01 0.01 0.16 0.05 0.00 0.11 0.02 0.02 -0.03 0.06 0.12 0.48 0.02 -0.01 -0.03 -0.01 0.13 0.51 -0.03 0.00 -0.02 -0.01 0.00 0.02 -0.00 0.00 0.01 -0.01 0.01 0.04 -0.01 0.00 0.02 -0.01 0.01 -0.02 0.01 0.01 -0.01 -0.02 0.03 -0.04 -0.00 0.02 -0.02 -0.02 -0.01 -0.00 -0.18 -0.10 0.22 -0.06 -0.09 0.10 0.02 0.01 -0.04 0.00 -0.01 0.01 0.19 0.16 0.36 0.17 -0.03 -0.08 0.02 0.10 -0.02 -0.10 -0.14 0.02 -0.02 0.09 -0.06 -0.12 0.11 0.30 -0.08 -0.06 -0.05 -0.25 0.07 0.45 -0.07 0.08 0.13 0.04 0.03 0.13 -0.12 0.02 -0.08 0.06 -0.01 -0.09 0.04 -0.04 -0.10 0.06 -0.04 -0.13 0.01 -0.01 -0.01 0.03 -0.02 0.05 -0.06 0.01 -0.03 0.04 -0.12 0.16 -0.03 -0.05 0.03 0.07 0.07 0.01 0.13 -0.11 -0.23 0.14 -0.15 -0.10 -0.01 -0.01 0.09 0.03 -0.05 -0.02 -0.09 0.03 0.38 -0.09 -0.02 -0.13 -0.02 -0.04 0.04 0.06 0.08 0.02 0.01 -0.09 -0.16 0.08 0.11 0.55 0.04 -0.01 -0.08 0.13 0.11 0.34 0.03 0.04 0.27 -0.02 -0.07 -0.23 0.10 -0.02 0.06 0.00 -0.01 -0.01 0.09 0.02 -0.03 -0.01 0.06 0.16 0.12 -0.02 -0.10 -0.04 0.02 -0.05 0.00 0.00 0.03 -0.04 0.06 -0.04 -0.05 0.06 -0.07 -0.05 -0.06 -0.02 -0.05 0.12 0.06 -0.07 0.16 -0.03 -0.01 -0.00 -0.03 -0.02 0.04 0.01 -0.01 -0.10 -0.40 -0.00 0.01 0.05 0.00 0.02 0.10 0.01 -0.00 -0.03 0.00 -0.02 -0.06 -0.02 -0.12 -0.53 -0.00 -0.03 -0.12 0.01 0.06 0.25 0.00 0.02 0.07 -0.01 0.14 0.63 0.02 -0.01 0.01 0.00 -0.01 -0.02 0.03 0.00 -0.02 0.00 0.01 0.03 0.03 -0.01 -0.03 -0.01 0.00 -0.01 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.01 0.00 -0.01 0.03 -0.02 -0.01 0.04 -0.02 -0.01 -0.00 0.01 -0.00 0.01 0.00 -0.08 -0.08 0.00 -0.07 0.00 0.00 -0.06 0.04 -0.00 -0.00 -0.00 0.01 0.03 0.03 -0.03 -0.09 0.03 -0.00 0.01 -0.08 0.01 -0.02 0.00 -0.01 0.02 -0.01 0.01 -0.05 -0.11 0.04 0.06 0.11 -0.04 -0.01 0.01 0.05 -0.06 0.01 0.07 0.00 -0.02 -0.04 -0.07 0.02 0.08 -0.02 0.04 -0.06 -0.05 0.04 -0.03 -0.01 0.01 0.03 -0.08 0.09 -0.11 0.06 -0.01 -0.00 0.43 -0.30 0.41 0.42 -0.35 0.34 -0.03 -0.01 0.00 -0.01 -0.03 -0.01 0.08 0.00 0.05 0.08 -0.01 -0.01 -0.05 0.11 0.00 -0.07 -0.10 0.00 -0.04 -0.02 -0.00 -0.10 0.06 -0.14 -0.04 0.06 0.01 -0.09 -0.05 0.13 0.09 -0.00 0.00 -0.02 0.04 -0.10 -0.01 -0.09 0.05 -0.04 0.02 0.20 -0.23 0.16 0.42 -0.04 0.08 -0.05 -0.08 0.07 -0.03 -0.01 0.05 -0.15 -0.11 0.04 0.03 -0.01 -0.02 0.15 -0.27 0.26 -0.35 0.15 -0.13 -0.04 -0.27 0.05 -0.12 -0.10 0.12 -0.23 0.02 0.01 -0.02 -0.01 0.03 0.01 0.01 -0.07 -0.25 0.01 0.01 0.05 -0.01 -0.01 -0.11 -0.01 0.01 0.09 -0.01 0.00 0.03 0.02 0.14 0.58 -0.01 -0.01 -0.10 -0.01 -0.13 -0.50 0.01 0.01 0.03 -0.01 0.13 0.50 -0.01 -0.01 0.01 -0.00 -0.00 0.01 -0.01 0.02 0.03 -0.00 0.01 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.02 -0.01 0.01 -0.00 -0.01 -0.00 0.01 -0.02 0.03 -0.04 0.01 -0.01 0.00 -0.03 -0.01 -0.00 -0.01 0.00 -0.02 0.01 0.00 -0.01 0.00 0.00 0.00 0.01 0.15 0.63 0.00 -0.03 -0.11 -0.00 0.01 0.07 0.00 0.03 0.09 0.00 0.00 -0.00 -0.03 -0.10 -0.40 -0.00 -0.01 -0.04 -0.00 -0.12 -0.55 0.00 -0.00 -0.01 -0.02 0.05 0.25 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.10 0.11 -0.03 -0.10 0.02 -0.00 0.04 -0.06 0.00 0.01 0.03 -0.00 0.06 0.14 -0.01 0.01 -0.06 0.05 0.06 -0.13 0.02 -0.05 0.06 -0.04 -0.04 0.02 -0.01 0.05 -0.12 0.08 0.05 0.11 -0.09 -0.07 0.02 0.07 0.09 0.00 -0.03 -0.08 0.07 0.26 0.08 -0.00 0.01 0.08 -0.04 0.01 -0.10 -0.03 0.14 0.09 -0.17 0.33 -0.20 0.13 -0.19 0.02 -0.01 -0.09 -0.43 0.10 -0.14 -0.29 0.16 -0.36 -0.03 -0.02 0.08 0.02 -0.06 -0.02 0.15 -0.21 0.03 0.15 -0.05 0.01 -0.03 -0.09 0.02 0.05 0.12 -0.03 -0.04 -0.02 -0.00 -0.32 -0.22 0.07 -0.09 0.06 -0.01 -0.10 0.25 -0.05 -0.02 -0.01 -0.00 -0.39 -0.07 0.00 0.00 -0.01 0.03 -0.06 0.04 0.02 0.16 -0.09 -0.20 -0.06 -0.00 0.28 0.06 -0.02 0.17 0.08 -0.04 0.01 -0.09 -0.02 0.13 0.08 -0.11 0.30 -0.17 0.12 -0.16 0.00 0.02 -0.06 0.16 -0.03 0.10 0.12 -0.04 0.07 0.01 0.00 -0.02 -0.00 0.01 -0.00 -0.06 0.11 -0.00 -0.06 0.03 -0.01 0.01 0.09 -0.02 -0.04 -0.11 0.03 -0.00 -0.07 0.01 0.26 0.20 -0.08 0.04 0.03 -0.01 0.11 -0.23 0.04 0.02 -0.00 -0.00 0.27 0.13 -0.01 -0.02 -0.06 0.02 -0.08 0.06 -0.01 0.23 -0.15 -0.35 -0.08 -0.03 0.38 0.07 -0.04 0.27 0.06 -0.07 0.03 0.00 -0.08 0.24 0.04 -0.04 0.21 -0.11 0.14 -0.12 -0.03 0.04 -0.06 0.15 -0.05 0.07 0.13 -0.07 0.09 0.01 0.01 -0.03 -0.01 0.03 0.01 0.01 0.06 -0.02 0.00 0.01 -0.00 0.01 -0.03 0.01 -0.00 0.02 -0.01 -0.01 0.02 -0.00 -0.04 -0.06 0.02 0.01 -0.02 0.00 -0.09 0.08 -0.02 -0.01 0.02 0.01 0.06 -0.00 0.00 0.00 -0.01 -0.00 0.06 0.07 -0.01 -0.09 -0.18 -0.14 0.10 -0.24 -0.27 -0.25 0.05 0.40 -0.04 -0.07 -0.06 0.22 -0.16 0.40 -0.10 0.29 -0.09 -0.00 0.28 -0.16 0.01 -0.02 0.03 -0.02 0.05 -0.16 -0.14 0.02 0.15 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.06 0.57 -0.14 -0.00 0.07 -0.01 0.02 -0.11 0.03 -0.04 0.01 -0.00 -0.07 0.02 -0.03 -0.11 -0.18 0.02 0.09 -0.08 0.02 -0.33 0.21 -0.05 -0.04 0.07 -0.01 0.40 0.05 0.01 -0.13 0.01 0.22 -0.01 -0.03 0.03 -0.01 0.10 0.14 -0.03 0.10 0.03 0.08 -0.01 -0.16 0.00 -0.01 0.00 0.02 -0.01 0.02 0.01 -0.03 0.02 0.00 0.01 -0.01 0.02 0.01 -0.02 0.16 -0.01 0.09 0.21 -0.01 0.01 0.04 0.01 -0.10 0.01 -0.03 -0.02 -0.08 -0.45 0.11 -0.03 -0.05 0.01 0.02 0.11 -0.01 0.00 -0.02 0.00 0.07 0.04 -0.04 0.11 0.15 -0.08 -0.05 0.02 -0.00 0.24 -0.19 0.05 0.09 -0.06 0.02 -0.42 -0.14 0.01 -0.16 0.27 0.27 -0.01 0.02 -0.03 0.05 -0.05 -0.12 -0.00 -0.06 0.08 -0.01 -0.02 0.17 -0.02 -0.00 -0.00 0.02 -0.01 0.02 -0.03 0.08 -0.07 0.02 0.01 0.01 -0.02 -0.02 0.02 -0.10 0.05 -0.18 -0.29 0.04 -0.08 0.04 -0.00 -0.07 0.05 -0.14 -0.06 0.05 0.24 -0.06 0.02 0.03 -0.01 -0.07 0.01 -0.00 -0.03 -0.03 0.01 0.03 0.01 -0.00 -0.36 -0.11 0.05 0.00 -0.03 0.01 -0.08 0.00 0.01 0.17 0.02 -0.01 -0.28 -0.16 0.02 0.02 -0.01 -0.03 -0.06 0.00 -0.01 0.12 0.02 -0.09 -0.08 0.09 0.27 0.12 -0.04 -0.00 -0.08 -0.05 0.04 0.26 -0.10 0.07 -0.12 0.30 -0.36 0.23 -0.00 0.17 0.02 0.03 -0.03 -0.16 -0.04 0.06 0.14 0.01 -0.23 -0.01 -0.00 0.01 -0.00 0.00 0.00 0.06 0.55 -0.13 0.00 0.06 -0.01 -0.02 -0.01 0.00 0.06 -0.03 0.01 -0.00 0.00 -0.00 -0.20 -0.09 0.03 -0.04 -0.01 0.00 0.55 -0.38 0.09 -0.03 0.01 -0.00 -0.30 -0.12 0.03 -0.01 -0.00 0.01 0.02 0.01 0.00 -0.04 -0.03 0.00 0.03 -0.06 -0.10 -0.06 0.02 0.06 0.03 0.01 -0.00 -0.08 0.03 -0.04 0.04 -0.07 0.09 -0.05 -0.02 -0.03 -0.02 -0.02 0.00 0.04 0.01 -0.02 -0.05 0.01 0.05 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.13 0.03 -0.00 -0.00 -0.00 0.03 -0.00 0.00 0.05 0.00 -0.00 -0.00 -0.02 0.00 0.24 0.08 -0.03 -0.06 -0.00 0.00 0.25 -0.14 0.03 -0.10 0.02 -0.01 -0.15 -0.05 0.00 -0.02 -0.00 -0.00 -0.01 -0.09 0.02 -0.00 0.20 0.26 -0.04 0.24 0.02 0.15 -0.03 -0.39 -0.01 -0.09 -0.04 0.19 -0.16 0.37 -0.08 0.29 0.00 0.02 0.28 -0.15 0.05 0.11 0.02 -0.02 0.02 0.03 0.16 -0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.03 0.19 -0.04 0.01 0.00 -0.00 -0.02 0.01 0.00 -0.03 -0.00 0.00 -0.01 0.01 0.01 -0.23 -0.08 0.02 0.04 0.02 0.00 -0.07 0.02 -0.01 0.05 -0.05 -0.03 0.10 0.03 -0.04 0.02 0.02 -0.03 -0.05 -0.06 -0.11 0.19 0.07 -0.11 -0.08 0.12 0.32 0.27 -0.11 -0.19 0.01 0.03 -0.10 -0.12 0.04 0.06 -0.00 0.02 0.13 -0.15 0.14 -0.21 0.01 -0.00 0.18 0.05 0.05 -0.25 -0.34 -0.06 0.45 -0.01 -0.00 0.01 0.00 -0.01 -0.00 0.13 0.36 -0.08 0.09 0.03 -0.01 -0.07 -0.00 0.00 -0.02 0.00 -0.00 -0.12 -0.23 0.05 -0.14 -0.03 0.02 0.01 0.12 -0.03 0.03 -0.03 0.00 -0.00 -0.13 0.05 0.50 0.34 -0.06 0.11 0.30 -0.06 0.02 -0.02 0.05 -0.09 0.05 0.16 0.01 0.05 -0.10 -0.08 0.04 -0.09 -0.01 -0.05 0.03 0.10 -0.07 0.09 -0.02 0.04 -0.05 0.05 0.02 0.04 -0.01 0.06 -0.10 0.02 -0.01 0.03 -0.31 -0.03 -0.08 -0.02 -0.02 0.04 0.01 -0.07 -0.02 0.01 0.03 -0.00 0.00 -0.02 0.00 0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.04 0.03 -0.01 0.20 0.07 -0.02 0.02 -0.01 0.00 -0.08 0.03 -0.01 0.04 0.04 0.01 -0.25 -0.13 0.04 0.00 -0.02 -0.01 -0.01 -0.02 0.05 -0.03 0.05 0.12 -0.02 0.09 -0.01 -0.03 0.01 -0.08 0.00 -0.02 0.05 0.04 -0.00 -0.05 0.00 0.01 -0.08 0.06 -0.05 0.09 0.01 0.02 -0.13 0.22 0.06 -0.25 -0.46 -0.09 0.66 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.09 0.28 -0.06 0.04 -0.05 0.01 0.03 -0.04 0.01 -0.01 -0.01 0.00 -0.20 0.02 0.00 0.69 0.23 -0.08 0.05 0.01 -0.00 -0.07 0.03 -0.01 0.01 0.02 -0.02 -0.38 -0.17 0.03 0.06 0.06 -0.02 -0.02 0.02 -0.03 0.06 -0.04 -0.12 -0.01 -0.07 0.09 0.07 -0.02 0.08 -0.02 0.02 -0.02 -0.01 0.02 -0.05 -0.01 0.03 -0.04 0.00 -0.01 0.00 0.03 -0.05 0.06 -0.03 -0.01 0.11 0.16 0.04 -0.20 -0.01 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.20 0.03 0.04 0.20 -0.05 -0.20 -0.11 0.03 0.18 -0.13 0.03 0.13 -0.19 0.04 0.47 0.17 -0.05 -0.19 -0.07 0.02 -0.30 0.21 -0.05 -0.02 0.27 -0.08 0.11 0.05 -0.01 0.01 0.09 -0.00 -0.04 0.03 -0.02 0.08 -0.03 -0.13 -0.02 -0.10 0.11 0.15 -0.05 0.10 -0.02 0.05 -0.01 0.02 0.04 -0.09 0.01 -0.07 -0.03 0.03 -0.06 0.04 0.07 -0.08 0.04 -0.13 0.05 -0.17 -0.18 0.01 0.16 -0.00 -0.01 0.01 0.01 -0.02 -0.01 -0.00 -0.08 0.02 0.00 -0.01 0.00 0.06 -0.01 -0.00 -0.00 0.07 -0.02 -0.03 0.04 -0.01 -0.08 -0.07 0.02 -0.05 -0.01 0.00 0.35 -0.18 0.04 -0.16 -0.06 0.02 0.32 0.15 -0.03 -0.01 -0.01 0.01 -0.09 0.05 0.00 0.20 0.00 -0.19 -0.07 -0.11 0.22 0.25 -0.08 0.17 -0.11 0.05 0.02 0.28 0.00 -0.19 -0.07 -0.03 -0.27 0.22 -0.06 0.21 0.22 -0.07 -0.03 -0.01 0.04 -0.09 -0.05 0.01 0.17 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.02 0.01 -0.00 -0.01 -0.00 0.00 0.02 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.03 -0.02 -0.07 -0.26 0.19 0.27 -0.01 0.12 0.40 -0.21 -0.04 0.32 -0.03 0.04 -0.06 0.17 -0.05 0.31 0.00 -0.20 0.36 0.29 -0.25 0.20 -0.00 0.00 -0.02 -0.01 0.00 -0.00 0.02 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.12 -0.03 -0.02 -0.03 0.01 -0.00 0.03 -0.01 0.02 -0.02 0.00 0.03 -0.02 0.00 -0.04 0.02 -0.00 0.02 0.03 -0.01 -0.13 0.09 -0.02 -0.02 -0.01 0.00 -0.13 -0.03 0.01 -0.01 0.00 0.01 -0.03 0.02 0.07 0.22 -0.18 -0.24 -0.00 -0.12 -0.35 0.19 0.04 -0.29 -0.04 0.02 -0.07 0.09 -0.03 0.22 -0.03 -0.07 0.45 0.40 -0.17 0.22 0.00 0.01 0.00 0.03 -0.06 0.01 -0.08 -0.03 -0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.09 0.02 0.01 0.02 -0.01 0.01 -0.01 0.00 -0.03 0.01 -0.00 -0.02 -0.00 0.00 -0.01 -0.02 0.00 0.00 -0.01 0.00 0.07 -0.07 0.02 0.02 0.01 -0.00 0.02 -0.01 0.00 0.01 0.01 -0.00 -0.02 -0.02 0.02 0.39 0.16 -0.05 -0.03 0.23 -0.31 -0.02 -0.04 0.16 0.01 0.05 -0.02 0.04 -0.03 0.45 0.05 -0.20 -0.28 -0.31 -0.43 -0.00 -0.00 0.00 0.00 -0.04 -0.01 -0.03 0.05 -0.01 0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.44 -0.10 -0.06 -0.12 0.03 -0.03 0.06 -0.01 0.11 -0.03 0.01 0.10 -0.01 0.00 -0.00 0.09 -0.02 0.01 0.07 -0.02 -0.33 0.30 -0.07 -0.09 -0.05 0.02 -0.18 0.01 0.00 -0.02 -0.01 0.00 -0.02 -0.01 -0.03 0.07 0.36 0.24 0.00 -0.09 -0.07 0.20 -0.14 0.37 0.01 -0.00 0.02 -0.02 -0.00 0.02 0.01 0.02 -0.20 -0.16 -0.03 -0.05 0.02 0.00 -0.02 -0.03 0.03 -0.01 0.02 0.02 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.13 -0.03 -0.01 -0.03 0.01 -0.02 0.01 -0.00 0.03 0.00 -0.00 0.02 0.01 -0.00 0.06 0.05 -0.01 -0.02 0.01 -0.00 -0.05 0.06 -0.01 -0.01 -0.02 0.00 0.01 0.02 -0.01 -0.01 -0.00 0.00 0.02 -0.04 0.01 0.29 -0.09 -0.19 -0.05 0.59 -0.03 -0.51 0.10 0.02 -0.02 0.00 0.01 0.24 -0.01 -0.23 0.01 -0.17 0.05 0.06 0.25 -0.04 0.01 -0.02 0.01 -0.00 0.00 0.01 -0.01 0.01 -0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.13 0.03 0.01 0.04 -0.01 0.02 -0.02 0.00 -0.02 -0.00 0.00 -0.02 -0.00 0.00 -0.03 -0.04 0.01 0.01 -0.01 0.00 0.06 -0.07 0.02 0.02 0.02 -0.00 0.03 -0.01 0.00 0.01 -0.00 -0.01 -0.02 -0.02 -0.02 0.33 0.38 0.14 -0.02 0.10 -0.29 0.11 -0.13 0.40 0.00 -0.03 -0.00 -0.21 0.04 -0.22 -0.06 0.27 0.26 0.27 0.17 0.06 -0.02 -0.02 -0.00 0.12 -0.03 0.10 -0.14 0.01 -0.11 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.08 0.02 0.00 0.02 -0.01 0.02 -0.00 0.00 -0.02 -0.01 0.00 -0.01 -0.01 0.00 -0.05 -0.03 0.01 0.02 -0.00 0.00 0.01 -0.03 0.01 0.02 0.02 -0.01 -0.08 -0.05 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.14 0.12 0.02 -0.21 -0.14 0.25 -0.08 0.06 -0.03 0.01 0.01 0.59 -0.07 -0.15 0.08 -0.54 0.03 -0.06 0.32 -0.13 -0.04 0.02 0.01 0.01 -0.01 0.01 -0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.03 -0.09 0.02 -0.01 0.02 -0.00 0.05 0.02 -0.01 -0.02 -0.02 0.00 -0.02 -0.07 0.02 -0.18 -0.08 0.02 0.06 0.02 -0.01 -0.05 -0.01 0.00 -0.04 0.03 -0.01 -0.16 -0.07 0.02 0.02 0.04 0.00 0.00 -0.00 0.00 0.05 0.02 -0.01 -0.01 0.07 -0.03 -0.05 -0.00 0.04 0.00 0.00 0.00 -0.07 0.03 -0.11 -0.01 0.06 0.09 0.09 0.05 0.03 -0.02 -0.03 -0.02 -0.47 0.16 -0.34 0.58 0.04 0.38 -0.00 -0.00 0.01 0.01 -0.01 -0.00 -0.09 -0.20 0.05 -0.05 0.06 -0.01 0.11 0.04 -0.01 -0.01 -0.07 0.02 -0.02 -0.11 0.02 -0.37 -0.17 0.05 0.11 0.04 -0.01 -0.16 0.03 -0.01 -0.11 0.09 -0.02 -0.38 -0.17 0.04 -0.00 0.01 -0.01 0.01 -0.00 -0.02 -0.06 -0.09 -0.06 -0.01 0.13 0.19 -0.19 0.05 -0.01 -0.00 0.01 0.00 -0.00 -0.01 0.04 0.00 0.01 -0.14 -0.09 -0.05 -0.02 0.06 -0.02 0.03 0.30 -0.07 0.23 -0.38 -0.01 -0.27 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.19 -0.25 0.06 -0.11 0.26 -0.06 0.16 -0.07 0.01 0.29 -0.26 0.06 -0.21 0.20 -0.04 -0.14 -0.21 0.05 -0.15 0.12 -0.03 -0.45 0.26 -0.06 0.07 -0.25 0.06 -0.04 0.19 -0.05 0.02 -0.02 0.00 -0.00 0.00 0.01 0.01 -0.01 -0.01 -0.00 -0.02 -0.04 0.02 0.01 -0.03 -0.01 0.00 -0.00 0.03 -0.01 0.04 -0.01 -0.01 -0.00 0.01 -0.03 0.02 -0.00 0.03 -0.02 -0.02 -0.00 -0.03 0.16 -0.00 0.07 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.09 0.30 -0.07 -0.13 -0.24 0.06 0.29 0.18 -0.04 0.15 0.07 -0.02 -0.19 -0.13 0.03 -0.42 -0.11 0.03 -0.29 -0.16 0.04 0.03 0.18 -0.05 0.17 0.23 -0.06 0.41 0.12 -0.04 0.03 0.04 -0.01 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.02 -0.03 0.03 -0.01 -0.01 0.01 0.00 -0.01 -0.01 0.01 -0.01 0.01 -0.02 0.05 0.01 0.01 -0.01 -0.03 -0.01 0.01 -0.01 -0.05 -0.02 -0.03 -0.02 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.02 0.00 -0.02 -0.00 -0.00 0.00 0.01 -0.02 0.00 -0.02 -0.01 -0.01 0.02 0.04 -0.01 -0.00 -0.00 -0.00 0.02 0.03 0.02 -0.02 -0.01 0.00 0.01 -0.01 -0.01 -0.00 -0.02 -0.00 0.07 0.83 0.16 0.02 -0.51 -0.09 0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.04 -0.03 0.11 -0.19 0.21 -0.39 -0.05 -0.02 0.19 0.76 0.16 -0.00 0.02 -0.01 -0.05 -0.28 -0.04 0.15 0.03 0.00 -0.05 0.04 0.11 0.00 -0.00 -0.00 -0.00 -0.02 -0.00 0.00 0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.02 0.01 0.00 0.00 0.00 0.00 -0.02 -0.01 0.04 -0.07 0.08 -0.13 -0.02 -0.00 0.07 0.29 0.07 0.01 -0.05 0.02 0.13 0.77 0.10 -0.36 -0.07 -0.01 0.14 -0.11 -0.29 0.00 -0.00 0.00 0.00 -0.05 -0.01 -0.00 0.04 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.02 -0.02 0.05 0.00 0.00 0.00 0.01 0.01 -0.05 -0.06 -0.04 0.07 0.49 0.06 0.74 0.12 0.02 -0.18 0.11 0.35 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.07 -0.06 0.01 -0.13 0.18 -0.23 0.81 0.07 0.03 0.10 0.46 0.10 0.00 0.00 0.00 -0.01 -0.04 -0.01 -0.04 -0.01 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.03 0.04 0.01 0.00 0.00 -0.00 -0.01 -0.00 0.07 -0.02 -0.06 0.03 0.10 0.00 -0.52 -0.10 -0.02 -0.34 0.26 0.72 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.06 0.05 -0.05 0.33 -0.54 0.64 0.41 0.05 0.01 -0.04 -0.11 -0.03 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.03 0.01 0.00 0.02 -0.01 -0.04 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.55 -0.06 0.01 -0.05 0.01 -0.00 0.03 -0.06 0.01 0.02 0.02 -0.01 -0.00 -0.00 0.00 -0.30 0.65 -0.13 0.00 -0.01 0.00 -0.22 -0.28 0.07 0.00 0.00 -0.00 -0.06 0.15 -0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.14 0.01 -0.00 0.01 0.00 -0.00 0.02 -0.04 0.01 -0.03 -0.05 0.01 -0.00 -0.00 0.00 -0.22 0.49 -0.10 -0.01 0.03 -0.01 0.41 0.54 -0.13 -0.00 -0.00 0.00 0.17 -0.40 0.09 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.64 -0.07 0.01 -0.06 0.01 -0.00 -0.01 0.03 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.14 -0.31 0.06 -0.02 0.05 -0.01 -0.02 -0.02 0.00 -0.00 -0.00 0.00 0.27 -0.61 0.14 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.50 -0.06 0.01 -0.05 0.01 -0.00 -0.01 0.02 -0.00 -0.03 -0.04 0.01 0.00 0.00 -0.00 0.08 -0.18 0.04 0.02 -0.04 0.01 0.37 0.49 -0.12 0.00 0.00 -0.00 -0.22 0.50 -0.12 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 1 6 6 6 6 1 6 1 6 1 5 6 1 1 1 6 1 1 1 7 1 1 9 9 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 1 6 6 6 6 1 6 1 6 1 5 6 1 1 1 6 1 1 1 7 1 1 9 9 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 11.00931 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 14.00307 1.00783 1.00783 18.99840 18.99840 171.10309 1767.99570 2011.17240 3208.76209 0.28546 0.95196 0.11083 0.92248 -0.30428 0.23759 -0.2599 -0.03442 0.96502 asymmetric 1 0.04899 0.04307 0.02699 1.02078 0.89736 0.56244 499303.4 110.01 137.96 168.87 199.25 268.98 307.85 357.60 372.98 410.08 478.47 524.05 548.16 701.91 734.33 777.37 824.28 836.80 947.87 1024.23 1079.29 1123.51 1144.05 1164.92 1303.15 1318.05 1415.17 1421.76 1475.17 1528.98 1543.92 1546.89 1602.96 1634.85 1675.88 1699.04 1715.44 1743.48 1755.94 1808.58 1862.80 1889.10 1914.26 1930.45 2086.15 2122.83 2138.56 2144.18 2153.67 2165.37 2189.69 2194.97 2204.77 2367.06 2414.24 3722.75 4351.93 4360.37 4476.00 4479.03 4536.46 4554.12 4581.91 4594.87 4611.44 4625.75 0.190175 0.201571 0.202516 0.153138 -591.225428 -591.214031 -591.213087 -591.262465 126.488 43.626 103.925 0.000 0.000 0.000 0.889 2.981 41.319 0.889 2.981 30.812 124.711 37.664 31.793 1 0.599 1.965 3.980 2 0.603 1.952 3.536 3 0.608 1.935 3.143 4 0.614 1.915 2.825 5 0.632 1.858 2.258 6 0.644 1.820 2.010 7 0.662 1.765 1.741 8 0.668 1.747 1.667 9 0.683 1.701 1.503 10 0.714 1.610 1.248 11 0.738 1.546 1.104 12 0.751 1.511 1.035 13 0.844 1.277 0.689 14 0.866 1.227 0.633 15 0.895 1.161 0.565 16 0.929 1.090 0.499 17 0.938 1.071 0.482 0.364478e-70 -70.438328 -162.190245 0.108606e+18 17.035855 39.226507 0.342651e-84 -84.465148 -194.488192 1 0.269489e+01 0.430541 0.991357 2 0.214205e+01 0.330829 0.761762 3 0.174218e+01 0.241093 0.555138 4 0.146885e+01 0.166978 0.384481 5 0.107172e+01 0.030083 0.069268 6 0.926758e+00 -0.033034 -0.076063 7 0.785790e+00 -0.104694 -0.241066 8 0.749531e+00 -0.125210 -0.288307 9 0.672755e+00 -0.172143 -0.396374 10 0.560962e+00 -0.251066 -0.578101 11 0.501802e+00 -0.299467 -0.689549 12 0.474241e+00 -0.324001 -0.746041 13 0.340507e+00 -0.467873 -1.077318 14 0.319039e+00 -0.496156 -1.142441 15 0.293152e+00 -0.532906 -1.227062 16 0.267868e+00 -0.572078 -1.317259 17 0.261579e+00 -0.582397 -1.341020 0.102102e+04 3.009035 6.928560 1 0.324088e+01 0.510663 1.175845 2 0.269963e+01 0.431304 0.993114 3 0.231251e+01 0.364084 0.838334 4 0.205162e+01 0.312097 0.718630 5 0.168262e+01 0.225986 0.520352 6 0.155303e+01 0.191181 0.440210 7 0.143138e+01 0.155754 0.358638 8 0.140100e+01 0.146437 0.337185 9 0.133821e+01 0.126525 0.291334 10 0.125145e+01 0.097414 0.224304 11 0.120838e+01 0.082204 0.189283 12 0.118913e+01 0.075230 0.173224 13 0.110493e+01 0.043336 0.099786 14 0.109312e+01 0.038666 0.089032 15 0.107960e+01 0.033264 0.076592 16 0.106723e+01 0.028259 0.065069 17 0.106429e+01 0.027060 0.062308 0.100000e+01 0.000000 0.000000 0.879712e+08 7.944341 18.292520 0.120915e+07 6.082480 14.005427 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 1.2375 -5.8523 1.6454 6.2038 -50.4475 -85.6278 -74.7541 -28.1813 9.2405 1.4253 19.8290 -15.3513 -4.4777 -28.1813 9.2405 1.4253 -691.4029 -207.1456 8.7299 -365.0773 -180.3555 53.4174 -301.4699 -55.6521 9.9100 14.4009 -7007.4929 -1502.6210 -341.1342 -1207.6297 342.8535 -870.7486 111.7500 85.2160 121.5442 -1954.7978 -1485.1331 -292.8646 126.6851 71.5431 -238.1429 0 -591.4156025 4.018E-9 2.955E-6 0.1901746 0.2015714 -591.2140311 -591.2130869 -591.2624649 14.7423514,-11.4133274,-3.329024,-20.9521185,6.87007,1.0596982 C01 [X(C8H12B1F2N1)] 0.4868638 -2.3024563 0.6473414 -0.1188342 0.0178811 -0.0012539 0.0176247 0.0884165 0.0149138 -0.0010114 0.0181484 0.1519626 0.0607859 -0.0311871 0.0036113 -0.0035451 -0.1126577 -0.0098842 0.0046112 -0.016499 -0.1385718 0.0452694 -0.0422265 0.0030049 -0.1141097 0.1261531 -0.0579662 0.0159398 -0.0657022 -0.1110151 0.0479897 0.0411117 -0.014399 0.0347697 0.066627 -0.0503775 -0.0053147 -0.0520284 -0.1432219 -0.5107166 -0.132479 -0.0011145 0.0012015 -0.4577183 0.0747789 -0.0896347 0.0616091 -0.2209548 0.0491326 0.0572526 -0.0104277 0.0854124 -0.0505819 0.0432614 -0.0121703 0.0436688 0.1285692 -0.2202818 -0.0269378 0.0175197 -0.0915106 -0.0345458 -0.0338782 0.0828221 -0.0397489 -0.1220483 0.0069373 -0.085353 0.0227393 -0.0977557 -0.0275011 0.0434676 0.0148799 0.0501535 0.1420024 0.8658847 -0.0309871 -0.0210541 -0.1042437 0.1892155 -0.0036717 -0.0490882 0.0004154 -0.1182782 0.0665891 0.0868351 -0.0161583 0.0768013 -0.0347418 0.0453545 -0.015012 0.0463723 0.1398535 1.6883535 -0.1462952 -0.1621507 0.0605521 2.0249688 -0.1192656 -0.0843276 -0.3748564 1.640712 0.2204172 -0.0292325 -0.1617638 0.0267207 0.2721568 0.1420819 -0.3156114 0.2658565 0.363528 0.0767589 0.0444671 -0.0551297 0.0306525 0.0479159 0.069211 -0.0278537 0.0137912 -0.0056541 -0.1792502 0.0097674 0.0387743 -0.0218017 0.0810738 -0.0332206 -0.0114639 -0.0368748 0.0576098 0.0449792 -0.0782795 0.0074331 0.007711 -0.1788049 -0.1043645 0.059975 -0.0291375 0.0217156 0.1809682 -0.0812088 0.1472467 -0.1340534 0.3779085 -0.1337615 0.2378346 -0.234269 0.3163407 0.06409 -0.058047 -0.0282427 0.0158172 -0.1963451 0.0386143 -0.0512355 -0.0374566 0.0177078 -0.1671833 0.0129755 -0.0496626 -0.0379386 0.061852 0.0215242 0.0028926 0.0344634 0.0806363 0.0707052 0.0308284 0.0918879 0.0450088 0.0411402 -0.047291 0.0381471 -0.0059222 -0.063783 -0.6974638 0.0258402 0.0363385 0.1667861 -1.2795961 -0.0019831 0.1072404 -0.1079613 -0.4276549 -0.3566775 0.2396447 -0.1500595 0.1374943 -0.6775122 0.0743534 -0.156362 0.1094569 -0.1292714 -0.0516047 0.0305149 -0.0664662 -0.1039415 1.7204732 0.0184699 -0.07909 0.1881185 -0.0202282 -0.6304116 -0.1421083 0.3145761 -0.126889 -0.6275207 0.1646644 0.2468062 0.3441069 -1.0665971 -0.5564375 0.2872233 0.054751 0.1292368 -1.4203759 -0.155031 0.0870266 -0.1757044 -0.493359 155.1861504|-3.0168101|147.5148039|-1.2752944|-10.5611858|94.7119475 -0.000000190 0.000001070 0.000000489 0.000000002 0.000000826 0.000000590 -0.000000330 0.000000402 0.000002740 -0.000000258 0.000000280 -0.000001070 0.000000795 0.000000330 0.000000385 0.000000826 0.000001523 0.000002390 -0.000000159 0.000000071 -0.000000110 -0.000000660 0.000000087 -0.000002076 -0.000000813 -0.000001776 -0.000003560 -0.000000526 -0.000000938 -0.000002659 -0.000001102 0.000013160 0.000002443 -0.000004016 -0.000000253 -0.000002554 0.000004982 -0.000004092 0.000001507 0.000000030 -0.000000472 0.000000347 -0.000000993 0.000001029 -0.000002135 0.000001872 -0.000000457 -0.000001862 -0.000000321 -0.000001800 -0.000003315 -0.000000192 -0.000001818 -0.000000571 -0.000000959 -0.000003389 -0.000000994 0.000001305 0.000006075 -0.000001287 -0.000000015 -0.000002054 -0.000000786 0.000000006 -0.000006291 0.000003599 -0.000002506 0.000005876 0.000009042 0.000003222 -0.000007390 -0.000000555 158.90010639999997 AuxInfo=1/0/N:12,16,2,4,3,7,5,9,11,23,24,20;21;22/E:(1,2)(10,11);;/CRV:3.3,4.3,5.3,6.3,7.3,8.3;;/rA:24nHC3C3C3C3HC3HC3HBCHHHCHHHNH0H0FF/rB:s1;s2;s2;s3;s3;s4;s4;s5s7;s7;s5;;s12;s12;s12;;s16;s16;s16;s9s12s16;;;s11;s11;/rC:.3138,.4747,.1246;1.3907,.3502,.1372;2.2199,1.4345,-.1204;1.9436,-.8942,.4216;3.6102,1.2983,-.1164;1.7821,2.4071,-.3203;3.3231,-1.0541,.4438;1.3005,-1.7425,.6276;4.142,.0358,.1673;3.7518,-2.0237,.6704;4.5678,2.5356,-.3788;6.1441,-.4538,-1.1191;5.746,.1968,-1.8968;7.2299,-.3418,-1.0868;5.896,-1.4956,-1.3558;6.1464,-.8363,1.2848;5.9814,-1.9135,1.1642;7.2225,-.6566,1.3252;5.6977,-.5091,2.2232;5.584,-.0601,.18;5.8047,2.292,.4916;5.8228,1.4278,.3799;5.1563,2.643,-1.619;4.1997,3.7422,.153;