Gaussian 16 GINC-IRENE3270 ZOUBRITL MeQHBCN2 TS1 ES64L-G16RevC.01 8-Mar-2021 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 RwB97XD GenECP FTS # opt=(calcfc,ts,maxstep=10,noeigentest) freq wb97xd/genecp scrf=(solvent=toluene,pcm) nosymm pop=(regular,orbitals=20,chelpg) optcyc=300 scfcyc=300 140.898 0 1 AuxInfo=1/0/N:1,2,14,16,4,8,15,17,7,6,5;9/E:(3,4)(7,8);/CRV:2.3,3.2,4.2,5.3,6.4,7.1,8.1,9.2,10.2;/rA:17nCC3HC3NN2N2B4H0HHHHC2N1C2N1/rB:;s2;s2;s1s2;s5;s4s6;s4;;s8;s1;s1;s1;s8;s14;s8;s16;/rC:1.5986,-.1021,-.0437;-.2973,-1.6096,.671;.3361,-2.3717,1.0917;-1.6563,-1.4829,.56;.2029,-.488,.097;-.7578,.3073,-.3517;-1.8701,-.2956,-.0709;-3.0496,-2.1561,.8667;-3.3191,-.6631,.0748;-3.955,-1.229,.3527;1.6293,.8078,-.638;2.0305,.0824,.9395;2.1456,-.8952,-.5517;-3.4917,-2.192,2.456;-3.8025,-2.2173,3.5733;-3.414,-3.4917,-.0309;-3.6702,-4.4308,-.6619; /ccc/products/gaussian-16-C.01/system/default/g16/g16 Output=MeQHBCN2_TS1.log nprocshared=64 mem=30GB chk=MeQHBCN2_TS1.chk # opt=(calcfc,ts,maxstep=10,noeigentest) freq wb97xd/genecp scrf=(solv 1/5=1,6=300,8=10,10=4,11=1,18=20,26=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=2,72=13,74=-58,140=1/1,2,3 4//1 5/5=2,7=300,38=5,53=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 6/15=8,20=3,28=1,96=20/1,2 7/10=1,25=1,30=1/1,2,3,16 1/5=1,6=300,8=10,10=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=2,16=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=10,11=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 MeQHBCN2 TS1 Add virtual bond connecting atoms H10 and H9 Dist= 1.69D+00. Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 1 1 1 1 2 2 2 4 4 5 6 8 8 8 9 14 16 5 11 12 13 3 4 5 7 8 6 7 10 14 16 10 15 17 1.4549 1.0872 1.0896 1.0892 1.0765 1.3694 1.3557 1.3614 1.5775 1.3254 1.296 1.394 1.65 1.65 0.8954 1.16 1.16 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 5 5 5 11 11 12 3 3 4 2 2 7 1 1 2 5 4 4 4 4 10 10 14 8 1 1 1 1 1 1 2 2 2 4 4 4 5 5 5 6 7 8 8 8 8 8 8 10 11 12 13 12 13 13 4 5 5 7 8 8 2 6 6 7 6 10 14 16 14 16 16 9 107.5699 109.7461 109.492 109.906 109.8944 110.1894 132.9291 122.2809 104.79 105.9113 145.2126 108.8761 127.9065 120.2286 111.8602 105.6444 111.794 102.6034 115.6699 115.7684 101.28 101.2056 116.562 94.2115 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A25 A26 A27 A28 8 8 8 8 14 16 14 16 15 17 15 17 12 13 12 13 -1 -1 -2 -2 180.0 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 180.0 180.0 180.0 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 11 11 12 12 13 13 3 3 5 5 3 3 4 4 2 8 2 2 2 7 7 7 1 2 5 4 14 16 1 1 1 1 1 1 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 5 5 6 8 8 8 5 5 5 5 5 5 4 4 4 4 5 5 5 5 7 7 8 8 8 8 8 8 6 6 7 10 10 10 2 6 2 6 2 6 7 8 7 8 1 6 1 6 6 6 10 14 16 10 14 16 7 7 4 9 9 9 174.5689 -6.2894 -65.8858 113.256 55.181 -125.6772 -179.9701 -0.0588 -0.0363 179.875 -0.805 179.994 179.2523 0.0513 0.011 -179.9356 179.9573 70.6981 -70.8315 -0.1329 -109.3921 109.0783 -179.3153 -0.0449 0.02 0.1557 119.972 -119.7398 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 14 out of a maximum of 102 All quantities printed in internal units (Hartrees-Bohrs-Radians) -0.14914 0.00038 0.00423 0.00530 0.01045 0.01612 0.02770 0.03800 0.04481 0.04878 0.05204 0.05446 0.05609 0.05769 0.06024 0.06060 0.06999 0.08097 0.08444 0.09218 0.10233 0.13492 0.13523 0.15017 0.15933 0.16716 0.18138 0.19837 0.22620 0.25648 0.27622 0.29192 0.34731 0.34938 0.35741 0.36871 0.38098 0.40502 0.42843 0.45114 0.52968 0.58344 0.64706 1.21285 1.21581 6.823708265e-14 0.00000000e+00 Linear search 1 2 0.00017390 0.00000003 0.00000003 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 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 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 2.75030 2.05440 2.05892 2.05821 2.03451 2.58831 2.56098 2.57061 2.99051 2.50477 2.44825 2.68569 2.96225 2.96225 1.67377 2.17616 2.17617 1.87695 1.91497 1.91083 1.91852 1.91829 1.92369 2.32144 2.13342 1.82832 1.84978 2.52050 1.91290 2.23298 2.09861 1.95152 1.84513 1.95003 1.76536 2.05024 2.05005 1.75907 1.75861 2.00005 1.67061 3.11448 3.11437 3.14508 3.13966 3.04921 -0.10721 -1.14771 1.97905 0.96556 -2.19087 -3.14101 -0.00160 -0.00030 3.13910 -0.01401 3.14139 3.12835 0.00056 -0.00004 -3.14029 -3.14067 1.24868 -1.24744 -0.00130 -1.89514 1.89192 -3.12958 -0.00059 0.00038 0.00206 2.11522 -2.11073 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00002 -0.00002 -0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00002 -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 -0.00043 -0.00049 -0.00043 -0.00049 -0.00044 -0.00050 0.00001 -0.00001 -0.00000 -0.00002 -0.00006 -0.00000 -0.00005 0.00000 -0.00000 0.00001 0.00002 0.00002 0.00002 0.00000 0.00001 0.00001 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 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00002 -0.00002 -0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00002 -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 -0.00043 -0.00049 -0.00043 -0.00049 -0.00044 -0.00050 0.00001 -0.00001 -0.00000 -0.00002 -0.00006 -0.00000 -0.00005 0.00000 -0.00000 0.00001 0.00002 0.00002 0.00002 0.00000 0.00001 0.00001 0.00005 -0.00000 0.00000 0.00000 -0.00000 -0.00000 2.75030 2.05440 2.05892 2.05820 2.03451 2.58831 2.56098 2.57061 2.99051 2.50477 2.44825 2.68569 2.96228 2.96223 1.67377 2.17617 2.17617 1.87696 1.91498 1.91082 1.91852 1.91830 1.92369 2.32144 2.13342 1.82832 1.84978 2.52050 1.91290 2.23298 2.09861 1.95152 1.84513 1.95003 1.76536 2.05024 2.05006 1.75906 1.75861 2.00005 1.67062 3.11448 3.11437 3.14509 3.13966 3.04878 -0.10771 -1.14814 1.97856 0.96512 -2.19136 -3.14100 -0.00161 -0.00031 3.13909 -0.01407 3.14138 3.12830 0.00056 -0.00004 -3.14028 -3.14065 1.24870 -1.24742 -0.00130 -1.89514 1.89193 -3.12954 -0.00059 0.00038 0.00207 2.11522 -2.11074 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000004 0.000001 0.000781 0.000174 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.589217e-10 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 1 1 1 1 2 2 2 4 4 5 6 8 8 8 9 14 16 5 11 12 13 3 4 5 7 8 6 7 10 14 16 10 15 17 1.4554 1.0871 1.0895 1.0892 1.0766 1.3697 1.3552 1.3603 1.5825 1.3255 1.2956 1.4212 1.5676 1.5676 0.8857 1.1516 1.1516 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 5 5 5 11 11 12 3 3 4 2 2 7 1 1 2 5 4 4 4 4 10 10 14 8 1 1 1 1 1 1 2 2 2 4 4 4 5 5 5 6 7 8 8 8 8 8 8 10 11 12 13 12 13 13 4 5 5 7 8 8 2 6 6 7 6 10 14 16 14 16 16 9 107.5412 109.7198 109.4826 109.923 109.91 110.2196 133.0088 122.2362 104.755 105.9848 144.414 109.6011 127.9401 120.2415 111.8137 105.7179 111.7285 101.1478 117.4702 117.4594 100.7871 100.761 114.5944 95.7192 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A25 A26 A27 8 8 8 14 16 14 15 17 15 12 13 12 -1 -1 -2 178.4464 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 178.4402 180.2001 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 11 11 12 12 13 13 3 3 5 5 3 3 4 4 2 8 2 2 2 7 7 7 1 2 5 4 14 1 1 1 1 1 1 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 5 5 6 8 8 5 5 5 5 5 5 4 4 4 4 5 5 5 5 7 7 8 8 8 8 8 8 6 6 7 10 10 2 6 2 6 2 6 7 8 7 8 1 6 1 6 6 6 10 14 16 10 14 16 7 7 4 9 9 174.7069 -6.1429 -65.7591 113.391 55.3224 -125.5274 -179.9666 -0.0917 -0.0174 179.8574 -0.8026 179.9882 179.2414 0.0322 -0.0025 -179.9251 -179.947 71.5441 -71.4732 -0.0747 -108.5837 108.399 -179.3119 -0.0338 0.0218 0.1182 121.1934 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 6 No pseudopotential on this center. 2 6 No pseudopotential on this center. 3 1 No pseudopotential on this center. 4 6 No pseudopotential on this center. 5 7 No pseudopotential on this center. 6 7 No pseudopotential on this center. 7 7 No pseudopotential on this center. 8 5 No pseudopotential on this center. 9 1 No pseudopotential on this center. 10 1 No pseudopotential on this center. 11 1 No pseudopotential on this center. 12 1 No pseudopotential on this center. 13 1 No pseudopotential on this center. 14 6 No pseudopotential on this center. 15 7 No pseudopotential on this center. 16 6 No pseudopotential on this center. 17 7 No pseudopotential on this center. 17 17 17 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 140.898 AuxInfo=1/0/N:1,2,14,16,4,8,15,17,7,6,5;9/E:(3,4)(7,8);/CRV:2.3,3.2,4.2,5.3,6.4,7.1,8.1,9.2,10.2;/rA:17nCC3HC3NN2N2B4H0HHHHC2N1C2N1/rB:;s2;s2;s1s2;s5;s4s6;s4;;s8;s1;s1;s1;s8;s14;s8;s16;/rC:1.5987,-.1021,-.0437;-.2973,-1.6096,.671;.3361,-2.3717,1.0918;-1.6563,-1.4829,.56;.2029,-.488,.097;-.7578,.3073,-.3517;-1.8701,-.2956,-.0709;-3.0496,-2.156,.8667;-3.3191,-.6631,.0748;-3.955,-1.229,.3527;1.6293,.8078,-.638;2.0305,.0824,.9395;2.1456,-.8952,-.5518;-3.4917,-2.192,2.456;-3.8025,-2.2173,3.5733;-3.414,-3.4917,-.0309;-3.6702,-4.4308,-.6619; 0.000000 2.525520 0.000000 2.834519 1.076546 0.000000 3.586915 1.369408 2.245530 0.000000 1.454941 1.355659 2.134395 2.158914 0.000000 2.411479 2.220935 3.233732 2.200749 1.325402 0.000000 3.474297 2.179685 3.244928 1.361441 2.088714 1.296000 0.000000 5.162778 2.812856 3.400046 1.577513 3.735492 3.578423 2.394102 0.000000 4.951118 3.222229 4.161013 1.916348 3.526465 2.772039 1.501981 1.711282 0.000000 5.680732 3.691231 4.501747 2.321976 4.231197 3.616476 2.323273 1.394034 0.895440 0.000000 1.087171 3.356955 3.843614 4.180614 2.062467 2.455720 3.712808 5.739397 5.211395 6.026173 0.000000 1.089608 2.890257 2.986049 4.023261 2.091723 3.080972 4.047089 5.551900 5.470122 6.155553 1.782088 0.000000 1.089213 2.823723 2.855764 4.004497 2.088257 3.148935 4.088645 5.531023 5.505446 6.176359 1.781639 1.786848 0.000000 6.043838 3.705311 4.067606 2.732421 4.703044 4.647980 3.551216 1.650000 2.834973 2.359167 6.692975 6.161748 6.519765 0.000000 6.835868 4.591141 4.828012 3.771619 5.578375 5.572163 4.550513 2.810000 3.858518 3.372222 7.509334 6.800653 7.358235 1.160000 0.000000 6.051185 3.707948 4.071624 2.733895 4.703289 4.646626 3.549732 1.650000 2.832164 2.357926 6.655012 6.584723 6.158122 2.807102 3.842547 0.000000 6.846928 4.594765 4.833777 3.773438 5.578728 5.570239 4.548541 2.810000 3.855004 3.370743 7.451653 7.445176 6.807016 3.842547 4.780579 1.160000 0.000000 1.7908324 0.6377489 0.5445627 -10.36613 -10.35652 -10.34077 -10.32480 -10.32480 -6.94660 -1.26091 -1.06764 -1.01485 -1.01269 -0.96051 -0.88244 -0.79812 -0.73717 -0.72832 -0.65494 -0.62984 -0.61537 -0.59941 -0.55859 -0.54629 -0.54061 -0.52010 -0.47908 -0.46589 -0.46481 -0.44423 -0.43903 -0.43034 -0.42982 -0.41616 -0.41315 -0.37980 0.00501 0.01906 0.03296 0.05147 0.05368 0.05694 0.06047 0.06703 0.07575 0.07896 0.08273 0.08729 0.09723 0.10221 0.11319 0.12084 0.12141 0.12822 0.13658 0.14181 0.14496 0.14698 0.15150 0.16243 0.16957 0.17681 0.18047 0.18451 0.18611 0.18966 0.19213 0.19854 0.20517 0.20656 0.21258 0.21408 0.22762 0.23276 0.24125 0.24592 0.24878 0.25448 0.27610 0.27764 0.28446 0.29784 0.29871 0.30027 0.30570 0.31187 0.32164 0.32363 0.32767 0.33141 0.33264 0.34107 0.34845 0.35215 0.35882 0.37047 0.37650 0.38497 0.38812 0.39772 0.41378 0.42851 0.44691 0.44857 0.45717 0.49680 0.49927 0.52610 0.53804 0.55663 0.55992 0.58191 0.59753 0.61670 0.64836 0.65255 0.65860 0.66905 0.69179 0.70657 0.71051 0.73277 0.73557 0.73988 0.76752 0.77493 0.78310 0.79358 0.80394 0.80778 0.82531 0.85735 0.86463 0.86937 0.88163 0.89681 0.90691 0.92076 0.92492 0.93236 0.95059 0.98482 1.00465 1.00553 1.01667 1.02952 1.03927 1.04631 1.04881 1.08000 1.08484 1.08662 1.09507 1.10400 1.13026 1.16832 1.20288 1.26835 1.30208 1.30347 1.32691 1.33964 1.34416 1.35241 1.36644 1.40179 1.42556 1.42872 1.43105 1.43475 1.49048 1.49622 1.51858 1.54036 1.56461 1.59859 1.60584 1.61243 1.62886 1.65087 1.66809 1.69938 1.70463 1.77458 1.79275 1.80092 1.81573 1.83668 1.83978 1.87610 1.90621 1.92503 1.95420 1.98397 2.00939 2.06899 2.11138 2.13968 2.14904 2.15891 2.17054 2.17327 2.18659 2.19210 2.21231 2.22995 2.29701 2.34351 2.34978 2.38407 2.41092 2.47191 2.47551 2.53504 2.55285 2.58483 2.59984 2.63995 2.66411 2.67891 2.69066 2.74328 2.74861 2.76853 2.79225 2.80641 2.81235 2.82755 2.89361 2.91471 2.92664 2.94865 2.94937 2.96918 2.97686 2.99302 3.01328 3.03251 3.04789 3.08751 3.10912 3.13663 3.15384 3.16505 3.21850 3.23916 3.43627 3.48537 3.51770 3.58166 3.65445 3.69693 3.74637 3.77165 3.87700 3.91061 4.00681 4.08212 4.09254 4.09450 4.11290 4.11684 4.11759 4.20335 4.33419 4.66174 4.66729 4.69047 4.91635 5.08071 5.71706 14.63214 23.87800 24.03575 24.18130 24.19486 24.28470 35.51088 35.63375 35.70949 35.96025 35.96233 34 35 36 37 38 39 40 41 42 43 O|O|O|O|O|V|V|V|V|V -0.43034 -0.42982 -0.41616 -0.41315 -0.37980 0.00501 0.01906 0.03296 0.05147 0.05368 -0.00001 0.00125 0.00001 0.00052 0.00004 0.00193 0.00051 -0.02231 0.00061 0.01137 -0.00001 0.00207 0.00002 0.00093 0.00006 0.00325 0.00085 -0.03610 0.00099 0.01819 -0.00027 0.00916 0.00125 -0.01678 -0.00009 0.01184 0.00153 0.02214 0.00217 -0.00030 0.00311 -0.01191 -0.03385 0.00186 0.00531 0.00467 -0.00496 -0.00271 -0.01536 -0.01196 0.00584 0.00695 -0.06433 0.00576 0.01227 -0.00233 -0.01122 0.00234 -0.01995 0.00746 0.00008 -0.00616 -0.00036 -0.00339 -0.00009 -0.00929 -0.00315 0.09795 -0.00269 -0.04115 -0.00038 0.01588 0.00186 -0.02264 -0.00004 0.02200 0.00351 0.04054 0.00310 -0.01260 0.00450 -0.01723 -0.04903 0.00153 0.00771 0.00875 -0.01561 -0.00284 -0.02724 -0.02505 0.00848 0.01005 -0.09298 0.00899 0.01770 -0.00415 -0.03187 0.00358 -0.03633 0.01486 -0.00038 -0.02472 0.00228 -0.02057 -0.00191 -0.05834 -0.00255 0.60387 -0.01692 -0.39991 -0.00033 0.01419 0.00126 -0.01540 0.00168 0.04957 0.00146 -0.11253 0.01935 0.16518 0.00370 -0.01608 -0.04440 0.00661 -0.00154 0.01810 0.00615 -0.05744 -0.05043 0.02195 0.00738 0.01081 -0.08399 0.00683 0.00990 -0.01021 -0.00535 0.01972 -0.04224 -0.00270 -0.00317 0.00766 -0.00047 -0.04325 -0.00239 -0.04754 -0.09454 7.13556 -0.22058 -4.58676 -0.00012 -0.00971 -0.00065 0.01675 0.00181 0.02030 0.00912 -0.36672 0.07941 0.17742 0.00034 -0.01379 0.00781 -0.00991 -0.01402 0.06194 -0.00028 -0.22647 -0.43530 -0.25280 -0.00206 0.00984 0.01318 0.00669 -0.00797 -0.04305 -0.11047 0.09314 -0.59362 0.21752 0.00043 0.00066 -0.00366 -0.00025 0.00281 -0.00037 -0.00037 -0.00346 0.00541 -0.00148 0.00160 0.00074 -0.01933 0.00005 0.00681 0.00130 0.02590 -0.00061 0.00309 -0.00105 0.00009 0.00185 -0.00225 -0.00227 -0.00074 0.00215 0.00499 -0.00131 -0.00401 -0.00011 0.00010 0.00038 -0.00044 -0.00225 0.00092 0.00304 -0.00267 0.00340 0.00254 0.00141 0.00095 -0.00191 -0.01074 0.00376 0.00406 -0.00205 0.01382 0.00220 0.00250 0.00214 0.00007 -0.00827 -0.00018 -0.00160 0.00004 -0.00794 0.00012 -0.01127 -0.00021 -0.00764 0.00011 -0.01362 -0.00029 -0.00259 0.00006 -0.01294 0.00019 -0.01885 -0.00035 -0.01256 0.00021 -0.02629 -0.00063 0.02673 -0.00428 -0.01121 -0.00313 0.01236 -0.00208 0.00789 -0.00097 0.00440 0.04711 0.01340 0.06721 -0.00719 0.05356 -0.01202 0.03849 -0.02295 -0.00162 -0.00315 0.08526 -0.01502 0.12836 0.00422 0.10342 0.00799 0.07769 0.00845 -0.00030 0.04078 0.00072 0.00708 -0.00030 0.04369 -0.00042 0.07017 0.00087 0.03899 0.00035 -0.03825 -0.00120 0.04172 -0.00682 -0.01127 -0.00490 0.00661 -0.00352 0.00564 -0.00198 0.00967 0.07658 0.02128 0.11009 -0.00655 0.08245 -0.01483 0.06040 -0.03282 -0.00343 -0.00628 0.13894 -0.02426 0.20989 0.00435 0.15875 0.01031 0.11965 0.01070 -0.00048 0.07535 0.00290 0.04953 0.00426 0.12670 -0.00469 0.00667 0.00757 0.07820 0.00005 -0.03135 0.00095 0.02513 -0.00699 -0.01346 -0.01302 0.15703 0.00227 0.10561 -0.00058 0.00673 0.05986 0.02665 0.09973 0.00899 0.14988 -0.12618 0.13324 -0.08457 -0.00076 -0.00455 0.10759 -0.02425 0.18656 -0.00358 0.29643 0.07454 0.27389 0.03666 -0.01594 -0.13899 0.05098 0.62935 0.00652 -2.09685 -0.47287 -0.33777 -0.99314 -7.50140 0.00504 -0.02277 -0.00987 -0.12485 -0.00585 0.78772 0.16843 1.45651 0.36772 3.30035 0.00459 -0.05545 0.02723 0.07951 0.01619 -0.19297 0.10997 -1.85875 -0.00883 -2.93803 0.01156 0.02776 0.03487 -0.05043 0.03230 0.13314 0.27578 0.98206 0.46553 1.63208 0.00111 -0.00040 -0.01451 -0.00072 -0.00352 0.00386 0.01582 -0.00073 -0.00182 -0.00251 -0.00097 0.00325 0.01195 0.00288 -0.01692 -0.00168 -0.00840 -0.00128 0.02486 -0.00344 -0.00093 0.00032 0.01202 -0.00020 0.00173 0.00165 -0.01264 -0.00120 0.00301 -0.00066 0.00069 0.00162 -0.00868 0.00549 -0.00086 -0.00413 0.00953 0.00008 -0.00232 0.00337 -0.00039 -0.00608 0.00493 -0.00708 -0.00894 0.00208 -0.00350 0.00260 0.01349 0.00451 0.00004 -0.00498 0.00025 0.00523 -0.00004 0.00037 -0.00015 0.00512 -0.00023 -0.00038 0.00011 -0.01095 -0.00019 0.00483 0.00005 0.00078 0.00018 0.02015 -0.00020 0.01042 -0.00012 0.00062 0.00139 0.02006 0.00079 -0.05960 -0.00749 -0.48908 -0.03494 -0.45341 -0.00139 -0.00848 0.00092 0.04225 -0.00065 -0.43098 -0.03310 -2.84323 -0.26266 -4.59546 0.00000 -0.00026 0.00002 0.00235 -0.00036 -0.00186 -0.00070 -0.00651 -0.00074 -0.00474 -0.00011 -0.00168 0.00371 -0.00029 0.00569 0.00251 0.00836 0.00591 0.00745 0.00610 -0.00024 0.00088 0.00711 -0.00051 0.01086 -0.00127 0.01574 -0.00296 0.01329 -0.00416 -0.00012 0.01677 -0.00039 -0.00632 -0.00006 -0.00955 0.00011 0.00074 -0.00018 -0.00371 -0.00020 0.02707 -0.00062 -0.01022 -0.00010 -0.01574 0.00018 0.00100 -0.00030 -0.00603 -0.00068 0.06335 0.00159 0.00564 -0.00450 -0.02304 0.00013 -0.00297 0.00399 -0.00187 0.00330 0.03509 -0.01328 0.08546 0.07239 -0.01307 -0.00179 0.00111 -0.06803 -0.00719 0.00700 -0.01628 -0.04072 -0.04115 0.13774 0.00651 -0.00424 -0.00105 -0.12785 0.01030 0.00057 -0.07502 0.00223 0.03648 0.00032 0.04445 -0.00027 0.00415 0.00114 0.02094 -0.00087 0.08530 0.00232 0.00659 -0.00738 -0.03338 0.00083 0.00111 0.00626 -0.01130 0.00417 0.04894 -0.02202 0.13585 0.11847 -0.01935 -0.00606 0.00016 -0.10682 -0.01716 0.00894 -0.02286 -0.06643 -0.06530 0.22549 0.00964 -0.01285 -0.00040 -0.20060 0.01891 0.00028 -0.07514 0.00462 0.03314 -0.00157 0.16261 -0.00535 0.09888 0.00518 0.14063 -0.00085 0.03610 0.00276 -0.00377 -0.00802 -0.08219 -0.00380 0.02864 0.02000 0.13883 0.00711 0.03386 -0.01658 0.08912 0.10196 -0.00562 0.01512 0.00012 -0.21611 0.01937 0.01419 -0.01634 -0.04768 -0.04293 0.19531 0.00189 0.02589 -0.00111 -0.40827 0.01491 0.01478 -0.08372 -0.02598 -0.33696 -0.01188 2.97766 0.47002 3.17815 1.00843 8.99183 0.00730 0.21518 -0.02437 -0.34031 0.00366 0.53398 0.13690 -0.18883 0.49522 4.97649 -0.01749 0.07843 -0.02902 -0.04294 -0.00857 -0.01589 -0.00440 1.05097 -0.33610 2.02245 -0.03339 -0.03411 -0.04731 0.01732 -0.02040 0.02325 0.03708 -0.50162 -0.81437 -0.85592 -0.00166 0.00054 0.01667 -0.00179 -0.00453 -0.00125 0.02018 -0.00305 -0.01032 -0.00360 0.00181 0.00259 0.01166 -0.00438 0.01574 0.00622 0.02232 0.00170 0.01183 0.00220 0.00145 -0.00056 -0.01297 -0.00447 0.00459 0.01199 -0.01458 -0.00340 0.00891 -0.00706 -0.00107 -0.00129 0.00839 -0.00777 -0.00364 0.02028 0.00972 0.00135 -0.00701 -0.00169 0.00089 -0.00501 0.00755 0.00568 0.00800 -0.01046 0.01260 -0.00219 0.00535 -0.00474 -0.00005 0.00204 0.00173 0.01848 -0.00008 -0.00762 -0.00033 0.00261 -0.00006 -0.00299 -0.00009 0.00331 0.00282 0.03033 -0.00013 -0.01273 -0.00054 0.00427 -0.00010 -0.00516 0.00052 -0.00495 -0.00201 0.05603 0.00185 -0.01450 0.00638 -0.00490 0.00094 0.01599 -0.00676 0.01016 0.07770 -0.04590 -0.02411 0.01914 -0.07835 -0.00725 -0.00268 0.00163 -0.01284 -0.00554 0.15626 0.01058 -0.04633 -0.01186 -0.14945 0.00145 -0.00545 0.00033 0.00026 -0.01000 -0.00890 -0.09846 0.00037 0.04397 0.00134 -0.01065 0.00056 0.02157 0.00078 -0.00747 -0.00282 0.08933 0.00289 -0.02649 0.00973 -0.00636 0.00132 0.02194 -0.01045 0.01382 0.12113 -0.07314 -0.03823 0.02966 -0.11971 -0.00792 -0.00396 0.00696 -0.01986 -0.00755 0.24383 0.01738 -0.07305 -0.01853 -0.22859 0.00080 -0.00784 -0.00237 0.00051 -0.01401 -0.01519 -0.15262 0.00052 0.08378 0.00527 -0.03094 0.00146 0.04350 0.00077 0.00280 -0.00360 0.09438 0.00297 0.00395 0.01513 -0.09067 0.00350 0.08396 -0.01040 0.02683 0.11970 -0.05581 -0.03585 0.07440 -0.17453 -0.06503 -0.00836 -0.00865 -0.01985 -0.01421 0.23874 0.00857 -0.07389 -0.04119 -0.32853 0.02492 -0.02589 0.01220 0.00275 0.01069 -0.02364 -0.12439 0.00275 0.34740 0.05438 -0.12178 0.24969 2.47279 -0.00123 0.04144 0.00301 0.04833 -0.00097 -0.16099 -0.00625 -1.70012 -0.04118 0.49295 -0.00084 0.02772 0.00541 0.01339 -0.01076 0.02810 -0.20657 0.06987 0.11975 0.78145 -0.00120 -0.01385 0.01136 -0.00699 -0.03137 -0.02154 -0.33550 -0.08453 0.04751 -0.41770 0.00020 0.00107 0.00701 -0.00015 0.01807 0.00257 -0.00192 -0.00356 0.01604 -0.00070 0.00089 -0.00067 -0.00658 -0.00091 0.00616 -0.00095 -0.01587 0.00091 0.00348 0.00189 -0.00008 -0.00158 -0.00644 -0.00332 -0.01390 0.00046 0.00092 -0.00418 -0.01251 -0.00045 0.00009 -0.00418 0.00408 -0.00641 0.01005 -0.00423 -0.00032 0.00061 0.00925 -0.00126 0.00046 0.00096 -0.00288 0.00295 0.00390 0.00080 -0.00838 -0.00127 0.00166 -0.00405 0.00002 -0.00015 -0.00272 -0.03515 -0.00006 0.00963 -0.00003 -0.00895 -0.00008 -0.00162 0.00004 -0.00019 -0.00441 -0.05707 -0.00011 0.01579 -0.00004 -0.01488 -0.00014 -0.00283 -0.00014 0.03917 0.00047 -0.01272 0.00459 0.00793 -0.00575 0.00398 0.00306 -0.00186 -0.00263 0.04100 -0.01165 0.10050 -0.07367 0.00325 0.08475 0.00396 -0.03935 -0.00758 -0.00422 -0.02041 -0.03985 -0.04993 -0.14041 0.00055 0.16021 -0.00021 -0.07216 0.00775 -0.00005 -0.00431 0.01260 0.16362 0.00048 -0.04798 -0.00002 0.05089 0.00083 0.01362 -0.00020 0.05951 0.00046 -0.02191 0.00711 0.01434 -0.00837 0.00597 0.00512 0.00378 -0.00388 0.06301 -0.01897 0.14610 -0.11460 0.00945 0.12789 0.00263 -0.05822 -0.01427 -0.00623 -0.03143 -0.06159 -0.07232 -0.21847 -0.00149 0.24130 0.00125 -0.10662 0.01375 -0.00039 0.01466 0.02031 0.26934 -0.00161 -0.11125 0.00247 0.08030 -0.00264 0.03463 -0.00022 0.03527 0.00493 0.01988 0.00621 -0.02545 -0.01448 0.02302 0.00056 -0.04344 -0.00433 0.04620 -0.01930 0.11146 -0.10967 0.00744 0.18176 0.02763 -0.09258 -0.02183 -0.00732 -0.02314 -0.05712 -0.05316 -0.20993 -0.00051 0.34867 -0.00907 -0.17188 0.01649 0.00578 0.16817 -0.01565 -0.32594 0.01733 0.32521 -0.07556 -1.95847 -0.17250 2.79884 -0.00165 -0.07076 0.01020 0.12395 -0.00616 -0.07020 0.03465 0.06348 0.00402 -1.18252 0.00120 -0.00888 0.00027 0.05098 -0.00402 -0.06377 0.17674 0.26967 -0.00091 -0.52405 0.00402 0.00227 -0.00296 -0.02281 -0.00244 0.03517 0.29626 -0.15074 -0.09571 0.26887 -0.00070 0.00084 0.00009 0.00555 -0.01236 -0.00323 -0.00024 -0.00024 -0.00146 -0.00061 -0.00150 0.00310 0.02227 -0.00796 -0.00290 0.00400 -0.00391 0.00029 -0.01547 -0.00038 0.00044 0.00394 0.00198 0.00541 0.00969 0.00276 0.00016 -0.00033 0.00025 -0.00074 -0.00033 0.00438 -0.00193 -0.00277 -0.00697 0.00993 0.00007 -0.00014 -0.00004 0.00014 -0.00077 -0.00580 0.01269 0.00991 -0.00210 -0.00661 -0.00196 -0.00070 -0.00803 0.00223 0.00008 -0.01577 0.00243 0.03105 0.00002 -0.01362 0.00016 0.00023 -0.00010 -0.00331 0.00014 -0.02566 0.00396 0.05055 0.00004 -0.02244 0.00025 0.00044 -0.00015 -0.00532 0.00010 -0.06625 0.01256 0.10144 -0.00023 -0.05252 0.00404 -0.00367 -0.00385 0.00515 0.00475 -0.00643 -0.08720 -0.08856 0.00401 0.04741 -0.05302 -0.00878 0.06105 -0.00823 0.00879 0.00110 -0.14827 0.06484 0.00785 -0.02833 -0.09912 0.00385 0.11687 -0.00130 -0.00039 0.07317 -0.01157 -0.14710 -0.00017 0.06713 -0.00061 -0.00304 0.00037 0.01483 0.00015 -0.09879 0.01875 0.14787 -0.00031 -0.07703 0.00610 -0.00477 -0.00564 0.00781 0.00730 -0.00922 -0.13522 -0.13351 0.00595 0.07079 -0.07994 -0.01293 0.09055 -0.01049 0.01353 0.00145 -0.23056 0.09825 0.01166 -0.04225 -0.14951 0.00540 0.17355 -0.00294 -0.00058 0.10912 -0.01771 -0.24117 0.00069 0.12258 -0.00513 0.04603 -0.00085 0.05687 -0.00002 -0.08758 0.02001 0.16236 -0.00009 -0.10497 0.00700 -0.00595 -0.01107 -0.01595 0.00758 -0.00152 -0.12524 -0.08823 0.00763 0.08964 -0.11938 -0.02134 0.14875 -0.04560 0.01430 -0.00231 -0.22132 0.07400 0.01495 -0.05439 -0.22247 0.01062 0.28705 0.01018 -0.00645 -0.01177 0.01267 0.22673 -0.01688 -0.48104 0.06994 -0.33017 0.05199 -3.33784 -0.00373 -0.09355 0.01836 0.25210 -0.01009 -0.47253 0.03605 0.23316 -0.01653 -1.71943 0.00155 -0.10196 0.00943 0.14217 -0.00954 0.03713 -0.08467 0.41443 0.09794 -0.84113 0.00603 0.05062 -0.00885 -0.06601 -0.00456 -0.03756 -0.22312 -0.21954 0.21765 0.36136 0.00090 0.00372 -0.00445 -0.00193 0.01545 0.00661 -0.01232 -0.00283 -0.00612 -0.00266 -0.00005 0.00254 -0.01111 0.00382 -0.00941 -0.00217 0.01335 -0.00087 -0.00030 -0.00107 -0.00073 0.00066 0.00206 -0.00850 -0.01286 -0.00180 0.01065 -0.00181 0.00493 -0.00142 0.00057 -0.00509 -0.00218 -0.00694 0.00950 -0.01451 -0.00797 0.00183 -0.00336 0.00324 0.00007 -0.00561 -0.00655 -0.00512 -0.00421 0.00282 0.00642 0.00239 -0.00042 0.00280 -0.00004 0.00574 0.00002 0.00031 0.00002 -0.02396 0.00034 -0.00327 -0.00026 -0.01328 -0.00006 0.00895 0.00002 0.00032 0.00004 -0.03910 0.00057 -0.00570 -0.00043 -0.02304 0.00115 -0.04503 -0.00316 -0.04068 0.00032 -0.09438 0.00095 0.00376 0.00083 -0.00754 -0.01337 -0.04770 0.00597 0.02444 -0.00680 0.09877 -0.00651 -0.01165 -0.02301 -0.02841 -0.02634 0.02334 0.00668 -0.01472 -0.01306 -0.05451 -0.01053 0.00601 -0.04221 0.01680 0.00016 -0.02349 -0.00033 -0.00429 -0.00021 0.11201 -0.00200 0.02740 0.00154 0.10884 0.00184 -0.06840 -0.00462 -0.05897 0.00039 -0.17101 0.00234 0.00561 0.00205 -0.01113 -0.02172 -0.07617 0.00967 0.03915 -0.01146 0.16512 -0.01586 -0.01238 -0.03812 -0.01950 -0.04281 0.03741 0.01095 -0.02341 -0.02188 -0.09168 -0.02632 0.00610 -0.07073 0.01400 0.00050 -0.05384 0.00447 0.04039 -0.00026 0.32449 -0.00458 -0.08087 0.00884 -0.21734 0.00174 -0.05957 -0.00280 -0.05514 -0.00069 -0.40164 0.01103 0.04327 -0.00274 0.21447 -0.01983 -0.09231 -0.01468 0.05445 0.00715 0.28576 -0.14141 0.02243 0.09043 -0.03712 -0.03888 0.04574 -0.03990 -0.02624 0.01566 -0.16450 -0.27025 -0.01601 0.17080 0.01795 0.00170 -0.12579 0.00111 -0.00429 0.00014 -0.14776 0.07732 -1.26245 0.01906 -4.38356 0.00204 -0.08960 0.00165 -0.02065 -0.00068 0.43727 0.03328 0.44750 -0.02387 1.48334 -0.02075 -0.04737 -0.02384 0.03148 -0.00111 0.10626 -0.01062 -0.27353 0.73841 -0.15313 -0.03954 0.02145 -0.04852 -0.01205 -0.00239 -0.04522 -0.04644 0.18887 1.30656 0.02283 -0.01662 0.02717 0.00608 -0.00173 -0.01382 0.00051 0.01248 -0.00300 0.02400 -0.02298 0.01132 0.00409 -0.00484 0.00639 0.01929 -0.00759 0.00402 -0.00062 -0.04942 0.00010 0.01368 0.02625 -0.00626 -0.01143 0.01230 0.02159 -0.01005 -0.00756 -0.02346 -0.02494 -0.01008 -0.01003 0.00278 -0.01363 -0.00925 0.02782 0.00686 -0.00509 0.01791 0.00135 0.00530 -0.01194 -0.00344 -0.01159 0.00946 0.01574 0.00245 0.00168 -0.02410 0.00793 0.00001 -0.00776 0.00090 0.00803 -0.00009 -0.11302 0.00095 0.01445 -0.00002 0.01937 0.00004 -0.00954 0.00124 0.00630 0.00003 -0.25639 0.00069 0.04271 -0.00135 0.06773 -0.00107 -0.00317 0.00516 0.06149 -0.00298 -0.66462 0.01200 0.15549 0.00150 -0.23252 -0.00052 0.11852 -0.00439 -0.05704 -0.00056 -1.01882 -0.00974 -1.14311 -0.00223 -1.13903 -0.00006 0.00709 -0.00092 -0.01523 -0.00011 0.01459 0.00021 0.00212 -0.00012 0.00094 0.00033 0.00720 -0.00448 -0.01299 0.00164 -0.00611 -0.00764 -0.00179 0.00132 -0.00560 0.00074 -0.00356 -0.00606 0.00700 0.00312 0.00350 -0.01471 0.00087 0.00256 0.00279 0.00012 -0.02611 0.00510 0.06503 -0.00003 -0.02729 0.00036 0.00074 0.00017 0.01404 0.00018 -0.04245 0.00900 0.11744 0.00000 -0.08321 0.00084 0.00709 -0.00064 0.03668 0.00054 -0.00778 0.00162 0.02949 0.00095 -0.14739 0.00415 -0.11619 0.01577 0.28883 0.00065 -0.08967 0.00358 0.02633 -0.00049 0.73874 0.01529 1.46159 0.00528 2.61470 0.00002 -0.00234 0.00022 0.00296 0.00001 -0.00013 0.00015 0.00105 -0.00005 0.00243 -0.00017 0.00001 -0.00012 -0.00310 -0.00038 -0.02786 -0.00173 0.00161 0.00018 -0.00083 -0.00031 -0.00008 0.00027 0.00171 -0.00069 0.01460 -0.00392 -0.00084 0.00051 0.00040 -0.00061 -0.01315 0.00790 0.00353 -0.00207 -0.00555 -0.00362 -0.00203 0.00104 -0.00486 -0.00088 -0.01783 0.01277 0.01044 -0.00185 -0.01111 -0.01030 0.01025 0.00771 0.00078 0.00015 -0.00276 0.00506 -0.00087 0.00338 -0.02678 -0.01982 -0.33946 0.03016 0.15825 -0.00109 0.01163 0.00252 0.01974 0.00750 -0.10251 -0.08593 -1.44426 0.12004 2.19694 -0.00003 -0.00022 -0.00004 -0.00301 -0.00031 0.00137 0.00017 0.00213 -0.00017 0.00186 0.00023 0.00103 -0.00293 0.00067 0.00033 -0.00070 0.00025 -0.00560 -0.00205 0.00469 0.00031 -0.00075 -0.00373 0.00001 0.00028 0.00050 0.00094 0.00414 -0.00384 -0.00283 0.00594 0.00639 -0.06711 -0.00164 0.01592 0.00326 0.02853 0.00037 -0.00072 0.00017 0.00962 0.01104 -0.10806 -0.00340 0.02941 0.01089 0.07045 0.00120 0.01590 -0.00240 0.00434 -0.00240 -0.04804 -0.00391 0.02970 0.03090 0.12184 -0.29650 0.07409 0.16511 0.00306 0.00290 -0.03512 -0.00804 0.01024 0.04562 0.49908 -1.75081 1.32324 0.96797 -0.00030 0.00017 0.00296 -0.00052 -0.00116 0.00081 0.00382 -0.00100 0.00050 0.00100 0.00006 -0.00092 -0.00074 0.00014 -0.00006 0.00051 0.00041 -0.00117 -0.00220 0.00098 -0.00038 -0.00045 0.00448 0.00079 -0.00030 -0.00077 0.00226 -0.00984 0.00493 0.00142 -0.00533 0.00859 0.05855 -0.01356 -0.01384 0.00373 -0.02532 0.00037 -0.00060 0.00018 -0.00882 0.01485 0.09291 -0.02228 -0.02694 0.01196 -0.06428 -0.00258 -0.02368 -0.00274 -0.00245 0.00111 0.04221 -0.01028 -0.03009 0.02734 -0.07617 -0.29738 -0.08017 0.17013 -0.00067 0.00643 0.03219 -0.01384 -0.01415 0.04029 -0.37923 -1.82711 -1.27493 1.06352 0.00032 -0.00010 -0.00307 0.00026 0.00134 0.00082 -0.00341 -0.00240 -0.00021 0.00090 -0.00034 0.00018 0.00396 -0.00159 -0.00006 0.00109 0.00141 0.00831 0.00520 -0.00081 0.00002 0.00102 -0.00031 -0.00059 0.00026 -0.00013 0.00044 0.00496 0.00049 -0.00127 0.00545 -0.00632 -0.00275 0.00177 0.00928 0.00074 -0.00371 -0.00043 -0.01378 0.00428 0.00909 -0.01055 -0.00448 0.00286 0.01513 0.00114 -0.00575 -0.00084 -0.02275 0.00694 0.02693 0.07401 0.01430 0.05219 -0.02531 -0.04232 0.00548 0.00317 -0.03049 -0.00980 0.11161 0.08443 0.01004 -0.03269 -0.00798 0.03870 -0.00867 -0.00935 -0.02195 -0.03697 0.06121 -0.03581 -0.01367 0.02532 0.03085 -0.00713 -0.00910 0.00075 -0.04186 0.00857 -0.02536 0.02830 0.01045 -0.00692 -0.04127 0.00253 0.00494 0.00652 0.06781 -0.01426 0.04506 0.10824 0.01995 0.08090 -0.03692 -0.07222 0.00388 0.00434 -0.05222 -0.01871 0.17270 0.12702 0.01608 -0.04936 -0.01264 0.06654 -0.01495 -0.01380 -0.03918 -0.06401 0.08133 -0.04050 -0.01522 0.03509 0.03655 -0.01642 -0.00408 -0.00119 -0.05495 0.00452 -0.02682 0.04086 0.04338 -0.02200 -0.06520 -0.05206 0.17233 -0.06440 0.18487 -0.22254 0.03730 0.08847 0.02287 0.06508 -0.03179 -0.08208 0.05426 0.02969 -0.13962 0.04823 0.13280 0.11213 0.01434 -0.04408 -0.01162 0.08396 0.00148 -0.03540 -0.06113 -0.08062 0.05276 -0.02254 -0.02196 0.03280 0.04519 0.00190 -0.09320 -0.06625 0.04378 -0.22758 0.03785 0.12882 0.06524 -0.06385 0.00162 -0.07319 0.20031 0.14030 -1.22781 2.50346 0.03325 0.06632 0.01060 0.00968 0.00501 -0.24648 0.02915 0.02725 -0.00743 0.14679 0.07224 0.05466 0.02657 -0.03253 0.02051 -0.01807 -0.11145 -0.03820 -0.12641 0.12557 0.01783 -0.02223 0.01438 0.02851 0.01079 0.00236 -0.03927 -0.15239 0.13749 -0.94042 0.00581 0.00564 0.00100 0.00657 -0.00077 0.01261 -0.00044 0.00205 -0.00158 0.01075 0.00609 0.01284 0.00191 0.01275 -0.00357 0.02149 -0.00163 -0.00156 0.01434 -0.00168 0.02103 0.01859 0.00101 -0.00855 -0.00079 -0.02125 0.00320 0.00409 0.00651 0.01196 -0.00218 -0.00365 -0.00031 -0.00428 0.00150 -0.00460 0.00286 -0.00016 -0.00388 -0.00012 -0.00542 -0.00561 -0.00066 0.00135 0.00136 0.00804 -0.00069 -0.00140 -0.00641 -0.00300 0.00669 -0.00693 -0.00145 0.00093 0.00073 -0.00204 0.00177 -0.00264 0.00628 -0.00930 0.01077 -0.01111 -0.00230 0.00147 0.00107 -0.00337 0.00306 -0.00430 0.01020 -0.01507 0.06119 0.05754 0.00865 0.07514 -0.01737 0.07252 -0.01164 0.00082 0.04262 0.01324 0.13492 0.09950 0.01158 -0.04192 -0.01016 -0.06544 0.01482 0.01486 0.02201 0.04505 -0.03035 0.07516 0.01806 0.01003 -0.03053 0.01534 0.00145 0.00050 0.02590 -0.00043 -0.03023 0.03054 0.00610 -0.00388 -0.00140 0.01105 -0.01147 0.01230 -0.02812 0.04157 0.09076 0.08769 0.01352 0.11290 -0.02721 0.10873 -0.01765 0.00061 0.06295 0.01737 0.20330 0.14962 0.01763 -0.06291 -0.01604 -0.09688 0.02389 0.02237 0.03246 0.06683 -0.04101 0.10803 0.02632 0.01551 -0.04434 0.02261 0.00504 0.00115 0.03753 0.00174 -0.06589 0.07242 0.01829 -0.01128 -0.02985 0.01446 0.00930 0.06739 -0.14039 0.24322 0.06776 0.06973 0.00980 0.08709 -0.02393 0.12894 -0.02495 0.00890 0.08861 0.05514 0.15598 0.11282 0.01346 -0.04909 -0.01104 -0.12319 0.01887 0.03015 0.04793 0.09632 -0.02229 0.07273 0.01865 0.01466 -0.02736 0.02580 -0.00143 -0.02316 0.08151 -0.07856 -0.03458 0.01292 -0.01038 -0.01004 -0.02651 0.03028 -0.01074 0.18076 0.08582 0.37004 -0.00853 -0.01079 -0.00159 -0.00019 -0.00486 0.13237 -0.02192 -0.00635 0.06073 0.00411 -0.01618 -0.00897 -0.00619 0.00402 -0.00961 -0.06359 0.06036 0.03831 0.04945 0.04792 -0.00454 0.00442 -0.00226 -0.00058 -0.00192 0.02240 -0.00542 -0.00936 -0.04306 0.07148 0.00107 -0.01122 -0.00278 -0.00327 0.00447 0.00163 -0.00148 0.00064 -0.00091 0.00288 -0.00875 -0.00592 -0.00064 -0.00945 0.00153 0.00118 0.00121 -0.00091 0.00288 -0.00130 -0.01924 -0.01330 -0.00169 0.00558 0.00140 -0.00145 0.00036 0.00027 0.00165 0.00214 0.00175 0.00197 0.00031 0.00294 -0.00065 -0.00019 0.00012 0.00001 -0.00079 -0.00001 0.00564 0.00399 0.00052 -0.00129 -0.00044 0.00071 -0.00005 -0.00012 -0.00087 -0.00037 -0.00537 -0.00638 0.00300 0.00134 -0.00929 0.00066 0.00371 -0.00031 0.01401 0.00322 -0.00895 -0.01065 0.00489 0.00218 -0.01514 0.00100 0.00576 -0.00065 0.02313 0.00518 -0.03397 0.07366 -0.00502 0.05365 0.02401 -0.04167 -0.00406 0.00289 0.03163 -0.01319 -0.01523 0.07916 -0.02360 -0.03525 0.03050 0.02701 -0.00312 -0.00601 -0.02217 -0.02662 0.12567 -0.04356 0.00240 0.01486 0.01237 -0.02964 -0.01199 0.00705 -0.03910 0.02805 0.02498 0.02857 -0.01144 -0.00535 0.04133 0.00310 -0.00552 0.00639 -0.06912 -0.00934 -0.05523 0.10829 -0.00589 0.08272 0.03544 -0.07124 -0.00197 0.00359 0.05340 -0.02506 -0.03443 0.10791 -0.03128 -0.05119 0.03810 0.04989 0.00397 -0.00664 -0.02353 -0.03929 0.18676 -0.07331 0.00779 0.02376 0.01240 -0.04854 -0.01394 0.01186 -0.05819 0.05354 0.02637 0.04079 -0.04630 -0.01507 0.06540 -0.05324 -0.16653 -0.06809 -0.18834 -0.20489 -0.04476 0.08935 -0.01112 0.06768 0.02974 -0.08069 -0.04821 0.02529 0.13701 0.02377 -0.03465 0.08418 -0.03531 -0.04591 0.04407 0.04311 -0.07855 0.03011 0.08185 0.13765 0.13802 -0.07295 0.00189 0.02077 0.01740 -0.07424 -0.05259 0.06564 -0.01237 0.19892 -0.03818 0.12603 -0.07599 -0.05042 0.00104 -0.08017 -0.23488 0.20913 1.39945 2.30586 -0.03647 0.06551 -0.01104 0.01259 -0.00503 -0.24679 -0.04357 0.03372 0.03630 0.09062 -0.02714 0.05033 -0.00927 -0.03967 -0.00252 -0.01942 0.02410 0.12750 0.24064 0.80995 0.06809 -0.02828 0.03060 0.00583 0.02280 0.00224 -0.11525 0.06943 0.01262 0.45228 -0.01852 0.01661 -0.00180 -0.00506 0.00140 -0.01624 -0.00081 0.00346 -0.00692 0.01045 0.00068 -0.00421 -0.00070 -0.00845 -0.00112 -0.01853 -0.00124 0.00165 0.00326 0.00196 -0.01073 0.00843 -0.00097 -0.00023 -0.00003 -0.00050 -0.00219 0.00299 0.00248 0.01283 -0.00546 0.00381 -0.00139 -0.00967 -0.00085 -0.01874 -0.00323 0.00043 -0.00265 -0.00081 0.00858 -0.01387 0.00038 -0.01037 -0.00378 -0.01413 -0.00074 0.00035 0.01504 -0.00220 -0.00659 -0.00700 0.00161 0.00073 -0.00073 -0.00203 -0.00165 -0.00268 -0.00671 -0.00872 -0.01061 -0.01122 0.00255 0.00116 -0.00108 -0.00336 -0.00286 -0.00438 -0.01090 -0.01413 -0.06418 0.06266 0.00243 0.07476 0.01915 0.07169 0.00978 0.00138 -0.04198 0.01805 -0.10338 -0.00461 0.00288 -0.03096 -0.01891 -0.04818 -0.00627 0.00796 0.00810 0.02568 0.09200 -0.12021 0.02471 0.02937 -0.02480 0.04838 0.01290 -0.01207 0.02943 -0.03822 0.02980 0.03086 -0.00674 -0.00305 0.00144 0.01103 0.01081 0.01270 0.03015 0.03904 -0.09552 0.09516 0.00318 0.11242 0.02980 0.10748 0.01468 0.00151 -0.06220 0.02459 -0.15192 -0.00279 0.00344 -0.04672 -0.02668 -0.07116 -0.00810 0.01157 0.01110 0.03602 0.14134 -0.17783 0.03679 0.04387 -0.03698 0.07180 0.02235 -0.01805 0.04283 -0.05835 0.06476 0.07304 -0.02028 -0.00871 0.02942 0.01401 -0.01058 0.06559 0.14868 0.22939 -0.07187 0.07487 0.00311 0.08675 0.02559 0.12736 0.02175 0.00843 -0.08739 0.06118 -0.10909 0.00524 0.00104 -0.03838 -0.01579 -0.08837 -0.01027 0.03635 0.04054 0.11684 0.11364 -0.12884 0.02706 0.03286 -0.02344 0.09236 0.01420 -0.01237 0.08019 -0.03705 0.03454 0.01401 0.00899 -0.01215 0.02636 0.03084 0.01028 0.16100 -0.06902 0.39763 0.00921 -0.01042 0.00193 -0.00064 0.00505 0.13173 0.02143 -0.00886 -0.06361 0.01892 0.00574 -0.00873 0.00195 0.00208 0.00409 -0.05125 -0.03736 0.01710 -0.06988 -0.01512 -0.01542 0.00425 -0.00663 -0.00177 -0.00874 0.04558 0.04724 -0.01179 0.00829 -0.08182 0.01673 -0.01151 0.00209 0.00316 -0.00139 -0.00119 -0.00015 0.00023 -0.00160 0.00195 -0.00151 0.00147 0.00089 0.00640 0.00085 -0.00125 0.00059 0.00058 0.00102 0.00066 0.00465 -0.01234 0.00284 0.00080 -0.00371 0.00067 0.00103 0.00068 0.00080 0.00302 0.00901 0.00131 -0.00001 0.00585 0.00228 -0.00167 -0.00112 -0.00034 -0.00094 -0.00064 -0.01032 0.00767 0.00021 0.00732 0.00181 -0.00068 0.00090 0.00065 0.00279 0.00039 1 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 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 H 1S 2S 3S 4S 5PX 5PY 5PZ 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 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 6 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 7 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 8 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 9 H 1S 2S 3S 4S 5PX 5PY 5PZ 10 H 1S 2S 3S 4S 5PX 5PY 5PZ 11 H 1S 2S 3S 4S 5PX 5PY 5PZ 12 H 1S 2S 3S 4S 5PX 5PY 5PZ 13 H 1S 2S 3S 4S 5PX 5PY 5PZ 14 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 15 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 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 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 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 1 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|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 H 1S|2S|3S|4S|5PX|5PY|5PZ|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 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|6 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|7 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|8 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|9 H 1S|2S|3S|4S|5PX|5PY|5PZ|10 H 1S|2S|3S|4S|5PX|5PY|5PZ|11 H 1S|2S|3S|4S|5PX|5PY|5PZ|12 H 1S|2S|3S|4S|5PX|5PY|5PZ|13 H 1S|2S|3S|4S|5PX|5PY|5PZ|14 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|15 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|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 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 1.10433 0.88494 0.17561 0.23081 0.23325 0.74069 0.44563 0.54769 0.55317 0.49395 0.12385 0.32973 0.34179 0.12054 -0.00151 -0.00130 0.01551 0.00994 0.01206 0.00873 0.01539 0.01096 1.10439 0.88461 0.23861 0.20863 0.19375 0.75548 0.53056 0.48223 0.47808 0.49038 0.18327 0.16824 0.29408 0.11716 0.07161 0.04439 0.03157 0.00810 0.01457 0.01166 0.01762 0.02284 0.26742 0.47822 0.00599 -0.05685 0.00777 0.01068 0.00775 1.10444 0.88456 0.24424 0.20671 0.18621 0.75961 0.54041 0.49178 0.46830 0.46848 0.18684 0.19231 0.30862 -0.05604 -0.01759 0.01222 0.00454 0.00973 0.01259 0.01266 0.02350 0.01748 1.09541 0.89598 0.25382 0.25779 0.27534 0.87338 0.59007 0.59525 0.62766 0.60181 0.29161 0.32672 0.46622 -0.29372 -0.08109 -0.07584 -0.05744 0.00748 0.00946 0.00715 0.01405 0.01522 1.09593 0.89540 0.20942 0.28183 0.24266 0.93499 0.50694 0.63182 0.55904 0.81569 0.11621 0.31686 0.37444 -0.02344 0.15354 0.07230 0.02347 0.00725 0.01405 0.00782 0.00948 0.02159 1.09568 0.89565 0.27466 0.24707 0.23987 0.90069 0.62412 0.56861 0.55621 0.74257 0.35626 0.28567 0.42500 -0.31310 0.17112 -0.03311 -0.02669 0.00667 0.00819 0.00669 0.01361 0.01204 1.13250 0.85522 0.16052 0.13314 0.14715 0.63912 0.38470 0.36035 0.39334 0.05395 0.04494 0.08654 0.08137 0.12351 -0.04445 0.00288 0.01677 0.03018 0.02612 0.03092 0.01842 0.02850 0.19027 0.41409 0.03925 -0.00854 0.02346 0.01714 0.00610 0.25813 0.56156 0.10144 -0.06339 0.01097 0.00490 0.00241 0.26920 0.46735 0.01762 0.00464 0.00296 0.01141 0.00779 0.27031 0.47330 0.02292 -0.00792 0.00479 0.00534 0.01189 0.27029 0.47439 0.03050 -0.00558 0.00584 0.00908 0.00718 1.10482 0.88389 0.18009 0.17308 0.27252 0.79334 0.42432 0.41960 0.49249 0.47162 0.29121 0.31331 0.13403 -0.03813 0.08184 0.05772 0.02527 0.01370 0.01657 0.01733 0.00143 0.00130 1.09602 0.89498 0.21488 0.20638 0.31212 0.94230 0.48719 0.47362 0.63901 0.92176 0.36431 0.36628 0.31400 0.04801 -0.01602 -0.01874 0.00429 0.01185 0.01051 0.01024 0.00080 0.00081 1.10482 0.88389 0.17757 0.24338 0.20475 0.79333 0.42234 0.47063 0.44346 0.47166 0.29659 0.18085 0.26145 -0.03804 0.08146 0.03627 0.04655 0.01213 0.00566 0.01044 0.00947 0.01262 1.09602 0.89498 0.21253 0.27977 0.24106 0.94231 0.48360 0.58801 0.52821 0.92173 0.36597 0.32696 0.35161 0.04799 -0.01632 -0.00360 -0.01033 0.00691 0.00369 0.00900 0.00708 0.00753 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 C C H C N N N B H H H H H C N C N -0.395772 -0.351822 0.279004 -0.061601 0.303688 -0.267281 -0.057483 0.294299 0.318224 0.123962 0.219032 0.219367 0.208301 -0.131344 -0.284583 -0.131280 -0.284711 -0.00000 8.1732 4.3225 -1.9738 9.4542 -79.4744 -92.5626 -85.3105 -27.0559 12.9899 2.5242 6.3081 -6.7801 0.4719 -27.0559 12.9899 2.5242 430.6322 451.1120 -203.6864 243.9315 207.7459 -94.4775 203.8458 152.8733 -28.8819 -19.2058 -2901.6501 -2531.6057 -1146.3233 -1341.0487 617.0012 -1504.7509 143.5832 724.4824 424.0664 -1222.1007 -903.7884 -562.8308 161.4932 117.4424 -509.5705 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 140.898 AuxInfo=1/0/N:1,2,14,16,4,8,15,17,7,6,5;9/E:(3,4)(7,8);/CRV:2.3,3.2,4.2,5.3,6.4,7.1,8.1,9.2,10.2;/rA:17nCC3HC3NN2N2B4H0HHHHC2N1C2N1/rB:;s2;s2;s1s2;s5;s4s6;s4;;s8;s1;s1;s1;s8;s14;s8;s16;/rC:1.5995,-.1003,-.0452;-.2929,-1.6118,.6717;.3431,-2.3726,1.091;-1.6525,-1.4865,.5626;.2044,-.4895,.0977;-.759,.3037,-.349;-1.8699,-.3005,-.0672;-3.0386,-2.1806,.8806;-3.3321,-.6588,.0725;-3.9508,-1.2276,.3521;1.6264,.8112,-.6371;2.0328,.0823,.9376;2.1466,-.891,-.5568;-3.4974,-2.2264,2.3788;-3.8059,-2.2502,3.4881;-3.4213,-3.4485,.0421;-3.6733,-4.3805,-.5856; 0.000000 2.525900 0.000000 2.834299 1.076614 0.000000 3.586955 1.369672 2.246507 0.000000 1.455397 1.355214 2.133598 2.158264 0.000000 2.412091 2.220007 3.232802 2.198589 1.325465 0.000000 3.475259 2.180048 3.245404 1.360307 2.089432 1.295560 0.000000 5.166906 2.811723 3.393641 1.582511 3.740323 3.588888 2.408134 0.000000 4.964570 3.241026 4.181138 1.935588 3.540695 2.779372 1.511960 1.747917 0.000000 5.677597 3.691911 4.504990 2.322464 4.227968 3.608880 2.316385 1.421205 0.885723 0.000000 1.087143 3.356810 3.843213 4.179662 2.062474 2.455795 3.712805 5.746024 5.220315 6.020053 0.000000 1.089533 2.889613 2.984202 4.022797 2.091736 3.081998 4.048122 5.553645 5.484549 6.153270 1.782189 0.000000 1.089156 2.824954 2.857164 4.005082 2.088494 3.148532 4.089130 5.533155 5.519670 6.174014 1.781739 1.787068 0.000000 6.031169 3.682477 4.053315 2.692618 4.682302 4.619636 3.512965 1.567558 2.793550 2.304556 6.676558 6.163631 6.500502 0.000000 6.806234 4.547555 4.793212 3.712040 5.538719 5.525304 4.493273 2.718887 3.797824 3.301732 7.476589 6.784966 7.324008 1.151577 0.000000 6.035470 3.681922 4.053180 2.692463 4.680277 4.617336 3.511276 1.567558 2.791323 2.304123 6.639747 6.558655 6.156420 2.638151 3.668595 0.000000 6.812857 4.546799 4.793109 3.711827 5.535703 5.521854 4.490866 2.718888 3.794830 3.301080 7.419163 7.402478 6.785961 3.668686 4.598976 1.151578 0.000000 1.9124352 0.6381597 0.5550038 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=11111111111111111 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=1721283085. There are 54 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 0. 48 vectors produced by pass 0 Test12= 1.73D-14 1.85D-09 XBig12= 1.01D-01 9.08D-02. AX will form 48 AO Fock derivatives at one time. 48 vectors produced by pass 1 Test12= 1.73D-14 1.85D-09 XBig12= 1.30D-02 3.28D-02. 48 vectors produced by pass 2 Test12= 1.73D-14 1.85D-09 XBig12= 3.35D-04 3.60D-03. 48 vectors produced by pass 3 Test12= 1.73D-14 1.85D-09 XBig12= 3.77D-06 4.84D-04. 48 vectors produced by pass 4 Test12= 1.73D-14 1.85D-09 XBig12= 3.81D-08 3.92D-05. 48 vectors produced by pass 5 Test12= 1.73D-14 1.85D-09 XBig12= 2.84D-10 2.07D-06. 48 vectors produced by pass 6 Test12= 1.73D-14 1.85D-09 XBig12= 1.92D-12 2.20D-07. 27 vectors produced by pass 7 Test12= 1.73D-14 1.85D-09 XBig12= 1.29D-14 1.69D-08. InvSVY: IOpt=1 It= 1 EMax= 3.89D-16 Solved reduced A of dimension 363 with 54 vectors. End of Minotr F.D. properties file 721 does not exist. 0.000 0.000 0.000 0.000 0.000 0.000 111.667 9.826 114.603 -4.653 -6.189 105.379 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 6 6 1 6 7 7 7 5 1 1 1 1 1 6 7 6 7 0.000540084 0.000155122 -0.000060552 0.000358609 -0.000133640 0.000030406 0.000139219 0.000041316 -0.000015449 0.000679507 0.001937325 -0.001031874 -0.000943743 -0.000632511 0.000333324 -0.000734938 0.000033099 -0.000050918 -0.000903157 -0.001194428 0.000588306 -0.008596994 -0.023540442 0.012113027 0.001023414 0.001769205 -0.000925444 -0.000159728 -0.000469228 0.000263197 -0.000046379 -0.000026989 0.000008790 -0.000109460 -0.000018044 -0.000016557 -0.000092729 0.000007205 0.000011163 -0.001034070 -0.004019279 -0.013896721 0.006228656 0.001221628 -0.018231516 -0.001691387 0.009049179 0.011179605 0.005343094 0.015820484 0.009701213 0.023540442 0.006193233 7 -492.618418757 PT79639.900S Mon Mar 8 14:22:22 2021 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 4 5 6 7 8 14 15 16 17 C C C N N N B C N C N 0.250928 -0.072818 -0.061601 0.303688 -0.267281 0.260741 0.418261 -0.131344 -0.284583 -0.131280 -0.284711 -0.00000 -10.36415 -10.35549 -10.33912 -10.31889 -10.31887 -6.93049 -1.25882 -1.06541 -1.02064 -1.01758 -0.95788 -0.88023 -0.79838 -0.73741 -0.73409 -0.65774 -0.62951 -0.61407 -0.60766 -0.55980 -0.54560 -0.53949 -0.52036 -0.47830 -0.47037 -0.46744 -0.44646 -0.44239 -0.43133 -0.43131 -0.41438 -0.40956 -0.37834 -0.00298 0.02123 0.03323 0.05413 0.05439 0.05803 0.06316 0.06859 0.07563 0.07857 0.08294 0.08718 0.10162 0.10207 0.11356 0.12167 0.12234 0.13186 0.13896 0.14213 0.14619 0.14781 0.15562 0.16346 0.17138 0.17867 0.18050 0.18583 0.18765 0.19027 0.19421 0.20133 0.20595 0.20780 0.21417 0.21489 0.22642 0.23354 0.24257 0.24848 0.25121 0.25225 0.27627 0.27742 0.28654 0.30048 0.30253 0.30579 0.30663 0.31909 0.32250 0.32487 0.33229 0.33347 0.33403 0.34408 0.35417 0.36143 0.36569 0.38053 0.38273 0.39161 0.39611 0.40082 0.41641 0.43594 0.45019 0.45163 0.46236 0.49937 0.50169 0.51921 0.54747 0.55640 0.56088 0.57982 0.59124 0.61678 0.65114 0.65455 0.65967 0.67468 0.69282 0.70865 0.71331 0.73508 0.73693 0.74142 0.76860 0.77918 0.78092 0.79823 0.80941 0.81226 0.83072 0.85866 0.87599 0.87848 0.89838 0.90031 0.91655 0.92185 0.93707 0.94095 0.95823 0.98461 0.99960 0.99985 1.02024 1.02544 1.03218 1.04776 1.05329 1.08320 1.08680 1.09913 1.10558 1.10882 1.12883 1.17356 1.21279 1.27051 1.30846 1.31659 1.32987 1.34020 1.34815 1.35742 1.37200 1.40795 1.42721 1.43132 1.44186 1.46545 1.49190 1.50763 1.52401 1.57520 1.57734 1.60066 1.60961 1.62259 1.63840 1.65210 1.67845 1.71832 1.72685 1.77614 1.79561 1.81782 1.82141 1.84521 1.85371 1.90227 1.92713 1.93083 1.95872 2.00592 2.01403 2.07039 2.11143 2.14162 2.15134 2.16328 2.17566 2.18235 2.19115 2.19838 2.23287 2.23558 2.34437 2.35858 2.40782 2.40981 2.46631 2.48003 2.48462 2.54111 2.56172 2.58610 2.60807 2.64243 2.67456 2.69647 2.69740 2.74622 2.75485 2.76962 2.80684 2.81018 2.81797 2.83761 2.88646 2.89795 2.92891 2.94792 2.96396 2.97875 2.99635 3.01076 3.02161 3.03525 3.09454 3.10026 3.11575 3.14805 3.17017 3.17033 3.23528 3.26084 3.44554 3.50129 3.54057 3.61683 3.66063 3.69918 3.75522 3.77309 3.87916 3.91218 4.00931 4.09291 4.10008 4.10329 4.11236 4.12754 4.13274 4.20181 4.33640 4.66582 4.69781 4.70907 4.91786 5.08229 5.72063 14.74123 23.88255 24.03700 24.21079 24.27780 24.29627 35.51458 35.63572 35.71430 35.97553 35.98462 34 35 36 37 38 39 40 41 42 43 O|O|O|O|O|V|V|V|V|V -0.43133 -0.43131 -0.41438 -0.40956 -0.37834 -0.00298 0.02123 0.03323 0.05413 0.05439 0.00156 0.00005 -0.00001 0.00031 0.00004 0.00182 0.00054 -0.02217 0.01031 0.00462 0.00259 0.00008 -0.00002 0.00058 0.00006 0.00307 0.00090 -0.03587 0.01649 0.00737 0.01031 0.00014 0.00159 -0.01830 -0.00010 0.01075 0.00158 0.02231 0.00031 -0.00248 -0.01392 0.00219 -0.03374 0.00099 0.00529 0.00426 -0.00525 -0.00264 -0.02042 0.00847 0.00780 0.00533 -0.06436 0.00380 0.01220 -0.00213 -0.01185 0.00226 -0.00251 0.02393 -0.00762 -0.00019 -0.00024 -0.00236 -0.00008 -0.00882 -0.00333 0.09706 -0.03689 -0.01605 0.01820 0.00032 0.00230 -0.02518 -0.00007 0.02000 0.00360 0.04087 -0.01122 -0.00964 -0.02024 0.00316 -0.04880 0.00016 0.00767 0.00796 -0.01622 -0.00273 -0.04051 0.01391 0.01136 0.00774 -0.09297 0.00621 0.01760 -0.00368 -0.03315 0.00342 -0.00379 0.04533 -0.03254 -0.00144 0.00291 -0.01798 -0.00185 -0.05474 -0.00322 0.60215 -0.36835 -0.16961 0.01740 0.00031 0.00152 -0.01760 0.00161 0.04592 0.00184 -0.11137 0.15808 0.05961 -0.01844 0.00249 -0.04424 0.00580 -0.00148 0.01683 0.00649 -0.05764 -0.00673 0.04831 0.01208 0.00687 -0.08381 0.00394 0.00981 -0.00982 -0.00515 0.01989 -0.01639 0.03256 -0.01257 -0.00339 0.00067 -0.04575 -0.00249 -0.09698 -0.10214 7.14289 -4.20065 -1.90598 -0.00471 -0.00032 -0.00099 0.01791 0.00178 0.02555 0.01026 -0.36611 0.16401 -0.00924 -0.01245 -0.00020 0.00807 -0.00736 -0.01393 0.06629 -0.00363 -0.22974 -0.53202 0.27456 0.00960 -0.00155 0.01282 0.00548 -0.00819 -0.04553 -0.12178 0.09487 -0.07573 0.74336 0.00079 0.00041 -0.00356 -0.00045 0.00280 -0.00023 -0.00048 -0.00344 0.00145 -0.00503 0.00066 0.00141 -0.01947 -0.00056 0.00685 0.00113 0.02584 -0.00058 0.00012 -0.00245 0.00200 0.00014 -0.00219 -0.00246 -0.00075 0.00204 0.00501 -0.00120 -0.00120 0.00376 0.00019 0.00010 -0.00033 -0.00225 0.00091 0.00279 -0.00269 0.00347 0.00240 -0.00151 -0.00205 0.00074 -0.01088 0.00363 0.00407 -0.00203 0.01374 0.00216 0.00258 -0.00090 -0.00979 -0.00029 -0.00011 -0.00131 0.00004 -0.00745 0.00010 -0.01149 -0.00817 -0.00393 -0.01610 -0.00048 -0.00017 -0.00211 0.00007 -0.01211 0.00015 -0.01920 -0.01336 -0.00643 -0.02921 -0.00090 -0.00112 0.02757 -0.00421 -0.01259 -0.00305 0.01242 0.00829 0.00568 0.00699 -0.00019 0.04621 0.01427 0.06754 -0.00673 0.05294 -0.01232 -0.00774 -0.04112 -0.00455 -0.00076 0.08478 -0.01245 0.12915 0.00359 0.10242 0.00817 0.03994 -0.05608 0.04853 0.00147 0.00037 0.00554 -0.00032 0.04039 -0.00026 0.07133 0.03969 0.01928 -0.04227 -0.00128 -0.00199 0.04285 -0.00671 -0.01281 -0.00476 0.00661 0.00526 0.00555 0.01417 -0.00063 0.07511 0.02243 0.11053 -0.00620 0.08141 -0.01536 -0.01064 -0.06332 -0.00865 -0.00212 0.13815 -0.01993 0.21099 0.00359 0.15697 0.01060 0.05958 -0.08624 0.08846 0.00267 0.00131 0.04405 0.00427 0.12233 -0.00435 0.00889 0.08109 0.03747 -0.03221 -0.00110 0.00055 0.02779 -0.00696 -0.02249 -0.01266 0.16140 0.14322 0.06370 0.01197 0.00042 0.05855 0.02804 0.10066 0.00900 0.14932 -0.12285 -0.01596 -0.14273 -0.00735 0.00010 0.10706 -0.02112 0.18856 -0.00481 0.29606 0.07294 0.14770 -0.21101 -0.13022 -0.02136 0.03069 0.59076 0.00549 -1.91051 -0.50484 -0.18923 -6.90579 -2.09401 -0.00732 0.00482 -0.00523 -0.10772 -0.00587 0.74586 0.18337 1.47148 3.36206 1.17592 -0.03977 0.00311 0.02541 0.08680 0.01641 -0.08796 0.10851 -1.84254 -2.89615 -1.39093 0.01956 0.01237 0.03569 -0.05208 0.03312 0.07492 0.27563 0.97228 1.77295 0.41986 -0.00055 0.00095 -0.01451 -0.00121 -0.00343 0.00381 0.01588 -0.00055 -0.00213 0.00095 0.00369 -0.00065 0.01209 0.00325 -0.01693 -0.00153 -0.00828 -0.00132 0.00838 -0.02288 0.00052 -0.00078 0.01207 0.00022 0.00169 0.00153 -0.01268 -0.00108 0.00176 -0.00258 0.00202 0.00066 -0.00884 0.00551 -0.00083 -0.00446 0.00954 -0.00004 0.00162 0.00342 -0.00676 -0.00055 0.00525 -0.00699 -0.00895 0.00202 -0.00342 0.00261 0.00899 -0.01015 -0.00664 -0.00020 0.00017 0.00584 -0.00002 -0.00012 -0.00015 0.00523 0.00033 0.00040 -0.01395 -0.00039 -0.00020 0.00599 0.00008 -0.00126 0.00012 0.02084 0.01164 0.00613 0.00120 -0.00008 0.00094 0.02085 0.00079 -0.03987 -0.00787 -0.49218 -0.48570 -0.19874 -0.00844 -0.00174 -0.00016 0.04139 -0.00049 -0.33683 -0.03820 -2.87540 -4.80930 -2.09549 -0.00019 -0.00001 -0.00003 0.00236 -0.00035 -0.00161 -0.00069 -0.00663 -0.00537 -0.00185 -0.00193 -0.00014 0.00370 -0.00013 0.00572 0.00199 0.00835 0.00605 0.00939 -0.00308 0.00101 -0.00012 0.00706 -0.00034 0.01092 -0.00104 0.01571 -0.00303 0.00147 -0.01307 0.01725 0.00052 -0.00029 -0.00705 -0.00005 -0.00886 0.00005 0.00053 -0.00143 -0.00056 0.02783 0.00083 -0.00047 -0.01142 -0.00008 -0.01459 0.00007 0.00067 -0.00223 -0.00087 0.07018 0.00193 0.00124 0.00414 -0.00435 -0.02196 0.00002 -0.00355 0.00251 -0.00271 0.04263 0.00458 -0.01660 0.08560 0.07272 -0.01387 -0.00208 0.00100 -0.03287 0.05667 -0.02054 0.00580 -0.04155 -0.04260 0.13829 0.00667 -0.00455 -0.00094 -0.04838 0.11335 -0.07640 -0.00227 0.00160 0.04017 0.00028 0.04061 0.00009 0.00500 0.00747 0.00282 0.09458 0.00264 0.00185 0.00420 -0.00714 -0.03064 0.00066 0.00053 -0.00462 -0.00873 0.06009 0.00574 -0.02725 0.13571 0.11889 -0.01987 -0.00649 -0.00001 -0.05560 0.08662 -0.02913 0.00682 -0.06766 -0.06749 0.22617 0.00958 -0.01332 -0.00024 -0.07419 0.17908 -0.07158 -0.00236 0.00379 0.03479 -0.00165 0.14697 -0.00478 0.10155 0.12506 0.05516 0.03943 0.00067 0.00285 -0.00012 -0.00783 -0.08615 -0.00388 0.02838 0.17036 0.06166 0.04025 0.00853 -0.02048 0.09079 0.10223 -0.00825 0.01358 -0.00118 -0.07462 0.20253 -0.02048 0.01348 -0.04958 -0.04524 0.19582 0.00212 0.02258 -0.00022 -0.17161 0.36524 -0.02438 0.01411 -0.01344 -0.28941 -0.01142 2.76294 0.51094 3.13230 8.10879 2.76970 0.18099 0.01448 -0.01486 -0.34017 0.00487 0.35181 0.14096 -0.30440 5.05405 1.84331 0.05361 -0.01502 -0.02756 -0.05904 -0.00800 -0.13727 -0.00793 0.99276 1.69830 1.25638 -0.02068 -0.03346 -0.04430 0.02387 -0.02040 0.07933 0.03767 -0.47509 -1.14758 0.34243 0.00035 -0.00152 0.01676 -0.00148 -0.00444 -0.00134 0.02026 -0.00291 -0.00674 0.00745 0.00287 0.00230 0.01159 -0.00449 0.01607 0.00614 0.02192 0.00180 0.00587 -0.00734 -0.00079 0.00134 -0.01293 -0.00491 0.00451 0.01229 -0.01466 -0.00294 -0.00061 -0.00979 -0.00097 -0.00105 0.00864 -0.00745 -0.00360 0.02046 0.00990 0.00182 -0.00367 0.00564 -0.00570 0.00090 0.00734 0.00677 0.00817 -0.01050 0.01230 -0.00239 -0.00186 -0.00548 0.00338 0.00007 0.00125 0.01900 -0.00006 -0.00734 -0.00037 0.00254 -0.00149 -0.00077 0.00551 0.00011 0.00204 0.03117 -0.00010 -0.01226 -0.00060 0.00415 -0.00265 -0.00136 -0.00275 0.00032 -0.00336 0.05822 0.00188 -0.01456 0.00623 -0.00510 0.01478 0.00672 0.00841 -0.00545 0.07930 -0.04428 -0.02420 0.01856 -0.07786 -0.00666 0.00374 0.00267 -0.00377 -0.01115 0.15706 0.01524 -0.04653 -0.01068 -0.14891 0.00103 -0.00172 0.00104 -0.01699 -0.00034 -0.00635 -0.10120 0.00028 0.04241 0.00155 -0.01004 0.01294 0.00646 -0.00391 0.00049 -0.00498 0.09276 0.00292 -0.02648 0.00946 -0.00681 0.02023 0.00923 0.01068 -0.00849 0.12366 -0.07060 -0.03834 0.02885 -0.11892 -0.00704 0.00987 0.00578 -0.00457 -0.01715 0.24501 0.02465 -0.07332 -0.01674 -0.22770 0.00016 -0.00477 -0.00044 -0.02514 -0.00040 -0.01132 -0.15739 0.00038 0.07814 0.00554 -0.03326 0.01796 0.00772 0.00963 0.00091 -0.00592 0.09668 0.00298 0.00336 0.01508 -0.08951 0.07728 0.03628 0.02827 -0.00786 0.12184 -0.05460 -0.03618 0.07031 -0.17369 -0.06250 -0.00299 0.00517 -0.01356 -0.01754 0.24040 0.01634 -0.07449 -0.03721 -0.32816 0.02340 -0.00169 0.02076 0.02333 0.00338 -0.02011 -0.12892 0.00186 0.35530 0.06314 -0.07952 2.62455 0.99752 0.04654 0.00033 0.00146 0.04623 -0.00076 -0.15800 -0.00868 -1.72695 0.34228 0.23987 0.04180 0.00056 0.00506 0.01111 -0.01133 0.02803 -0.20688 0.08339 1.01406 0.34238 -0.02101 -0.00220 0.01165 -0.00531 -0.03189 -0.01889 -0.33767 -0.09192 -0.47230 -0.31609 0.00134 0.00032 0.00691 -0.00013 0.01814 0.00248 -0.00199 -0.00346 0.00638 -0.01353 -0.00091 0.00077 -0.00651 -0.00108 0.00624 -0.00084 -0.01592 0.00088 0.00331 -0.00243 -0.00207 -0.00022 -0.00627 -0.00342 -0.01399 0.00064 0.00098 -0.00411 -0.00534 0.01034 -0.00540 -0.00005 0.00420 -0.00592 0.01009 -0.00368 -0.00041 0.00049 0.00298 -0.00814 0.00124 0.00046 -0.00295 0.00287 0.00393 0.00083 -0.00840 -0.00127 -0.00283 -0.00332 -0.00305 -0.00007 -0.00182 -0.03580 -0.00008 0.00934 0.00002 -0.00868 -0.00037 -0.00023 -0.00487 -0.00011 -0.00295 -0.05813 -0.00013 0.01530 0.00003 -0.01443 -0.00074 -0.00043 0.04400 0.00148 0.00058 -0.01612 0.00455 0.00690 -0.00563 0.00411 0.00029 -0.00337 0.05555 -0.00088 -0.01401 0.09853 -0.07398 0.00151 0.08479 0.00395 -0.02710 0.03014 -0.02760 -0.00558 -0.03777 -0.05013 -0.14126 0.00026 0.16045 -0.00002 -0.02430 0.06763 0.00834 0.00015 0.00846 0.16701 0.00054 -0.04636 -0.00023 0.04944 0.00612 0.00297 0.06669 0.00225 0.00069 -0.02719 0.00704 0.01254 -0.00816 0.00618 0.00628 -0.00272 0.08479 -0.00120 -0.02236 0.14284 -0.11509 0.00660 0.12796 0.00272 -0.04359 0.04285 -0.04219 -0.00830 -0.05847 -0.07252 -0.21978 -0.00181 0.24162 0.00148 -0.03335 0.10113 0.04022 0.00088 0.01348 0.27448 -0.00143 -0.10681 0.00183 0.07734 0.01690 0.01252 0.04003 0.00126 0.00417 0.01734 0.00616 -0.02424 -0.01440 0.02226 -0.03524 -0.01887 0.06139 -0.00244 -0.02187 0.10914 -0.11016 0.00378 0.18205 0.02735 -0.06283 0.07148 -0.03046 -0.00896 -0.05478 -0.05372 -0.21114 -0.00109 0.34958 -0.00858 -0.06270 0.15967 0.13234 0.01134 -0.00673 -0.33491 0.01919 0.11279 -0.08509 -2.05514 1.98583 1.28646 -0.07129 -0.00446 0.00692 0.13070 -0.00621 -0.03373 0.03643 0.06255 -1.27880 -0.63902 -0.00106 0.00126 -0.00096 0.05211 -0.00437 -0.03164 0.18083 0.28311 -0.39533 -0.22813 -0.00199 0.00445 -0.00219 -0.02338 -0.00239 0.01751 0.30008 -0.15724 0.16018 0.18607 0.00139 -0.00065 -0.00004 0.00562 -0.01240 -0.00305 -0.00030 -0.00029 -0.00089 0.00128 0.00334 -0.00110 0.02256 -0.00776 -0.00293 0.00386 -0.00364 0.00037 -0.00685 0.01228 0.00511 0.00064 0.00180 0.00513 0.00974 0.00262 0.00022 -0.00026 -0.00041 -0.00071 0.00518 -0.00016 -0.00186 -0.00342 -0.00700 0.00941 0.00008 0.00007 -0.00048 0.00007 -0.00614 -0.00085 0.01251 0.01106 -0.00209 -0.00645 -0.00185 -0.00083 -0.00120 0.00754 -0.01583 -0.00051 0.00172 0.03321 0.00003 -0.01276 0.00008 0.00014 -0.00136 -0.00069 -0.02575 -0.00083 0.00280 0.05407 0.00005 -0.02103 0.00013 0.00029 -0.00214 -0.00109 -0.07195 -0.00248 0.01021 0.11008 -0.00014 -0.05164 0.00380 -0.00434 0.00597 0.00674 -0.01189 0.00334 -0.08504 -0.09271 0.00366 0.04714 -0.05341 -0.00773 0.01959 -0.05386 0.00329 0.00699 -0.15027 0.06181 0.00735 -0.02722 -0.10051 0.00310 0.04840 -0.09793 0.07301 0.00234 -0.00819 -0.15723 -0.00022 0.06302 -0.00025 -0.00271 0.00556 0.00276 -0.10760 -0.00370 0.01533 0.16081 -0.00018 -0.07564 0.00574 -0.00558 0.01003 0.01043 -0.01752 0.00515 -0.13193 -0.13986 0.00538 0.07033 -0.08058 -0.01127 0.02929 -0.07871 0.00477 0.01071 -0.23355 0.09349 0.01086 -0.04054 -0.15167 0.00424 0.07085 -0.14440 0.10784 0.00350 -0.01215 -0.25743 0.00063 0.10928 -0.00452 0.04644 0.01668 0.01332 -0.09478 -0.00341 0.01609 0.17356 0.00003 -0.10090 0.00648 -0.00861 -0.01557 0.00349 -0.00657 0.00586 -0.12307 -0.09491 0.00716 0.08876 -0.11980 -0.01999 0.03680 -0.14329 -0.00068 0.01139 -0.22338 0.06976 0.01430 -0.05170 -0.22463 0.00945 0.12922 -0.24383 0.00201 -0.00700 0.00635 0.22982 -0.01791 -0.30910 0.07449 -0.29079 -2.88403 -1.57833 -0.07663 -0.00692 0.01145 0.26009 -0.01069 -0.34149 0.03710 0.25928 -1.46194 -0.73933 -0.09552 -0.00259 0.00508 0.15084 -0.01001 0.07481 -0.08544 0.43220 -0.87471 -0.51179 0.04752 0.00696 -0.00843 -0.07031 -0.00491 -0.05126 -0.23067 -0.22814 0.48982 0.03354 0.00417 0.00098 -0.00457 -0.00259 0.01550 0.00635 -0.01231 -0.00264 -0.00433 0.00414 0.00286 -0.00007 -0.01137 0.00360 -0.00941 -0.00225 0.01299 -0.00089 -0.00108 0.00074 0.00014 -0.00068 0.00240 -0.00863 -0.01292 -0.00161 0.01064 -0.00181 0.00172 -0.00436 -0.00670 0.00030 -0.00207 -0.00636 0.00952 -0.01362 -0.00802 0.00148 0.00172 0.00432 -0.00633 -0.00023 -0.00650 -0.00534 -0.00423 0.00289 0.00625 0.00240 0.00131 0.00173 0.00651 0.00020 0.00001 0.00080 0.00003 -0.02116 0.00021 -0.00319 -0.00787 -0.00418 0.01016 0.00031 0.00001 0.00105 0.00004 -0.03453 0.00035 -0.00546 -0.01353 -0.00722 -0.05082 -0.00055 -0.00185 -0.03843 0.00029 -0.09606 0.00039 0.00250 -0.00201 -0.00203 -0.05052 -0.01729 0.00542 0.02632 -0.00743 0.10437 -0.00428 -0.00904 -0.02541 0.00692 0.02598 -0.02929 0.00701 -0.01543 -0.01417 -0.05773 -0.00717 0.00470 -0.00430 0.03459 -0.02459 -0.00074 -0.00026 -0.00699 -0.00021 0.09638 -0.00140 0.02487 0.06818 0.03659 -0.07694 -0.00078 -0.00284 -0.05780 0.00035 -0.17286 0.00138 0.00469 0.00401 -0.00084 -0.07972 -0.02719 0.00861 0.04285 -0.01220 0.17340 -0.01266 -0.00658 -0.01348 0.02368 0.04111 -0.04605 0.01107 -0.02496 -0.02318 -0.09642 -0.02170 0.00307 -0.01884 0.04597 -0.08192 -0.00241 0.00430 0.05804 -0.00026 0.30366 -0.00199 -0.12548 -0.33162 -0.19485 -0.07456 -0.00067 -0.00115 -0.05621 -0.00080 -0.40563 0.00905 0.04072 0.23281 0.13177 -0.09958 -0.02741 -0.01489 0.06109 0.00649 0.27103 -0.12799 0.04823 0.12607 -0.11240 0.05104 -0.04452 -0.03764 -0.03125 0.01458 -0.15597 -0.24775 -0.02960 0.10089 -0.28558 -0.10233 -0.00203 0.00248 0.01086 -0.00045 -0.06663 0.08181 -1.15982 -2.71698 -1.64728 -0.07198 -0.00041 0.00312 -0.00679 -0.00135 0.49528 0.04007 0.46276 0.88421 0.57689 -0.04134 -0.02531 -0.02437 0.03575 -0.00118 0.09554 0.01404 -0.16640 0.79623 -0.73875 0.02086 -0.04448 -0.04883 -0.01543 -0.00199 -0.03695 -0.00179 0.13461 0.53160 -1.70210 0.02938 -0.01623 0.00638 -0.00197 -0.01424 0.00114 0.01221 -0.00258 -0.00211 -0.02677 0.00424 0.01334 -0.00549 0.00656 0.02016 -0.00775 0.00396 -0.00056 -0.02236 0.04558 0.02675 0.01534 -0.00625 -0.01256 0.01269 0.02268 -0.00977 -0.00682 -0.02451 0.01220 -0.01084 -0.01103 0.00335 -0.01411 -0.00957 0.02825 0.00688 -0.00486 0.00607 -0.01622 -0.01381 0.00570 -0.00332 -0.01217 0.00983 0.01574 0.00256 0.00157 -0.00632 0.02452 -0.00799 -0.00027 0.00079 0.01188 -0.00004 -0.11025 0.00045 0.01222 0.01585 0.00856 -0.00980 -0.00029 0.00124 0.01288 0.00009 -0.24651 -0.00040 0.03704 0.05103 0.02968 0.00001 -0.00110 0.00324 0.06551 -0.00298 -0.57977 0.00889 0.14119 -0.17208 -0.09508 0.10150 0.00323 -0.00363 -0.06876 -0.00010 -0.88424 -0.01827 -1.24569 -0.65659 -0.41438 0.00736 0.00021 -0.00054 -0.01632 -0.00013 0.01449 0.00028 0.00220 0.00037 0.00050 0.00727 0.00057 -0.00407 -0.01401 0.00158 -0.00499 -0.00733 -0.00201 -0.00360 -0.00428 -0.00363 0.00055 -0.00604 0.00724 0.00302 0.00300 -0.01407 0.00098 0.00394 -0.00226 -0.02733 -0.00088 0.00349 0.07037 0.00007 -0.03175 0.00023 0.00041 0.00704 0.00378 -0.04427 -0.00143 0.00603 0.12631 0.00022 -0.08677 0.00038 0.00552 0.01898 0.01192 -0.01361 0.00009 0.00133 0.03681 0.00112 -0.17267 0.00359 -0.12285 0.22794 0.09734 -0.07488 -0.00210 0.00366 0.04425 -0.00099 0.71537 0.02431 1.44817 1.23600 0.78204 -0.00257 -0.00007 0.00014 0.00309 0.00002 0.00058 0.00014 0.00100 0.00193 0.00128 0.00024 -0.00016 -0.00010 -0.00280 -0.00031 -0.02702 -0.00178 0.00123 0.00042 -0.00099 -0.00019 -0.00033 0.00009 0.00157 -0.00057 0.01419 -0.00370 -0.00064 0.00084 -0.00182 -0.01490 -0.00105 0.00768 0.00423 -0.00201 -0.00516 -0.00353 -0.00225 -0.00536 -0.00396 -0.01937 -0.00143 0.01231 0.01143 -0.00179 -0.01001 -0.01004 0.01034 0.00560 -0.00641 -0.00424 0.00014 0.00499 -0.00124 0.00339 -0.02588 -0.01970 -0.34287 0.12988 0.03752 0.01393 -0.00044 0.00190 0.01794 0.00738 -0.09074 -0.08898 -1.43685 2.23624 1.02261 -0.00043 -0.00004 0.00005 -0.00308 -0.00030 0.00128 0.00018 0.00219 0.00146 0.00088 0.00119 0.00023 -0.00293 0.00054 0.00032 -0.00061 0.00022 -0.00559 0.00336 0.00418 -0.00088 0.00022 -0.00374 -0.00007 0.00027 0.00042 0.00090 0.00411 -0.00449 0.00220 0.00688 0.00538 -0.06702 -0.00409 0.01590 0.00300 0.02818 0.00050 -0.00047 0.00271 0.01196 0.00869 -0.10818 -0.00743 0.02941 0.00982 0.07005 0.00179 0.00545 -0.01272 -0.00255 0.00378 -0.04828 -0.00515 0.03002 0.03090 0.12062 -0.29598 0.16766 0.02553 0.00245 0.00300 -0.03500 -0.00920 0.01037 0.04585 0.53474 -1.75598 1.55006 -1.00626 0.00021 -0.00025 0.00296 -0.00050 -0.00116 0.00068 0.00391 -0.00101 0.00073 -0.00046 -0.00106 0.00001 -0.00076 0.00013 -0.00006 0.00045 0.00042 -0.00112 -0.00009 0.00238 -0.00046 -0.00034 0.00446 0.00098 -0.00029 -0.00062 0.00236 -0.00980 0.00378 -0.00409 0.00976 -0.00426 0.05896 -0.01252 -0.01388 0.00366 -0.02504 0.00050 0.00142 -0.00074 0.01693 -0.00702 0.09385 -0.02078 -0.02704 0.01129 -0.06402 -0.00206 -0.01143 0.01860 0.00173 -0.00201 0.04284 -0.00935 -0.03027 0.02756 -0.07412 -0.29641 0.12441 0.12862 0.00605 -0.00045 0.03249 -0.01348 -0.01412 0.03996 -0.40819 -1.83382 0.18744 1.83594 -0.00012 0.00027 -0.00308 0.00012 0.00134 0.00073 -0.00350 -0.00240 -0.00003 0.00068 0.00016 -0.00028 0.00401 -0.00153 -0.00005 0.00093 0.00148 0.00827 0.00177 -0.00531 0.00115 0.00005 -0.00027 -0.00064 0.00025 -0.00014 0.00046 0.00495 -0.00096 -0.00121 -0.00705 0.00640 -0.00279 0.00227 0.00893 -0.00028 -0.00327 -0.00072 -0.00514 0.01103 -0.01174 0.01068 -0.00453 0.00368 0.01451 -0.00053 -0.00510 -0.00130 -0.00852 0.01826 0.07164 0.03204 0.01122 0.04512 -0.02357 -0.04122 0.00454 0.00341 -0.01308 0.02875 0.07603 0.11153 0.00924 -0.03156 -0.00750 0.03984 -0.00793 -0.00736 -0.02613 0.00603 -0.03620 0.06499 -0.01284 0.02463 0.02813 -0.00935 -0.00800 0.00013 -0.01507 0.03495 0.03116 -0.02930 0.01050 -0.00897 -0.03881 0.00738 0.00363 0.00733 0.02825 -0.05603 0.10316 0.05381 0.01500 0.07024 -0.03398 -0.07062 0.00206 0.00476 -0.02548 0.04699 0.11335 0.17254 0.01495 -0.04732 -0.01203 0.06860 -0.01336 -0.01047 -0.04930 0.01081 -0.03827 0.08427 -0.01341 0.03326 0.03054 -0.01925 -0.00332 -0.00198 -0.02323 0.04209 0.03915 -0.02799 0.04602 -0.02669 -0.06483 -0.05202 0.18226 -0.05264 -0.04636 -0.14548 0.08633 0.04517 0.01839 0.05736 -0.02859 -0.07568 0.04999 0.03367 0.00314 0.18081 0.10331 0.13508 0.01329 -0.04450 -0.01065 0.08331 0.00333 -0.03051 -0.04638 0.03451 -0.02182 0.05582 -0.01625 0.03370 0.03698 0.00678 -0.07116 -0.07755 -0.20126 -0.20115 0.09532 0.04389 0.05787 -0.07612 -0.00281 -0.17358 0.15527 0.12781 1.51856 2.93982 0.05074 0.04004 0.00898 0.00270 0.00631 -0.27711 0.02633 0.01053 0.29980 0.16224 0.04706 0.08061 0.02824 -0.03640 0.02274 -0.03755 -0.13360 -0.07682 -0.02550 0.23360 -0.01179 0.02195 0.02086 0.02990 0.01045 0.03555 -0.03399 -0.12964 -0.73671 -0.50576 0.00709 0.00587 0.00087 0.00608 -0.00087 0.01276 0.00075 0.00196 0.00610 0.00517 0.01267 0.00781 0.00126 0.01223 -0.00287 0.02277 -0.00170 -0.00157 0.00276 -0.01398 0.01816 0.02182 0.00083 -0.00914 -0.00047 -0.02324 0.00263 0.00313 0.00710 -0.00110 -0.00370 -0.00272 -0.00012 -0.00420 0.00134 -0.00530 0.00283 -0.00014 -0.00171 0.00373 -0.00569 -0.00550 -0.00057 0.00136 0.00124 0.00885 -0.00052 -0.00112 -0.00371 0.00506 -0.00652 0.00652 -0.00113 0.00078 0.00050 -0.00157 0.00157 -0.00266 -0.00443 -0.00921 -0.01041 0.01046 -0.00178 0.00122 0.00070 -0.00259 0.00271 -0.00432 -0.00713 -0.01487 0.05633 0.06953 0.00593 0.06890 -0.01698 0.07472 -0.01048 0.00074 0.02176 -0.03718 0.09097 0.13698 0.01083 -0.04209 -0.00960 -0.07046 0.01363 0.01159 0.02481 -0.00329 0.07150 -0.02878 0.01493 0.00802 -0.02677 0.01707 0.00078 0.00085 0.01130 -0.01948 0.02814 -0.02889 0.00480 -0.00296 -0.00054 0.00834 -0.00960 0.01208 0.01897 0.03953 0.08532 0.10343 0.00934 0.10347 -0.02651 0.11195 -0.01608 0.00059 0.02957 -0.05590 0.13636 0.20629 0.01647 -0.06305 -0.01522 -0.10420 0.02214 0.01769 0.03668 -0.00473 0.10367 -0.03934 0.02201 0.01230 -0.03947 0.02515 0.00437 0.00165 0.01881 -0.02712 0.06756 -0.06491 0.01079 -0.01139 -0.02128 0.01061 -0.00675 0.07383 0.14501 0.25304 0.06725 0.07693 0.00586 0.07975 -0.02237 0.13164 -0.02496 0.00873 0.07320 -0.06553 0.10249 0.15742 0.01258 -0.04925 -0.01024 -0.13199 0.01651 0.02322 0.05539 -0.00879 0.06941 -0.02019 0.01708 0.01252 -0.02580 0.02835 0.00363 -0.02421 -0.03314 -0.10626 0.01520 -0.03890 -0.01430 -0.01052 -0.02035 0.02639 -0.01132 0.17936 0.41375 -0.03574 -0.00679 -0.01012 -0.00138 0.00005 -0.00462 0.13097 -0.02171 -0.00408 -0.01413 -0.07754 -0.00782 -0.01830 -0.00614 0.00442 -0.00992 -0.06082 0.06459 0.04224 0.04843 -0.03950 0.00152 -0.00442 -0.00299 -0.00001 -0.00234 0.02127 -0.00890 -0.01038 0.02066 0.08937 -0.01106 0.00094 -0.00242 -0.00270 0.00425 0.00139 -0.00155 0.00062 0.00135 0.00156 -0.00552 -0.00996 -0.00030 -0.00861 0.00152 0.00106 0.00134 -0.00093 -0.00020 -0.00322 -0.01195 -0.01949 -0.00161 0.00547 0.00137 -0.00129 0.00031 0.00019 0.00200 -0.00059 0.00191 0.00210 0.00020 0.00264 -0.00063 -0.00018 0.00012 0.00001 -0.00035 0.00077 0.00355 0.00572 0.00047 -0.00130 -0.00040 0.00069 -0.00004 -0.00008 -0.00047 0.00071 -0.00662 -0.00682 0.00303 0.00200 -0.00895 -0.00030 0.00330 -0.00062 0.00508 -0.01110 -0.01104 -0.01137 0.00491 0.00324 -0.01454 -0.00058 0.00516 -0.00115 0.00840 -0.01841 0.07374 -0.03403 -0.00598 0.04608 0.02248 -0.04055 -0.00369 0.00315 0.01329 -0.03046 0.07542 -0.00658 -0.02024 -0.03548 0.02801 0.02935 -0.00247 -0.00433 -0.02009 0.01299 -0.04575 0.12437 0.00142 0.01423 0.01109 -0.02942 -0.01092 0.00585 0.00102 0.03815 0.02924 0.03113 -0.01142 -0.00797 0.03891 0.00760 -0.00425 0.00733 -0.02506 0.05881 0.10743 -0.05645 -0.00720 0.07133 0.03294 -0.06957 -0.00110 0.00410 0.01838 -0.05275 0.10036 -0.02467 -0.02581 -0.05051 0.03283 0.05317 0.00409 -0.00409 -0.02720 0.00985 -0.07713 0.18251 0.00665 0.02317 0.00928 -0.04885 -0.01243 0.00968 0.01035 0.06066 0.03686 0.03040 -0.04848 -0.02185 0.06498 -0.05270 -0.17683 -0.05669 -0.13064 0.04367 0.09065 -0.04636 -0.01193 0.05905 0.02706 -0.07336 -0.04640 0.02837 0.12140 -0.11086 0.08078 -0.02764 -0.02745 -0.04937 0.03681 0.03948 -0.06194 0.04235 0.22935 -0.00393 -0.07634 0.13589 0.00326 0.02016 0.01329 -0.07610 -0.03904 0.06838 0.16320 0.07056 0.09502 -0.03709 -0.06730 -0.06729 0.00672 -0.17690 -0.20041 0.18677 3.07308 -0.72934 0.05321 -0.03982 -0.01152 0.00506 -0.00566 -0.27592 -0.04771 0.01857 0.28580 0.04936 0.03913 -0.02578 -0.00330 -0.04415 -0.00362 -0.05862 0.03940 0.08402 0.78311 0.09690 -0.03440 0.07457 0.03559 0.00890 0.02420 -0.00018 -0.12938 0.07839 0.38347 0.28631 0.01764 -0.01812 -0.00135 -0.00569 0.00110 -0.01767 -0.00044 0.00267 0.00210 0.00732 -0.00427 0.00142 -0.00048 -0.00810 -0.00081 -0.01982 -0.00128 0.00146 0.00316 -0.00161 0.01017 -0.00998 -0.00099 -0.00085 0.00007 -0.00151 -0.00290 0.00255 0.00903 0.00102 0.00315 -0.00536 -0.00088 -0.00965 -0.00100 -0.02005 -0.00242 0.00008 -0.00251 0.00051 -0.01458 0.00898 0.00046 -0.00984 -0.00319 -0.01473 -0.00097 0.00050 0.00744 -0.01254 -0.00610 -0.00691 0.00123 0.00069 -0.00050 -0.00156 -0.00148 -0.00270 -0.00957 0.00215 -0.00973 -0.01108 0.00194 0.00108 -0.00070 -0.00258 -0.00257 -0.00440 -0.01544 0.00350 0.06642 -0.06790 0.00005 0.06824 0.01884 0.07359 0.00951 0.00126 -0.01315 0.04078 0.00116 -0.10380 0.00282 -0.02916 -0.01613 -0.05225 -0.00647 0.00580 0.01279 -0.00301 -0.11770 0.08546 0.02091 0.03196 -0.02229 0.05187 0.01176 -0.00966 -0.00680 -0.02858 0.02628 0.03058 -0.00517 -0.00259 0.00057 0.00832 0.00916 0.01246 0.04125 -0.00951 0.10023 -0.10117 -0.00034 0.10253 0.02928 0.11027 0.01441 0.00142 -0.02174 0.05904 0.00445 -0.15283 0.00373 -0.04389 -0.02313 -0.07713 -0.00813 0.00849 0.01645 -0.00474 -0.17456 0.13120 0.03130 0.04772 -0.03368 0.07683 0.02087 -0.01458 -0.01203 -0.04259 0.06326 0.06885 -0.01238 -0.01057 0.02090 0.01060 0.00508 0.07213 0.27354 -0.03456 0.07794 -0.07560 0.00102 0.07905 0.02427 0.12945 0.02312 0.00816 -0.00562 0.09962 0.01003 -0.10808 0.00278 -0.03674 -0.01496 -0.09513 -0.00547 0.03329 0.09589 0.00184 -0.12667 0.10622 0.02387 0.03552 -0.02205 0.09881 0.01552 -0.00623 0.03440 -0.05816 0.01355 0.04009 0.01341 -0.01261 0.02012 0.02658 0.01251 0.15950 0.26155 0.36416 -0.00726 0.01033 0.00182 -0.00027 0.00475 0.12993 0.02297 -0.00669 -0.06100 0.05081 -0.00611 0.00665 0.00123 0.00201 0.00385 -0.04849 -0.04275 0.02041 -0.05710 0.07903 0.00645 -0.01658 -0.00697 -0.00272 -0.00919 0.04349 0.04890 -0.01302 -0.04898 -0.02807 -0.01159 0.01625 0.00181 0.00333 -0.00137 -0.00106 -0.00011 0.00017 0.00059 0.00195 0.00172 -0.00209 0.00062 0.00592 0.00089 -0.00117 0.00064 0.00057 0.00108 -0.00055 -0.01210 0.00370 0.00258 0.00124 -0.00355 0.00054 0.00113 0.00065 0.00211 0.00039 0.00115 0.00905 -0.00019 0.00529 0.00216 -0.00145 -0.00117 -0.00038 -0.00061 0.00036 0.00794 -0.01078 0.00000 0.00658 0.00180 -0.00058 0.00098 0.00069 0.00201 -0.00200 1 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 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 H 1S 2S 3S 4S 5PX 5PY 5PZ 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 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 6 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 7 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 8 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 9 H 1S 2S 3S 4S 5PX 5PY 5PZ 10 H 1S 2S 3S 4S 5PX 5PY 5PZ 11 H 1S 2S 3S 4S 5PX 5PY 5PZ 12 H 1S 2S 3S 4S 5PX 5PY 5PZ 13 H 1S 2S 3S 4S 5PX 5PY 5PZ 14 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 15 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 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 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 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 1 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|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 H 1S|2S|3S|4S|5PX|5PY|5PZ|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 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|6 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|7 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|8 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|9 H 1S|2S|3S|4S|5PX|5PY|5PZ|10 H 1S|2S|3S|4S|5PX|5PY|5PZ|11 H 1S|2S|3S|4S|5PX|5PY|5PZ|12 H 1S|2S|3S|4S|5PX|5PY|5PZ|13 H 1S|2S|3S|4S|5PX|5PY|5PZ|14 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|15 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|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 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 1.10433 0.88494 0.17583 0.23065 0.23313 0.74068 0.44611 0.54730 0.55281 0.49347 0.12492 0.32961 0.34145 0.11976 -0.00078 -0.00125 0.01541 0.00990 0.01214 0.00873 0.01532 0.01100 1.10438 0.88461 0.23871 0.20858 0.19394 0.75514 0.53048 0.48198 0.47832 0.49135 0.18335 0.16866 0.29577 0.11083 0.06922 0.03456 0.02949 0.00810 0.01455 0.01166 0.01763 0.02284 0.26750 0.47859 0.00689 -0.05470 0.00780 0.01064 0.00775 1.10444 0.88456 0.24357 0.20691 0.18621 0.75918 0.53957 0.49176 0.46773 0.47074 0.18503 0.19439 0.31095 -0.04672 -0.01715 0.03291 0.00963 0.00971 0.01273 0.01263 0.02327 0.01762 1.09541 0.89598 0.25361 0.25790 0.27560 0.87310 0.58965 0.59540 0.62810 0.60281 0.29191 0.32676 0.46666 -0.30560 -0.09025 -0.07704 -0.05774 0.00749 0.00944 0.00716 0.01409 0.01521 1.09593 0.89540 0.20959 0.28190 0.24269 0.93468 0.50713 0.63190 0.55909 0.81498 0.11592 0.31729 0.37505 0.01733 0.15286 0.07520 0.02389 0.00723 0.01407 0.00780 0.00949 0.02161 1.09568 0.89564 0.27530 0.24664 0.23928 0.90159 0.62471 0.56770 0.55503 0.74342 0.35739 0.28527 0.42383 -0.32981 0.15720 -0.03250 -0.02516 0.00670 0.00822 0.00668 0.01368 0.01206 1.13229 0.85483 0.15953 0.14166 0.16544 0.64361 0.38225 0.36497 0.40551 0.02137 0.02102 0.07105 0.05909 0.08359 -0.03269 -0.00271 0.00989 0.03084 0.02886 0.03229 0.01921 0.03033 0.19299 0.41640 0.04483 0.00344 0.02268 0.01657 0.00579 0.25790 0.56174 0.11757 -0.07029 0.01028 0.00504 0.00243 0.26925 0.46739 0.01803 0.00474 0.00296 0.01143 0.00776 0.27040 0.47357 0.02354 -0.00783 0.00480 0.00534 0.01188 0.27037 0.47463 0.03095 -0.00558 0.00584 0.00905 0.00720 1.10473 0.88369 0.18306 0.17479 0.28167 0.79348 0.42849 0.42271 0.48626 0.46877 0.28964 0.31293 0.11383 -0.01274 0.07180 0.06055 0.03261 0.01446 0.01713 0.01834 0.00151 0.00136 1.09599 0.89497 0.21526 0.20686 0.31473 0.94047 0.48754 0.47432 0.64283 0.92873 0.35937 0.36305 0.31642 0.04361 -0.01588 -0.02107 0.00196 0.01206 0.01073 0.01046 0.00081 0.00082 1.10473 0.88369 0.18017 0.25064 0.20872 0.79349 0.42648 0.46808 0.44287 0.46875 0.29597 0.16795 0.25267 -0.01299 0.07120 0.03896 0.05416 0.01294 0.00572 0.01119 0.00972 0.01323 1.09599 0.89497 0.21271 0.28226 0.24188 0.94046 0.48365 0.59172 0.52933 0.92870 0.36109 0.32748 0.35026 0.04365 -0.01607 -0.00464 -0.01409 0.00707 0.00378 0.00916 0.00720 0.00767 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 C C H C N N N B H H H H H C N C N -0.395459 -0.334138 0.275533 -0.099687 0.324360 -0.311043 -0.028551 0.377767 0.297295 0.115328 0.218432 0.218309 0.207541 -0.149077 -0.284020 -0.148343 -0.284246 -0.00000 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] alpha 34 35 36 37 38 39 40 41 42 43 O O O O O V V V V V -0.431329 -0.431311 -0.414381 -0.409560 -0.378338 -0.002980 0.021226 0.033231 0.054132 0.054390 1.628229 1.533468 1.679589 1.901320 1.451410 1.259943 1.765898 0.160247 0.351284 0.983498 4.907995020816D+02 8.0530 4.0230 -1.8233 9.1848 -78.9751 -90.8114 -83.5947 -25.9983 12.4359 2.6305 5.4853 -6.3510 0.8657 -25.9983 12.4359 2.6305 427.3222 441.4938 -196.8257 237.9219 203.6891 -92.3213 197.5068 149.0426 -30.7063 -19.7357 -2885.9874 -2467.7837 -1074.7025 -1323.1232 607.2004 -1471.9463 163.6840 698.7437 420.9652 -1198.4400 -874.2897 -543.6239 166.3920 124.6583 -495.9683 0 -492.6184188 4.291E-9 2.675E-6 4.0781787,-4.7218423,0.6436635,-19.3290937,9.2458095,1.9557151 C01 [X(C5H6B1N5)] 3.1683044 1.5827772 -0.7173322 0.000000175 -0.000000658 -0.000001492 -0.000000142 0.000000732 0.000001925 -0.000000282 0.000002248 0.000004627 -0.000000110 0.000000046 0.000000103 0.000000114 -0.000001025 -0.000000370 0.000000636 -0.000001985 -0.000003961 0.000000378 -0.000001956 -0.000003507 0.000000085 -0.000002427 -0.000005068 0.000000197 -0.000001809 -0.000004113 0.000000121 -0.000001265 -0.000003098 0.000000925 -0.000001507 -0.000002786 -0.000001344 0.000002608 -0.000000585 0.000000699 -0.000002162 0.000003125 -0.000002713 0.000004434 0.000003544 -0.000002939 0.000007537 -0.000000007 0.000001950 0.000000843 0.000005602 0.000002248 -0.000003656 0.000006062 140.898 AuxInfo=1/0/N:1,2,14,16,4,8,15,17,7,6,5;9/E:(3,4)(7,8);/CRV:2.3,3.2,4.2,5.3,6.4,7.1,8.1,9.2,10.2;/rA:17nCC3HC3NN2N2B4H0HHHHC2N1C2N1/rB:;s2;s2;s1s2;s5;s4s6;s4;;s8;s1;s1;s1;s8;s14;s8;s16;/rC:1.5995,-.1003,-.0452;-.2929,-1.6118,.6717;.3431,-2.3726,1.091;-1.6525,-1.4865,.5626;.2044,-.4895,.0977;-.759,.3037,-.349;-1.8699,-.3005,-.0672;-3.0386,-2.1806,.8806;-3.3321,-.6588,.0725;-3.9508,-1.2276,.3521;1.6264,.8112,-.6371;2.0328,.0823,.9376;2.1466,-.891,-.5568;-3.4974,-2.2264,2.3788;-3.8059,-2.2502,3.4881;-3.4213,-3.4485,.0421;-3.6733,-4.3805,-.5856; Gaussian 16 GINC-IRENE3270 ZOUBRITL MeQHBCN2 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 0 140.898 AuxInfo=1/0/N:1,2,14,16,4,8,15,17,7,6,5;9/E:(3,4)(7,8);/CRV:2.3,3.2,4.2,5.3,6.4,7.1,8.1,9.2,10.2;/rA:17nCC3HC3NN2N2B4H0HHHHC2N1C2N1/rB:;s2;s2;s1s2;s5;s4s6;s4;;s8;s1;s1;s1;s8;s14;s8;s16;/rC:1.5995,-.1003,-.0452;-.2929,-1.6118,.6717;.3431,-2.3726,1.091;-1.6525,-1.4865,.5626;.2044,-.4895,.0977;-.759,.3037,-.349;-1.8699,-.3005,-.0672;-3.0386,-2.1806,.8806;-3.3321,-.6588,.0725;-3.9508,-1.2276,.3521;1.6264,.8112,-.6371;2.0328,.0823,.9376;2.1466,-.891,-.5568;-3.4974,-2.2264,2.3788;-3.8059,-2.2502,3.4881;-3.4213,-3.4485,.0421;-3.6733,-4.3805,-.5856; MeQHBCN2 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 1 1 1 1 2 2 2 4 4 5 6 8 8 8 9 14 16 5 11 12 13 3 4 5 7 8 6 7 10 14 16 10 15 17 1.4554 1.0871 1.0895 1.0892 1.0766 1.3697 1.3552 1.3603 1.5825 1.3255 1.2956 1.4212 1.5676 1.5676 0.8857 1.1516 1.1516 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 5 5 5 11 11 12 3 3 4 2 2 7 1 1 2 5 4 4 4 4 10 10 14 8 1 1 1 1 1 1 2 2 2 4 4 4 5 5 5 6 7 8 8 8 8 8 8 10 11 12 13 12 13 13 4 5 5 7 8 8 2 6 6 7 6 10 14 16 14 16 16 9 107.5412 109.7198 109.4826 109.923 109.91 110.2196 133.0088 122.2362 104.755 105.9848 144.414 109.6011 127.9401 120.2415 111.8137 105.7179 111.7285 101.1478 117.4702 117.4594 100.7871 100.761 114.5944 95.7192 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A25 A26 A27 A28 8 8 8 8 14 16 14 16 15 17 15 17 12 13 12 13 -1 -1 -2 -2 178.4464 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 178.4402 180.2001 179.8892 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 11 11 12 12 13 13 3 3 5 5 3 3 4 4 2 8 2 2 2 7 7 7 1 2 5 4 14 16 1 1 1 1 1 1 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 5 5 6 8 8 8 5 5 5 5 5 5 4 4 4 4 5 5 5 5 7 7 8 8 8 8 8 8 6 6 7 10 10 10 2 6 2 6 2 6 7 8 7 8 1 6 1 6 6 6 10 14 16 10 14 16 7 7 4 9 9 9 174.7069 -6.1429 -65.7591 113.391 55.3224 -125.5274 -179.9666 -0.0917 -0.0174 179.8574 -0.8026 179.9882 179.2414 0.0322 -0.0025 -179.9251 -179.947 71.5441 -71.4732 -0.0747 -108.5837 108.399 -179.3119 -0.0338 0.0218 0.1182 121.1934 -120.9362 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. -0.12842 0.00032 0.00436 0.00526 0.01030 0.01617 0.02702 0.04100 0.04805 0.05223 0.05393 0.05665 0.05964 0.05992 0.06025 0.06147 0.07431 0.07580 0.08508 0.09991 0.10244 0.13347 0.13525 0.14994 0.16928 0.18129 0.19852 0.22350 0.23968 0.25785 0.27512 0.29180 0.34742 0.34938 0.35750 0.36858 0.38081 0.40466 0.42723 0.44627 0.51664 0.58438 0.63823 1.28052 1.28140 R15 A18 A11 A24 A12 1 -0.68094 0.34173 -0.33119 -0.30352 0.29161 R12 A22 A21 A17 A16 Angle between quadratic step and forces= 84.18 degrees. 1 2 0.00021774 0.00000005 0.00000005 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 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 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 2.75030 2.05440 2.05892 2.05821 2.03451 2.58831 2.56098 2.57061 2.99051 2.50477 2.44825 2.68569 2.96225 2.96225 1.67377 2.17616 2.17617 1.87695 1.91497 1.91083 1.91852 1.91829 1.92369 2.32144 2.13342 1.82832 1.84978 2.52050 1.91290 2.23298 2.09861 1.95152 1.84513 1.95003 1.76536 2.05024 2.05005 1.75907 1.75861 2.00005 1.67061 3.11448 3.11437 3.14508 3.13966 3.04921 -0.10721 -1.14771 1.97905 0.96556 -2.19087 -3.14101 -0.00160 -0.00030 3.13910 -0.01401 3.14139 3.12835 0.00056 -0.00004 -3.14029 -3.14067 1.24868 -1.24744 -0.00130 -1.89514 1.89192 -3.12958 -0.00059 0.00038 0.00206 2.11522 -2.11073 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00002 -0.00002 -0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00002 -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 -0.00055 -0.00062 -0.00054 -0.00061 -0.00055 -0.00062 0.00001 -0.00002 -0.00000 -0.00003 -0.00007 -0.00000 -0.00006 0.00000 -0.00000 0.00001 0.00003 0.00003 0.00003 0.00000 0.00000 0.00000 0.00006 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00002 -0.00002 -0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00002 -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 -0.00055 -0.00062 -0.00054 -0.00061 -0.00055 -0.00062 0.00001 -0.00002 -0.00000 -0.00003 -0.00007 -0.00000 -0.00006 0.00000 -0.00000 0.00001 0.00003 0.00003 0.00003 0.00000 0.00000 0.00000 0.00006 -0.00000 0.00000 0.00000 0.00000 -0.00000 2.75030 2.05440 2.05892 2.05820 2.03451 2.58831 2.56098 2.57061 2.99051 2.50476 2.44825 2.68569 2.96227 2.96224 1.67377 2.17617 2.17617 1.87696 1.91498 1.91081 1.91852 1.91830 1.92369 2.32144 2.13342 1.82832 1.84978 2.52050 1.91290 2.23298 2.09861 1.95152 1.84513 1.95003 1.76536 2.05024 2.05006 1.75906 1.75861 2.00005 1.67061 3.11448 3.11437 3.14509 3.13966 3.04866 -0.10783 -1.14825 1.97844 0.96501 -2.19148 -3.14100 -0.00162 -0.00031 3.13908 -0.01408 3.14138 3.12829 0.00057 -0.00004 -3.14027 -3.14064 1.24871 -1.24741 -0.00130 -1.89514 1.89192 -3.12953 -0.00059 0.00038 0.00207 2.11522 -2.11073 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000004 0.000001 0.000977 0.000218 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.979629e-10 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 1 1 1 1 2 2 2 4 4 5 6 8 8 8 9 14 16 5 11 12 13 3 4 5 7 8 6 7 10 14 16 10 15 17 1.4554 1.0871 1.0895 1.0892 1.0766 1.3697 1.3552 1.3603 1.5825 1.3255 1.2956 1.4212 1.5676 1.5676 0.8857 1.1516 1.1516 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 5 5 5 11 11 12 3 3 4 2 2 7 1 1 2 5 4 4 4 4 10 10 14 8 1 1 1 1 1 1 2 2 2 4 4 4 5 5 5 6 7 8 8 8 8 8 8 10 11 12 13 12 13 13 4 5 5 7 8 8 2 6 6 7 6 10 14 16 14 16 16 9 107.5412 109.7198 109.4826 109.923 109.91 110.2196 133.0088 122.2362 104.755 105.9848 144.414 109.6011 127.9401 120.2415 111.8137 105.7179 111.7285 101.1478 117.4702 117.4594 100.7871 100.761 114.5944 95.7192 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A25 A26 A27 8 8 8 14 16 14 15 17 15 12 13 12 -1 -1 -2 178.4464 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 178.4402 180.2001 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 11 11 12 12 13 13 3 3 5 5 3 3 4 4 2 8 2 2 2 7 7 7 1 2 5 4 14 1 1 1 1 1 1 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 5 5 6 8 8 5 5 5 5 5 5 4 4 4 4 5 5 5 5 7 7 8 8 8 8 8 8 6 6 7 10 10 2 6 2 6 2 6 7 8 7 8 1 6 1 6 6 6 10 14 16 10 14 16 7 7 4 9 9 174.7069 -6.1429 -65.7591 113.391 55.3224 -125.5274 -179.9666 -0.0917 -0.0174 179.8574 -0.8026 179.9882 179.2414 0.0322 -0.0025 -179.9251 -179.947 71.5441 -71.4732 -0.0747 -108.5837 108.399 -179.3119 -0.0338 0.0218 0.1182 121.1934 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2.525900 0.000000 2.834299 1.076614 0.000000 3.586955 1.369672 2.246507 0.000000 1.455397 1.355214 2.133598 2.158264 0.000000 2.412091 2.220007 3.232802 2.198589 1.325465 0.000000 3.475259 2.180048 3.245404 1.360307 2.089432 1.295560 0.000000 5.166906 2.811723 3.393641 1.582511 3.740323 3.588888 2.408134 0.000000 4.964570 3.241026 4.181138 1.935588 3.540695 2.779372 1.511960 1.747917 0.000000 5.677597 3.691911 4.504990 2.322464 4.227968 3.608880 2.316385 1.421205 0.885723 0.000000 1.087143 3.356810 3.843213 4.179662 2.062474 2.455795 3.712805 5.746024 5.220315 6.020053 0.000000 1.089533 2.889613 2.984202 4.022797 2.091736 3.081998 4.048122 5.553645 5.484549 6.153270 1.782189 0.000000 1.089156 2.824954 2.857164 4.005082 2.088494 3.148532 4.089130 5.533155 5.519670 6.174014 1.781739 1.787068 0.000000 6.031169 3.682477 4.053315 2.692618 4.682302 4.619636 3.512965 1.567558 2.793550 2.304556 6.676558 6.163631 6.500502 0.000000 6.806234 4.547555 4.793212 3.712040 5.538719 5.525304 4.493273 2.718887 3.797824 3.301732 7.476589 6.784966 7.324008 1.151577 0.000000 6.035470 3.681922 4.053180 2.692463 4.680277 4.617336 3.511276 1.567558 2.791323 2.304123 6.639747 6.558655 6.156420 2.638151 3.668595 0.000000 6.812857 4.546799 4.793109 3.711827 5.535703 5.521854 4.490866 2.718888 3.794830 3.301080 7.419163 7.402478 6.785961 3.668686 4.598976 1.151578 0.000000 1.9124352 0.6381597 0.5550038 1 -492.618418757 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=11111111111111111 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=1721283085. There are 54 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 51 vectors produced by pass 0 Test12= 1.73D-14 1.85D-09 XBig12= 4.74D+01 2.71D+00. AX will form 51 AO Fock derivatives at one time. 51 vectors produced by pass 1 Test12= 1.73D-14 1.85D-09 XBig12= 1.02D+01 4.93D-01. 51 vectors produced by pass 2 Test12= 1.73D-14 1.85D-09 XBig12= 3.37D-01 1.18D-01. 51 vectors produced by pass 3 Test12= 1.73D-14 1.85D-09 XBig12= 5.26D-03 1.38D-02. 51 vectors produced by pass 4 Test12= 1.73D-14 1.85D-09 XBig12= 5.80D-05 9.23D-04. 51 vectors produced by pass 5 Test12= 1.73D-14 1.85D-09 XBig12= 4.43D-07 8.11D-05. 51 vectors produced by pass 6 Test12= 1.73D-14 1.85D-09 XBig12= 3.47D-09 7.17D-06. 25 vectors produced by pass 7 Test12= 1.73D-14 1.85D-09 XBig12= 2.35D-11 5.99D-07. 3 vectors produced by pass 8 Test12= 1.73D-14 1.85D-09 XBig12= 1.46D-13 4.47D-08. 3 vectors produced by pass 9 Test12= 1.73D-14 1.85D-09 XBig12= 1.02D-15 3.11D-09. InvSVY: IOpt=1 It= 1 EMax= 4.44D-15 Solved reduced A of dimension 388 with 54 vectors. Isotropic polarizability for W= 0.000000 112.17 Bohr**3. End of Minotr F.D. properties file 721 does not exist. alpha 34 35 36 37 38 39 40 41 42 43 O O O O O V V V V V -0.431329 -0.431311 -0.414381 -0.409560 -0.378338 -0.002980 0.021226 0.033231 0.054132 0.054390 1.628229 1.533468 1.679589 1.901320 1.451410 1.259943 1.765898 0.160247 0.351282 0.983499 4.907995010792D+02 PT17431.400S Mon Mar 8 14:27:01 2021 -10.36415 -10.35549 -10.33912 -10.31889 -10.31887 -6.93049 -1.25882 -1.06541 -1.02064 -1.01758 -0.95788 -0.88023 -0.79838 -0.73741 -0.73409 -0.65774 -0.62951 -0.61407 -0.60766 -0.55980 -0.54560 -0.53949 -0.52036 -0.47830 -0.47037 -0.46744 -0.44646 -0.44239 -0.43133 -0.43131 -0.41438 -0.40956 -0.37834 -0.00298 0.02123 0.03323 0.05413 0.05439 0.05803 0.06316 0.06859 0.07563 0.07857 0.08294 0.08718 0.10162 0.10207 0.11356 0.12167 0.12234 0.13186 0.13896 0.14213 0.14619 0.14781 0.15562 0.16346 0.17138 0.17867 0.18050 0.18583 0.18765 0.19027 0.19421 0.20133 0.20595 0.20780 0.21417 0.21489 0.22642 0.23354 0.24257 0.24848 0.25121 0.25225 0.27627 0.27742 0.28654 0.30048 0.30253 0.30579 0.30663 0.31909 0.32250 0.32487 0.33229 0.33347 0.33403 0.34408 0.35417 0.36143 0.36569 0.38053 0.38273 0.39161 0.39611 0.40082 0.41641 0.43594 0.45019 0.45163 0.46236 0.49937 0.50169 0.51921 0.54747 0.55640 0.56088 0.57982 0.59124 0.61678 0.65114 0.65455 0.65967 0.67468 0.69282 0.70865 0.71331 0.73508 0.73693 0.74142 0.76860 0.77918 0.78092 0.79823 0.80941 0.81226 0.83072 0.85866 0.87599 0.87848 0.89838 0.90031 0.91655 0.92185 0.93707 0.94095 0.95823 0.98461 0.99960 0.99985 1.02024 1.02544 1.03218 1.04776 1.05329 1.08320 1.08680 1.09913 1.10558 1.10882 1.12883 1.17356 1.21279 1.27051 1.30846 1.31659 1.32987 1.34020 1.34815 1.35742 1.37200 1.40795 1.42721 1.43132 1.44186 1.46545 1.49190 1.50763 1.52401 1.57520 1.57734 1.60066 1.60961 1.62259 1.63840 1.65210 1.67845 1.71832 1.72685 1.77614 1.79561 1.81782 1.82141 1.84521 1.85371 1.90227 1.92713 1.93083 1.95872 2.00592 2.01403 2.07039 2.11143 2.14162 2.15134 2.16328 2.17566 2.18235 2.19115 2.19838 2.23287 2.23558 2.34437 2.35858 2.40782 2.40981 2.46631 2.48003 2.48462 2.54111 2.56172 2.58610 2.60807 2.64243 2.67456 2.69647 2.69740 2.74622 2.75485 2.76962 2.80684 2.81018 2.81797 2.83761 2.88646 2.89795 2.92891 2.94792 2.96396 2.97875 2.99635 3.01076 3.02161 3.03525 3.09454 3.10026 3.11575 3.14805 3.17017 3.17033 3.23528 3.26084 3.44554 3.50129 3.54057 3.61683 3.66063 3.69918 3.75522 3.77309 3.87916 3.91218 4.00931 4.09291 4.10008 4.10329 4.11236 4.12754 4.13274 4.20181 4.33640 4.66582 4.69781 4.70907 4.91786 5.08229 5.72063 14.74123 23.88255 24.03700 24.21079 24.27780 24.29627 35.51458 35.63572 35.71430 35.97553 35.98462 34 35 36 37 38 39 40 41 42 43 O|O|O|O|O|V|V|V|V|V -0.43133 -0.43131 -0.41438 -0.40956 -0.37834 -0.00298 0.02123 0.03323 0.05413 0.05439 0.00156 0.00005 -0.00001 0.00031 0.00004 0.00182 0.00054 -0.02217 0.01031 0.00462 0.00259 0.00008 -0.00002 0.00058 0.00006 0.00307 0.00090 -0.03587 0.01649 0.00737 0.01031 0.00013 0.00159 -0.01830 -0.00010 0.01075 0.00158 0.02231 0.00031 -0.00248 -0.01392 0.00219 -0.03374 0.00099 0.00529 0.00426 -0.00525 -0.00264 -0.02042 0.00847 0.00780 0.00533 -0.06436 0.00380 0.01220 -0.00213 -0.01185 0.00226 -0.00251 0.02393 -0.00762 -0.00019 -0.00024 -0.00236 -0.00008 -0.00882 -0.00333 0.09706 -0.03689 -0.01605 0.01820 0.00032 0.00230 -0.02518 -0.00007 0.02000 0.00360 0.04087 -0.01122 -0.00964 -0.02024 0.00316 -0.04880 0.00016 0.00767 0.00796 -0.01622 -0.00273 -0.04051 0.01391 0.01136 0.00774 -0.09297 0.00621 0.01760 -0.00368 -0.03315 0.00342 -0.00379 0.04533 -0.03254 -0.00143 0.00291 -0.01798 -0.00185 -0.05474 -0.00322 0.60215 -0.36835 -0.16961 0.01740 0.00030 0.00152 -0.01760 0.00161 0.04592 0.00184 -0.11137 0.15808 0.05961 -0.01844 0.00249 -0.04424 0.00580 -0.00148 0.01683 0.00649 -0.05764 -0.00673 0.04831 0.01208 0.00687 -0.08381 0.00394 0.00981 -0.00982 -0.00515 0.01989 -0.01639 0.03256 -0.01257 -0.00339 0.00067 -0.04575 -0.00249 -0.09698 -0.10214 7.14289 -4.20066 -1.90597 -0.00471 -0.00032 -0.00099 0.01791 0.00178 0.02555 0.01026 -0.36611 0.16401 -0.00924 -0.01245 -0.00020 0.00807 -0.00736 -0.01393 0.06629 -0.00363 -0.22974 -0.53202 0.27456 0.00960 -0.00155 0.01282 0.00548 -0.00819 -0.04553 -0.12178 0.09487 -0.07573 0.74336 0.00079 0.00041 -0.00356 -0.00045 0.00280 -0.00023 -0.00048 -0.00344 0.00145 -0.00503 0.00066 0.00141 -0.01947 -0.00056 0.00685 0.00113 0.02584 -0.00058 0.00012 -0.00245 0.00200 0.00014 -0.00219 -0.00246 -0.00075 0.00204 0.00501 -0.00120 -0.00120 0.00376 0.00019 0.00010 -0.00033 -0.00225 0.00091 0.00279 -0.00269 0.00347 0.00240 -0.00151 -0.00205 0.00074 -0.01088 0.00363 0.00407 -0.00203 0.01374 0.00216 0.00258 -0.00090 -0.00979 -0.00029 -0.00011 -0.00131 0.00004 -0.00745 0.00010 -0.01149 -0.00817 -0.00393 -0.01610 -0.00048 -0.00017 -0.00211 0.00007 -0.01211 0.00015 -0.01920 -0.01336 -0.00643 -0.02921 -0.00090 -0.00112 0.02757 -0.00421 -0.01259 -0.00305 0.01242 0.00829 0.00568 0.00699 -0.00019 0.04621 0.01427 0.06754 -0.00673 0.05294 -0.01232 -0.00774 -0.04112 -0.00455 -0.00076 0.08478 -0.01245 0.12915 0.00359 0.10242 0.00817 0.03994 -0.05608 0.04853 0.00146 0.00037 0.00554 -0.00032 0.04039 -0.00026 0.07133 0.03969 0.01928 -0.04227 -0.00127 -0.00199 0.04285 -0.00671 -0.01281 -0.00476 0.00661 0.00526 0.00555 0.01417 -0.00064 0.07511 0.02243 0.11053 -0.00620 0.08141 -0.01536 -0.01064 -0.06332 -0.00865 -0.00212 0.13815 -0.01993 0.21099 0.00359 0.15697 0.01060 0.05958 -0.08624 0.08846 0.00266 0.00131 0.04405 0.00427 0.12233 -0.00435 0.00889 0.08109 0.03747 -0.03221 -0.00110 0.00055 0.02779 -0.00696 -0.02249 -0.01266 0.16140 0.14322 0.06370 0.01197 0.00042 0.05855 0.02804 0.10066 0.00900 0.14932 -0.12285 -0.01596 -0.14273 -0.00735 0.00010 0.10706 -0.02112 0.18856 -0.00481 0.29606 0.07294 0.14770 -0.21101 -0.13022 -0.02135 0.03069 0.59076 0.00549 -1.91051 -0.50484 -0.18923 -6.90579 -2.09399 -0.00732 0.00482 -0.00523 -0.10772 -0.00587 0.74586 0.18337 1.47148 3.36206 1.17591 -0.03977 0.00311 0.02541 0.08680 0.01641 -0.08796 0.10851 -1.84254 -2.89615 -1.39092 0.01956 0.01237 0.03569 -0.05208 0.03312 0.07492 0.27563 0.97228 1.77295 0.41986 -0.00055 0.00095 -0.01451 -0.00121 -0.00343 0.00381 0.01588 -0.00055 -0.00213 0.00095 0.00369 -0.00066 0.01209 0.00325 -0.01693 -0.00153 -0.00828 -0.00132 0.00838 -0.02288 0.00052 -0.00078 0.01207 0.00022 0.00169 0.00153 -0.01268 -0.00108 0.00176 -0.00258 0.00202 0.00066 -0.00884 0.00551 -0.00083 -0.00446 0.00954 -0.00004 0.00162 0.00342 -0.00676 -0.00055 0.00525 -0.00699 -0.00895 0.00202 -0.00342 0.00261 0.00899 -0.01015 -0.00664 -0.00020 0.00017 0.00584 -0.00002 -0.00012 -0.00015 0.00523 0.00033 0.00040 -0.01395 -0.00039 -0.00020 0.00599 0.00008 -0.00126 0.00012 0.02084 0.01164 0.00613 0.00120 -0.00008 0.00094 0.02085 0.00079 -0.03987 -0.00787 -0.49218 -0.48570 -0.19874 -0.00844 -0.00174 -0.00016 0.04139 -0.00049 -0.33683 -0.03820 -2.87540 -4.80930 -2.09548 -0.00019 -0.00001 -0.00003 0.00236 -0.00035 -0.00161 -0.00069 -0.00663 -0.00537 -0.00185 -0.00193 -0.00014 0.00370 -0.00013 0.00572 0.00199 0.00835 0.00605 0.00939 -0.00308 0.00101 -0.00012 0.00706 -0.00034 0.01092 -0.00104 0.01571 -0.00303 0.00147 -0.01307 0.01725 0.00052 -0.00029 -0.00705 -0.00005 -0.00886 0.00005 0.00053 -0.00143 -0.00056 0.02783 0.00083 -0.00047 -0.01142 -0.00008 -0.01459 0.00007 0.00067 -0.00223 -0.00087 0.07018 0.00192 0.00124 0.00414 -0.00435 -0.02196 0.00002 -0.00355 0.00251 -0.00271 0.04263 0.00458 -0.01660 0.08560 0.07272 -0.01387 -0.00208 0.00100 -0.03287 0.05667 -0.02054 0.00580 -0.04155 -0.04260 0.13829 0.00667 -0.00455 -0.00094 -0.04838 0.11335 -0.07640 -0.00227 0.00160 0.04017 0.00028 0.04061 0.00009 0.00500 0.00747 0.00282 0.09458 0.00263 0.00185 0.00420 -0.00714 -0.03064 0.00066 0.00053 -0.00462 -0.00873 0.06009 0.00574 -0.02725 0.13571 0.11889 -0.01987 -0.00649 -0.00001 -0.05560 0.08662 -0.02913 0.00682 -0.06766 -0.06749 0.22617 0.00958 -0.01332 -0.00024 -0.07419 0.17908 -0.07158 -0.00235 0.00379 0.03479 -0.00165 0.14697 -0.00478 0.10155 0.12506 0.05516 0.03943 0.00067 0.00285 -0.00012 -0.00783 -0.08615 -0.00388 0.02838 0.17036 0.06166 0.04025 0.00853 -0.02048 0.09079 0.10223 -0.00825 0.01358 -0.00118 -0.07462 0.20253 -0.02048 0.01348 -0.04958 -0.04524 0.19582 0.00212 0.02258 -0.00022 -0.17161 0.36524 -0.02438 0.01411 -0.01344 -0.28941 -0.01142 2.76294 0.51094 3.13231 8.10879 2.76968 0.18099 0.01446 -0.01486 -0.34017 0.00487 0.35181 0.14096 -0.30440 5.05406 1.84330 0.05361 -0.01503 -0.02756 -0.05904 -0.00800 -0.13727 -0.00793 0.99276 1.69831 1.25637 -0.02069 -0.03346 -0.04430 0.02387 -0.02040 0.07933 0.03767 -0.47509 -1.14758 0.34243 0.00035 -0.00152 0.01676 -0.00148 -0.00444 -0.00134 0.02026 -0.00291 -0.00674 0.00745 0.00287 0.00230 0.01159 -0.00449 0.01607 0.00614 0.02192 0.00180 0.00587 -0.00734 -0.00079 0.00134 -0.01293 -0.00491 0.00451 0.01229 -0.01466 -0.00294 -0.00061 -0.00979 -0.00097 -0.00105 0.00864 -0.00745 -0.00360 0.02046 0.00990 0.00182 -0.00367 0.00564 -0.00570 0.00090 0.00734 0.00677 0.00817 -0.01050 0.01230 -0.00239 -0.00186 -0.00548 0.00338 0.00007 0.00125 0.01900 -0.00006 -0.00734 -0.00037 0.00254 -0.00149 -0.00077 0.00551 0.00011 0.00204 0.03117 -0.00010 -0.01226 -0.00060 0.00415 -0.00265 -0.00136 -0.00275 0.00032 -0.00336 0.05822 0.00188 -0.01456 0.00623 -0.00510 0.01478 0.00672 0.00841 -0.00545 0.07930 -0.04428 -0.02420 0.01856 -0.07786 -0.00666 0.00374 0.00267 -0.00377 -0.01115 0.15706 0.01524 -0.04653 -0.01068 -0.14891 0.00103 -0.00172 0.00104 -0.01699 -0.00034 -0.00635 -0.10120 0.00028 0.04241 0.00155 -0.01004 0.01294 0.00646 -0.00391 0.00049 -0.00498 0.09276 0.00292 -0.02648 0.00946 -0.00681 0.02023 0.00923 0.01068 -0.00849 0.12366 -0.07060 -0.03834 0.02885 -0.11892 -0.00704 0.00987 0.00578 -0.00457 -0.01715 0.24501 0.02465 -0.07332 -0.01674 -0.22770 0.00016 -0.00477 -0.00044 -0.02514 -0.00040 -0.01132 -0.15739 0.00038 0.07814 0.00554 -0.03326 0.01796 0.00772 0.00963 0.00091 -0.00592 0.09668 0.00298 0.00336 0.01508 -0.08951 0.07728 0.03628 0.02827 -0.00786 0.12184 -0.05460 -0.03618 0.07031 -0.17369 -0.06250 -0.00299 0.00517 -0.01357 -0.01753 0.24040 0.01634 -0.07449 -0.03721 -0.32816 0.02340 -0.00169 0.02076 0.02333 0.00338 -0.02011 -0.12892 0.00186 0.35530 0.06314 -0.07952 2.62455 0.99752 0.04654 0.00033 0.00146 0.04623 -0.00076 -0.15800 -0.00868 -1.72695 0.34228 0.23987 0.04180 0.00056 0.00506 0.01111 -0.01133 0.02803 -0.20688 0.08339 1.01407 0.34238 -0.02101 -0.00220 0.01165 -0.00531 -0.03189 -0.01889 -0.33767 -0.09192 -0.47230 -0.31609 0.00134 0.00032 0.00691 -0.00013 0.01814 0.00248 -0.00199 -0.00346 0.00638 -0.01353 -0.00091 0.00077 -0.00651 -0.00108 0.00624 -0.00084 -0.01592 0.00088 0.00331 -0.00243 -0.00207 -0.00022 -0.00627 -0.00342 -0.01399 0.00064 0.00098 -0.00411 -0.00534 0.01034 -0.00540 -0.00005 0.00420 -0.00592 0.01009 -0.00368 -0.00041 0.00049 0.00298 -0.00814 0.00124 0.00046 -0.00295 0.00287 0.00393 0.00083 -0.00840 -0.00127 -0.00283 -0.00332 -0.00305 -0.00007 -0.00182 -0.03580 -0.00008 0.00934 0.00002 -0.00868 -0.00037 -0.00023 -0.00487 -0.00011 -0.00295 -0.05813 -0.00013 0.01530 0.00003 -0.01443 -0.00074 -0.00043 0.04400 0.00148 0.00058 -0.01612 0.00455 0.00690 -0.00563 0.00411 0.00029 -0.00337 0.05555 -0.00088 -0.01401 0.09853 -0.07398 0.00151 0.08479 0.00395 -0.02710 0.03014 -0.02760 -0.00557 -0.03777 -0.05013 -0.14126 0.00026 0.16045 -0.00002 -0.02430 0.06763 0.00834 0.00015 0.00846 0.16701 0.00054 -0.04636 -0.00023 0.04944 0.00612 0.00297 0.06669 0.00225 0.00069 -0.02719 0.00704 0.01254 -0.00816 0.00618 0.00628 -0.00272 0.08479 -0.00121 -0.02236 0.14284 -0.11509 0.00660 0.12796 0.00272 -0.04359 0.04285 -0.04219 -0.00829 -0.05847 -0.07252 -0.21978 -0.00181 0.24162 0.00148 -0.03335 0.10113 0.04022 0.00087 0.01348 0.27448 -0.00143 -0.10681 0.00183 0.07734 0.01690 0.01252 0.04003 0.00126 0.00417 0.01734 0.00616 -0.02424 -0.01440 0.02226 -0.03524 -0.01887 0.06139 -0.00245 -0.02187 0.10914 -0.11016 0.00378 0.18205 0.02735 -0.06283 0.07148 -0.03046 -0.00896 -0.05478 -0.05372 -0.21114 -0.00109 0.34958 -0.00858 -0.06270 0.15967 0.13234 0.01132 -0.00673 -0.33491 0.01919 0.11279 -0.08509 -2.05514 1.98583 1.28646 -0.07129 -0.00445 0.00692 0.13070 -0.00621 -0.03373 0.03643 0.06255 -1.27880 -0.63901 -0.00106 0.00126 -0.00096 0.05211 -0.00437 -0.03164 0.18083 0.28311 -0.39533 -0.22813 -0.00199 0.00445 -0.00219 -0.02338 -0.00239 0.01751 0.30008 -0.15724 0.16018 0.18607 0.00139 -0.00065 -0.00004 0.00562 -0.01240 -0.00305 -0.00030 -0.00029 -0.00089 0.00128 0.00334 -0.00110 0.02256 -0.00776 -0.00293 0.00386 -0.00364 0.00037 -0.00685 0.01228 0.00511 0.00064 0.00180 0.00513 0.00974 0.00262 0.00022 -0.00026 -0.00041 -0.00071 0.00518 -0.00016 -0.00186 -0.00342 -0.00700 0.00941 0.00008 0.00007 -0.00048 0.00007 -0.00614 -0.00085 0.01251 0.01106 -0.00209 -0.00645 -0.00185 -0.00083 -0.00120 0.00754 -0.01583 -0.00051 0.00172 0.03321 0.00003 -0.01276 0.00008 0.00014 -0.00136 -0.00069 -0.02575 -0.00082 0.00280 0.05407 0.00005 -0.02103 0.00013 0.00029 -0.00214 -0.00109 -0.07195 -0.00247 0.01021 0.11008 -0.00014 -0.05164 0.00380 -0.00434 0.00597 0.00674 -0.01189 0.00334 -0.08504 -0.09271 0.00366 0.04714 -0.05341 -0.00773 0.01959 -0.05386 0.00329 0.00699 -0.15027 0.06181 0.00735 -0.02722 -0.10051 0.00310 0.04840 -0.09793 0.07301 0.00233 -0.00819 -0.15723 -0.00022 0.06302 -0.00025 -0.00271 0.00556 0.00276 -0.10760 -0.00369 0.01533 0.16081 -0.00018 -0.07564 0.00574 -0.00558 0.01003 0.01043 -0.01752 0.00515 -0.13193 -0.13986 0.00538 0.07033 -0.08058 -0.01127 0.02929 -0.07871 0.00477 0.01071 -0.23355 0.09349 0.01086 -0.04054 -0.15167 0.00424 0.07085 -0.14440 0.10784 0.00349 -0.01215 -0.25743 0.00063 0.10928 -0.00452 0.04644 0.01668 0.01332 -0.09478 -0.00340 0.01609 0.17356 0.00003 -0.10090 0.00648 -0.00861 -0.01557 0.00349 -0.00657 0.00586 -0.12307 -0.09491 0.00716 0.08876 -0.11980 -0.01999 0.03680 -0.14329 -0.00068 0.01139 -0.22338 0.06976 0.01430 -0.05170 -0.22463 0.00945 0.12922 -0.24383 0.00201 -0.00700 0.00635 0.22982 -0.01791 -0.30910 0.07449 -0.29079 -2.88403 -1.57832 -0.07663 -0.00691 0.01145 0.26009 -0.01069 -0.34149 0.03710 0.25928 -1.46194 -0.73933 -0.09552 -0.00258 0.00508 0.15084 -0.01001 0.07481 -0.08544 0.43220 -0.87471 -0.51179 0.04752 0.00696 -0.00843 -0.07031 -0.00491 -0.05126 -0.23067 -0.22814 0.48982 0.03354 0.00417 0.00098 -0.00457 -0.00259 0.01550 0.00635 -0.01231 -0.00264 -0.00433 0.00414 0.00286 -0.00007 -0.01137 0.00360 -0.00941 -0.00225 0.01299 -0.00089 -0.00108 0.00074 0.00014 -0.00068 0.00240 -0.00863 -0.01292 -0.00161 0.01064 -0.00181 0.00172 -0.00436 -0.00670 0.00030 -0.00207 -0.00636 0.00952 -0.01362 -0.00802 0.00148 0.00172 0.00432 -0.00633 -0.00023 -0.00650 -0.00534 -0.00423 0.00289 0.00625 0.00240 0.00131 0.00173 0.00651 0.00020 0.00001 0.00080 0.00003 -0.02116 0.00021 -0.00319 -0.00787 -0.00418 0.01016 0.00031 0.00001 0.00105 0.00004 -0.03453 0.00035 -0.00546 -0.01353 -0.00722 -0.05082 -0.00054 -0.00185 -0.03843 0.00029 -0.09606 0.00039 0.00250 -0.00201 -0.00203 -0.05052 -0.01728 0.00542 0.02632 -0.00743 0.10437 -0.00428 -0.00904 -0.02541 0.00692 0.02598 -0.02929 0.00701 -0.01543 -0.01417 -0.05773 -0.00717 0.00470 -0.00430 0.03459 -0.02459 -0.00074 -0.00026 -0.00699 -0.00021 0.09638 -0.00140 0.02487 0.06818 0.03659 -0.07694 -0.00077 -0.00284 -0.05780 0.00035 -0.17286 0.00138 0.00469 0.00401 -0.00084 -0.07972 -0.02718 0.00861 0.04285 -0.01220 0.17340 -0.01266 -0.00658 -0.01348 0.02368 0.04111 -0.04605 0.01107 -0.02496 -0.02318 -0.09642 -0.02170 0.00307 -0.01884 0.04597 -0.08192 -0.00240 0.00430 0.05804 -0.00026 0.30366 -0.00199 -0.12548 -0.33162 -0.19485 -0.07456 -0.00066 -0.00115 -0.05621 -0.00080 -0.40563 0.00905 0.04072 0.23281 0.13177 -0.09958 -0.02740 -0.01489 0.06109 0.00649 0.27103 -0.12799 0.04823 0.12607 -0.11240 0.05103 -0.04452 -0.03764 -0.03125 0.01458 -0.15597 -0.24775 -0.02960 0.10089 -0.28558 -0.10233 -0.00202 0.00248 0.01086 -0.00045 -0.06663 0.08181 -1.15982 -2.71699 -1.64727 -0.07198 -0.00040 0.00312 -0.00679 -0.00135 0.49528 0.04007 0.46276 0.88421 0.57689 -0.04135 -0.02530 -0.02437 0.03575 -0.00118 0.09554 0.01404 -0.16640 0.79623 -0.73875 0.02085 -0.04448 -0.04883 -0.01543 -0.00199 -0.03695 -0.00179 0.13461 0.53160 -1.70210 0.02938 -0.01623 0.00638 -0.00197 -0.01424 0.00114 0.01221 -0.00258 -0.00211 -0.02677 0.00424 0.01334 -0.00549 0.00656 0.02016 -0.00775 0.00396 -0.00056 -0.02236 0.04558 0.02675 0.01533 -0.00625 -0.01256 0.01269 0.02268 -0.00977 -0.00682 -0.02451 0.01220 -0.01084 -0.01103 0.00335 -0.01411 -0.00957 0.02825 0.00688 -0.00486 0.00607 -0.01622 -0.01381 0.00571 -0.00332 -0.01217 0.00983 0.01574 0.00256 0.00157 -0.00632 0.02452 -0.00799 -0.00026 0.00079 0.01188 -0.00004 -0.11025 0.00045 0.01222 0.01585 0.00856 -0.00980 -0.00029 0.00124 0.01288 0.00009 -0.24651 -0.00040 0.03704 0.05103 0.02968 0.00001 -0.00110 0.00324 0.06551 -0.00298 -0.57977 0.00889 0.14119 -0.17208 -0.09508 0.10150 0.00322 -0.00363 -0.06876 -0.00010 -0.88424 -0.01827 -1.24569 -0.65660 -0.41438 0.00736 0.00021 -0.00054 -0.01632 -0.00013 0.01449 0.00028 0.00220 0.00037 0.00050 0.00727 0.00057 -0.00407 -0.01401 0.00158 -0.00499 -0.00733 -0.00201 -0.00360 -0.00428 -0.00363 0.00055 -0.00604 0.00724 0.00302 0.00300 -0.01407 0.00098 0.00394 -0.00226 -0.02733 -0.00087 0.00349 0.07037 0.00007 -0.03175 0.00023 0.00041 0.00704 0.00378 -0.04427 -0.00142 0.00603 0.12631 0.00022 -0.08677 0.00038 0.00552 0.01898 0.01192 -0.01361 0.00009 0.00133 0.03681 0.00112 -0.17267 0.00359 -0.12285 0.22794 0.09734 -0.07488 -0.00209 0.00366 0.04425 -0.00099 0.71537 0.02431 1.44817 1.23600 0.78203 -0.00257 -0.00007 0.00014 0.00309 0.00002 0.00058 0.00014 0.00100 0.00193 0.00128 0.00024 -0.00016 -0.00010 -0.00280 -0.00031 -0.02702 -0.00178 0.00123 0.00042 -0.00099 -0.00019 -0.00033 0.00009 0.00157 -0.00057 0.01419 -0.00370 -0.00064 0.00084 -0.00182 -0.01490 -0.00105 0.00768 0.00423 -0.00201 -0.00516 -0.00353 -0.00225 -0.00536 -0.00396 -0.01937 -0.00143 0.01231 0.01143 -0.00179 -0.01001 -0.01004 0.01034 0.00560 -0.00641 -0.00424 0.00014 0.00499 -0.00124 0.00339 -0.02588 -0.01970 -0.34287 0.12988 0.03752 0.01393 -0.00044 0.00190 0.01794 0.00738 -0.09074 -0.08898 -1.43685 2.23624 1.02260 -0.00043 -0.00004 0.00005 -0.00308 -0.00030 0.00128 0.00018 0.00219 0.00146 0.00088 0.00119 0.00023 -0.00293 0.00054 0.00032 -0.00061 0.00022 -0.00559 0.00336 0.00418 -0.00088 0.00023 -0.00374 -0.00007 0.00027 0.00042 0.00090 0.00411 -0.00449 0.00220 0.00688 0.00538 -0.06702 -0.00409 0.01590 0.00300 0.02818 0.00050 -0.00047 0.00271 0.01196 0.00869 -0.10818 -0.00743 0.02941 0.00982 0.07005 0.00179 0.00545 -0.01272 -0.00255 0.00378 -0.04828 -0.00515 0.03002 0.03090 0.12062 -0.29598 0.16766 0.02553 0.00245 0.00300 -0.03500 -0.00920 0.01037 0.04585 0.53474 -1.75598 1.55006 -1.00626 0.00021 -0.00025 0.00296 -0.00050 -0.00116 0.00068 0.00391 -0.00101 0.00073 -0.00046 -0.00106 0.00001 -0.00076 0.00013 -0.00006 0.00045 0.00042 -0.00112 -0.00009 0.00238 -0.00046 -0.00034 0.00446 0.00098 -0.00029 -0.00062 0.00236 -0.00980 0.00378 -0.00409 0.00976 -0.00426 0.05896 -0.01252 -0.01388 0.00366 -0.02504 0.00050 0.00142 -0.00074 0.01693 -0.00702 0.09385 -0.02078 -0.02704 0.01129 -0.06402 -0.00206 -0.01143 0.01860 0.00173 -0.00201 0.04284 -0.00935 -0.03027 0.02756 -0.07412 -0.29641 0.12441 0.12862 0.00605 -0.00045 0.03249 -0.01348 -0.01412 0.03996 -0.40819 -1.83382 0.18744 1.83594 -0.00012 0.00027 -0.00308 0.00012 0.00134 0.00073 -0.00350 -0.00240 -0.00003 0.00068 0.00016 -0.00028 0.00401 -0.00153 -0.00005 0.00093 0.00148 0.00827 0.00177 -0.00531 0.00115 0.00005 -0.00027 -0.00064 0.00025 -0.00014 0.00046 0.00495 -0.00096 -0.00121 -0.00705 0.00641 -0.00279 0.00227 0.00893 -0.00028 -0.00327 -0.00072 -0.00514 0.01103 -0.01174 0.01068 -0.00453 0.00368 0.01451 -0.00053 -0.00510 -0.00130 -0.00852 0.01826 0.07164 0.03203 0.01122 0.04512 -0.02357 -0.04122 0.00454 0.00341 -0.01308 0.02875 0.07605 0.11152 0.00924 -0.03156 -0.00750 0.03984 -0.00793 -0.00736 -0.02613 0.00603 -0.03619 0.06500 -0.01284 0.02463 0.02813 -0.00935 -0.00800 0.00013 -0.01507 0.03495 0.03115 -0.02931 0.01050 -0.00897 -0.03881 0.00738 0.00363 0.00733 0.02825 -0.05603 0.10317 0.05380 0.01500 0.07024 -0.03398 -0.07062 0.00206 0.00476 -0.02548 0.04699 0.11337 0.17253 0.01495 -0.04732 -0.01203 0.06860 -0.01336 -0.01047 -0.04930 0.01081 -0.03826 0.08428 -0.01341 0.03326 0.03054 -0.01925 -0.00332 -0.00198 -0.02323 0.04209 0.03914 -0.02799 0.04602 -0.02669 -0.06483 -0.05202 0.18226 -0.05264 -0.04636 -0.14548 0.08633 0.04516 0.01839 0.05736 -0.02859 -0.07568 0.04999 0.03367 0.00314 0.18081 0.10332 0.13507 0.01329 -0.04450 -0.01065 0.08331 0.00333 -0.03051 -0.04638 0.03451 -0.02181 0.05583 -0.01625 0.03370 0.03698 0.00678 -0.07116 -0.07755 -0.20126 -0.20115 0.09532 0.04388 0.05787 -0.07612 -0.00281 -0.17358 0.15527 0.12781 1.51857 2.93981 0.05074 0.04004 0.00898 0.00270 0.00631 -0.27711 0.02633 0.01053 0.29980 0.16223 0.04707 0.08060 0.02824 -0.03640 0.02274 -0.03755 -0.13360 -0.07682 -0.02550 0.23360 -0.01179 0.02195 0.02086 0.02990 0.01045 0.03555 -0.03399 -0.12964 -0.73671 -0.50576 0.00709 0.00586 0.00087 0.00608 -0.00087 0.01276 0.00075 0.00196 0.00610 0.00517 0.01267 0.00781 0.00126 0.01223 -0.00287 0.02277 -0.00170 -0.00157 0.00276 -0.01398 0.01816 0.02182 0.00083 -0.00914 -0.00047 -0.02324 0.00263 0.00313 0.00710 -0.00110 -0.00370 -0.00272 -0.00012 -0.00420 0.00134 -0.00530 0.00283 -0.00014 -0.00171 0.00373 -0.00569 -0.00550 -0.00057 0.00136 0.00124 0.00885 -0.00052 -0.00112 -0.00371 0.00506 -0.00652 0.00652 -0.00113 0.00078 0.00050 -0.00157 0.00157 -0.00266 -0.00443 -0.00921 -0.01041 0.01046 -0.00178 0.00122 0.00070 -0.00259 0.00271 -0.00432 -0.00713 -0.01487 0.05633 0.06952 0.00593 0.06890 -0.01698 0.07472 -0.01048 0.00074 0.02176 -0.03718 0.09099 0.13697 0.01083 -0.04209 -0.00960 -0.07046 0.01363 0.01159 0.02481 -0.00329 0.07150 -0.02879 0.01493 0.00802 -0.02677 0.01707 0.00078 0.00085 0.01130 -0.01948 0.02813 -0.02889 0.00480 -0.00296 -0.00054 0.00834 -0.00960 0.01208 0.01897 0.03953 0.08534 0.10342 0.00934 0.10347 -0.02651 0.11195 -0.01608 0.00059 0.02957 -0.05590 0.13638 0.20628 0.01647 -0.06305 -0.01522 -0.10420 0.02214 0.01769 0.03668 -0.00473 0.10367 -0.03935 0.02201 0.01230 -0.03947 0.02515 0.00437 0.00165 0.01881 -0.02712 0.06756 -0.06492 0.01079 -0.01139 -0.02128 0.01061 -0.00675 0.07383 0.14501 0.25304 0.06725 0.07692 0.00586 0.07975 -0.02237 0.13164 -0.02496 0.00873 0.07320 -0.06553 0.10251 0.15741 0.01258 -0.04925 -0.01024 -0.13199 0.01651 0.02322 0.05539 -0.00879 0.06941 -0.02020 0.01708 0.01252 -0.02580 0.02835 0.00363 -0.02421 -0.03314 -0.10626 0.01519 -0.03891 -0.01430 -0.01052 -0.02035 0.02639 -0.01132 0.17936 0.41375 -0.03574 -0.00679 -0.01012 -0.00138 0.00005 -0.00462 0.13097 -0.02171 -0.00408 -0.01413 -0.07754 -0.00783 -0.01830 -0.00614 0.00442 -0.00992 -0.06082 0.06459 0.04224 0.04843 -0.03950 0.00152 -0.00442 -0.00299 -0.00001 -0.00234 0.02127 -0.00890 -0.01038 0.02066 0.08937 -0.01106 0.00094 -0.00242 -0.00270 0.00425 0.00139 -0.00155 0.00062 0.00135 0.00156 -0.00553 -0.00996 -0.00030 -0.00861 0.00152 0.00106 0.00134 -0.00093 -0.00020 -0.00322 -0.01195 -0.01949 -0.00161 0.00547 0.00137 -0.00129 0.00031 0.00019 0.00200 -0.00059 0.00191 0.00210 0.00020 0.00264 -0.00063 -0.00018 0.00012 0.00001 -0.00035 0.00077 0.00356 0.00572 0.00047 -0.00130 -0.00040 0.00069 -0.00004 -0.00008 -0.00047 0.00071 -0.00662 -0.00682 0.00303 0.00200 -0.00895 -0.00030 0.00330 -0.00062 0.00508 -0.01110 -0.01104 -0.01137 0.00491 0.00324 -0.01454 -0.00058 0.00516 -0.00115 0.00840 -0.01841 0.07374 -0.03403 -0.00598 0.04608 0.02248 -0.04055 -0.00369 0.00315 0.01329 -0.03046 0.07542 -0.00659 -0.02024 -0.03548 0.02801 0.02935 -0.00247 -0.00433 -0.02009 0.01299 -0.04573 0.12437 0.00142 0.01423 0.01109 -0.02942 -0.01092 0.00585 0.00102 0.03815 0.02924 0.03112 -0.01142 -0.00797 0.03891 0.00760 -0.00425 0.00733 -0.02506 0.05881 0.10742 -0.05647 -0.00720 0.07133 0.03294 -0.06957 -0.00110 0.00410 0.01838 -0.05275 0.10036 -0.02468 -0.02581 -0.05051 0.03283 0.05317 0.00409 -0.00409 -0.02720 0.00985 -0.07711 0.18252 0.00665 0.02317 0.00928 -0.04885 -0.01243 0.00968 0.01035 0.06066 0.03687 0.03040 -0.04848 -0.02185 0.06498 -0.05270 -0.17683 -0.05669 -0.13064 0.04367 0.09064 -0.04637 -0.01193 0.05905 0.02706 -0.07336 -0.04640 0.02837 0.12140 -0.11086 0.08078 -0.02765 -0.02745 -0.04937 0.03681 0.03948 -0.06194 0.04235 0.22935 -0.00393 -0.07632 0.13590 0.00326 0.02016 0.01329 -0.07610 -0.03904 0.06838 0.16320 0.07056 0.09502 -0.03710 -0.06730 -0.06729 0.00672 -0.17690 -0.20041 0.18677 3.07308 -0.72935 0.05320 -0.03983 -0.01152 0.00506 -0.00566 -0.27592 -0.04771 0.01857 0.28580 0.04936 0.03913 -0.02578 -0.00330 -0.04415 -0.00362 -0.05862 0.03940 0.08402 0.78311 0.09690 -0.03439 0.07457 0.03559 0.00890 0.02420 -0.00018 -0.12938 0.07839 0.38347 0.28630 0.01764 -0.01813 -0.00135 -0.00569 0.00110 -0.01767 -0.00044 0.00267 0.00210 0.00732 -0.00427 0.00142 -0.00048 -0.00810 -0.00081 -0.01982 -0.00128 0.00146 0.00316 -0.00161 0.01017 -0.00998 -0.00099 -0.00085 0.00007 -0.00151 -0.00290 0.00255 0.00903 0.00102 0.00315 -0.00536 -0.00088 -0.00965 -0.00100 -0.02005 -0.00242 0.00008 -0.00251 0.00051 -0.01458 0.00898 0.00046 -0.00984 -0.00319 -0.01473 -0.00097 0.00050 0.00744 -0.01254 -0.00610 -0.00691 0.00123 0.00069 -0.00050 -0.00156 -0.00148 -0.00270 -0.00957 0.00215 -0.00973 -0.01108 0.00194 0.00108 -0.00070 -0.00258 -0.00257 -0.00440 -0.01544 0.00350 0.06641 -0.06790 0.00005 0.06824 0.01884 0.07359 0.00951 0.00126 -0.01315 0.04078 0.00114 -0.10380 0.00282 -0.02916 -0.01613 -0.05225 -0.00647 0.00580 0.01279 -0.00301 -0.11769 0.08547 0.02091 0.03196 -0.02229 0.05187 0.01176 -0.00966 -0.00680 -0.02858 0.02628 0.03057 -0.00517 -0.00259 0.00057 0.00832 0.00916 0.01246 0.04125 -0.00951 0.10022 -0.10118 -0.00034 0.10253 0.02928 0.11027 0.01441 0.00142 -0.02174 0.05904 0.00443 -0.15283 0.00373 -0.04389 -0.02313 -0.07713 -0.00813 0.00849 0.01645 -0.00474 -0.17455 0.13122 0.03130 0.04772 -0.03368 0.07683 0.02087 -0.01458 -0.01203 -0.04259 0.06327 0.06885 -0.01238 -0.01057 0.02090 0.01060 0.00508 0.07213 0.27354 -0.03456 0.07794 -0.07560 0.00102 0.07905 0.02427 0.12945 0.02312 0.00816 -0.00562 0.09962 0.01002 -0.10808 0.00278 -0.03674 -0.01496 -0.09513 -0.00547 0.03329 0.09589 0.00184 -0.12665 0.10623 0.02387 0.03552 -0.02205 0.09881 0.01552 -0.00623 0.03440 -0.05816 0.01355 0.04009 0.01341 -0.01261 0.02012 0.02658 0.01251 0.15950 0.26155 0.36416 -0.00726 0.01033 0.00182 -0.00027 0.00475 0.12993 0.02297 -0.00669 -0.06100 0.05081 -0.00611 0.00666 0.00123 0.00201 0.00385 -0.04849 -0.04275 0.02041 -0.05710 0.07903 0.00645 -0.01658 -0.00697 -0.00272 -0.00919 0.04349 0.04890 -0.01302 -0.04898 -0.02807 -0.01159 0.01625 0.00181 0.00333 -0.00137 -0.00106 -0.00011 0.00017 0.00059 0.00195 0.00172 -0.00209 0.00062 0.00592 0.00089 -0.00117 0.00064 0.00057 0.00108 -0.00055 -0.01210 0.00370 0.00258 0.00124 -0.00355 0.00054 0.00113 0.00065 0.00211 0.00039 0.00115 0.00905 -0.00019 0.00529 0.00216 -0.00145 -0.00117 -0.00038 -0.00061 0.00036 0.00794 -0.01078 0.00000 0.00658 0.00180 -0.00058 0.00098 0.00069 0.00201 -0.00200 1 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 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 H 1S 2S 3S 4S 5PX 5PY 5PZ 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 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 6 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 7 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 8 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 9 H 1S 2S 3S 4S 5PX 5PY 5PZ 10 H 1S 2S 3S 4S 5PX 5PY 5PZ 11 H 1S 2S 3S 4S 5PX 5PY 5PZ 12 H 1S 2S 3S 4S 5PX 5PY 5PZ 13 H 1S 2S 3S 4S 5PX 5PY 5PZ 14 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 15 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 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 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 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 1 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|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 H 1S|2S|3S|4S|5PX|5PY|5PZ|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 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|6 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|7 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|8 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|9 H 1S|2S|3S|4S|5PX|5PY|5PZ|10 H 1S|2S|3S|4S|5PX|5PY|5PZ|11 H 1S|2S|3S|4S|5PX|5PY|5PZ|12 H 1S|2S|3S|4S|5PX|5PY|5PZ|13 H 1S|2S|3S|4S|5PX|5PY|5PZ|14 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|15 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|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 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 1.10433 0.88494 0.17583 0.23065 0.23313 0.74068 0.44611 0.54730 0.55281 0.49347 0.12492 0.32961 0.34145 0.11976 -0.00078 -0.00125 0.01541 0.00990 0.01214 0.00873 0.01532 0.01100 1.10438 0.88461 0.23871 0.20858 0.19394 0.75514 0.53048 0.48198 0.47832 0.49135 0.18335 0.16866 0.29577 0.11083 0.06922 0.03456 0.02949 0.00810 0.01455 0.01166 0.01763 0.02284 0.26750 0.47859 0.00689 -0.05470 0.00780 0.01064 0.00775 1.10444 0.88456 0.24357 0.20691 0.18621 0.75918 0.53957 0.49176 0.46773 0.47074 0.18503 0.19439 0.31095 -0.04672 -0.01715 0.03291 0.00963 0.00971 0.01273 0.01263 0.02327 0.01762 1.09541 0.89598 0.25361 0.25790 0.27560 0.87310 0.58965 0.59540 0.62810 0.60281 0.29191 0.32676 0.46666 -0.30560 -0.09025 -0.07704 -0.05774 0.00749 0.00944 0.00716 0.01409 0.01521 1.09593 0.89540 0.20959 0.28190 0.24269 0.93468 0.50713 0.63190 0.55909 0.81498 0.11592 0.31729 0.37505 0.01733 0.15286 0.07520 0.02389 0.00723 0.01407 0.00780 0.00949 0.02161 1.09568 0.89564 0.27530 0.24664 0.23928 0.90159 0.62471 0.56770 0.55503 0.74342 0.35739 0.28527 0.42383 -0.32981 0.15720 -0.03250 -0.02516 0.00670 0.00822 0.00668 0.01368 0.01206 1.13229 0.85483 0.15953 0.14166 0.16544 0.64361 0.38225 0.36497 0.40551 0.02137 0.02102 0.07105 0.05909 0.08359 -0.03269 -0.00271 0.00989 0.03084 0.02886 0.03229 0.01921 0.03033 0.19299 0.41640 0.04483 0.00344 0.02268 0.01657 0.00579 0.25790 0.56174 0.11757 -0.07029 0.01028 0.00504 0.00243 0.26925 0.46739 0.01803 0.00474 0.00296 0.01143 0.00776 0.27040 0.47357 0.02354 -0.00783 0.00480 0.00534 0.01188 0.27037 0.47463 0.03095 -0.00558 0.00584 0.00905 0.00720 1.10473 0.88369 0.18306 0.17479 0.28167 0.79348 0.42849 0.42271 0.48626 0.46877 0.28964 0.31293 0.11383 -0.01274 0.07180 0.06055 0.03261 0.01446 0.01713 0.01834 0.00151 0.00136 1.09599 0.89497 0.21526 0.20686 0.31473 0.94047 0.48754 0.47432 0.64283 0.92873 0.35937 0.36305 0.31642 0.04361 -0.01588 -0.02107 0.00196 0.01206 0.01073 0.01046 0.00081 0.00082 1.10473 0.88369 0.18017 0.25064 0.20872 0.79349 0.42648 0.46808 0.44287 0.46875 0.29597 0.16795 0.25267 -0.01299 0.07120 0.03896 0.05416 0.01294 0.00572 0.01119 0.00972 0.01323 1.09599 0.89497 0.21271 0.28226 0.24188 0.94046 0.48365 0.59172 0.52933 0.92870 0.36109 0.32748 0.35026 0.04365 -0.01607 -0.00464 -0.01409 0.00707 0.00378 0.00916 0.00720 0.00767 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 C C H C N N N B H H H H H C N C N -0.395459 -0.334138 0.275533 -0.099687 0.324360 -0.311043 -0.028551 0.377767 0.297295 0.115328 0.218432 0.218309 0.207541 -0.149078 -0.284020 -0.148343 -0.284245 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 4 5 6 7 8 14 15 16 17 C C C N N N B C N C N 0.248822 -0.058604 -0.099687 0.324360 -0.311043 0.268744 0.493095 -0.149078 -0.284020 -0.148343 -0.284245 -0.00000 123.641 20.518 111.334 -9.713 -5.911 101.529 111.116 9.724 114.797 -4.642 -6.819 104.649 -737.9038 -7.6281 -0.0005 0.0004 0.0006 7.9917 17.9659 60.0299 71.2212 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 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 -737.9037 60.0255 70.7763 81.3081 106.8440 130.0337 189.6951 301.3586 310.1467 336.4802 406.3207 455.9309 457.2197 519.4352 666.8021 673.7998 699.1445 734.6244 735.5436 850.0118 935.4777 1001.8694 1036.5822 1046.0025 1077.3614 1087.3789 1122.3141 1157.0811 1184.4270 1313.5649 1337.3056 1387.1461 1454.8526 1487.8249 1489.6810 1517.2774 1614.2461 1647.5492 2363.6498 2365.9160 2488.6964 3084.4843 3171.6860 3198.8113 3301.2034 1.1683 6.5016 1.0471 6.8419 11.0272 7.2322 3.9471 4.2076 7.1336 5.9726 7.8503 8.8968 4.7661 12.2882 3.5676 5.4856 1.2834 5.3265 6.0163 1.4432 8.1623 1.0718 1.3296 6.0669 1.6883 4.7010 3.1886 1.3349 1.7380 6.4451 5.7765 4.8378 1.3978 1.2273 1.5299 1.4645 3.3262 1.2476 12.4194 12.7129 1.0257 1.0328 1.1072 1.1056 1.1027 0.3748 0.0138 0.0031 0.0266 0.0742 0.0720 0.0837 0.2251 0.4043 0.3984 0.7636 1.0896 0.5870 1.9534 0.9346 1.4674 0.3696 1.6937 1.9178 0.6144 4.2085 0.6338 0.8418 3.9110 1.1546 3.2750 2.3664 1.0530 1.4365 6.5522 6.0866 5.4846 1.7432 1.6006 2.0003 1.9864 5.1067 1.9952 40.8806 41.9271 3.7431 5.7893 6.5621 6.6655 7.0800 1926.5931 0.2652 0.0826 11.5250 14.6485 13.6281 2.9038 28.4990 0.6597 0.4544 0.0889 2.1199 8.9066 1.7220 9.8920 24.3973 14.2441 27.2243 16.5272 29.3830 134.1304 22.7097 28.0468 120.4317 2.2338 16.4722 108.0551 0.1684 95.9820 15.1221 23.0905 1.1347 5.6316 18.3814 16.3215 8.7053 24.7580 116.6498 8.2986 6.0707 1679.9904 17.8423 4.0307 0.2750 6.2719 -0.01 0.01 -0.00 0.01 0.00 -0.00 0.02 0.01 -0.01 0.01 -0.04 0.02 -0.02 0.02 -0.01 -0.02 0.01 -0.01 -0.01 -0.06 0.03 -0.05 0.04 -0.02 0.67 0.51 -0.24 0.46 0.12 -0.05 0.01 0.01 -0.00 -0.02 -0.00 0.00 -0.02 -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 0.01 -0.15 -0.29 -0.00 0.02 0.03 -0.00 -0.00 -0.00 -0.01 0.09 0.16 0.00 -0.04 -0.08 0.00 -0.02 -0.03 -0.00 0.06 0.12 -0.00 0.06 0.12 -0.00 0.05 0.10 -0.00 0.05 0.10 0.00 -0.21 -0.39 0.15 -0.09 -0.37 -0.11 -0.24 -0.29 -0.14 -0.03 0.08 -0.30 -0.12 0.03 0.14 0.08 0.02 0.30 0.10 -0.07 -0.00 0.02 0.02 0.00 -0.01 -0.01 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 -0.01 -0.02 0.00 -0.01 -0.01 0.00 0.00 0.01 0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 0.01 0.02 0.05 -0.30 -0.45 -0.18 0.56 0.00 0.13 -0.22 0.54 0.00 -0.01 0.01 0.01 -0.02 0.01 -0.01 0.01 -0.00 -0.01 0.02 -0.01 0.00 -0.04 -0.07 0.01 -0.15 -0.28 0.02 -0.30 -0.58 0.00 -0.04 -0.08 0.00 -0.01 -0.03 -0.01 0.17 0.31 -0.01 0.14 0.27 0.01 -0.05 -0.09 -0.00 0.06 0.11 0.00 -0.06 -0.11 0.01 -0.10 -0.17 0.02 0.06 -0.09 -0.02 -0.10 0.01 -0.01 0.05 -0.09 -0.06 0.20 -0.10 0.02 -0.10 -0.00 0.06 -0.19 0.11 -0.11 -0.15 0.07 -0.15 -0.09 0.04 -0.18 -0.10 0.05 -0.14 -0.05 0.02 -0.12 -0.10 0.05 -0.09 -0.07 0.04 -0.11 -0.05 0.02 -0.13 -0.03 0.01 -0.11 -0.03 0.01 -0.12 -0.04 0.01 -0.06 -0.15 0.07 -0.12 -0.16 0.08 -0.12 -0.17 0.09 0.03 0.08 0.06 0.37 0.37 0.16 0.04 -0.00 -0.10 0.38 0.09 -0.38 -0.02 0.20 -0.10 0.15 -0.01 0.01 0.24 0.05 -0.01 0.13 -0.14 0.08 0.03 0.03 -0.02 -0.06 -0.06 0.03 0.01 -0.15 0.08 0.16 -0.21 0.12 0.01 -0.24 0.13 0.07 -0.24 0.13 -0.18 0.21 -0.10 0.02 0.25 -0.13 0.04 0.27 -0.15 0.04 -0.06 0.09 -0.21 0.29 0.02 0.04 -0.10 0.00 -0.20 0.14 -0.26 0.01 -0.10 -0.20 -0.01 0.12 0.23 -0.01 0.16 0.30 -0.00 0.05 0.10 -0.01 0.09 0.17 -0.00 0.03 0.06 -0.00 0.02 0.04 0.00 -0.05 -0.09 0.00 -0.06 -0.12 0.01 -0.09 -0.17 -0.01 -0.25 -0.43 0.25 0.08 -0.34 -0.20 -0.29 -0.13 -0.02 -0.03 -0.11 0.13 0.05 -0.07 0.03 -0.07 -0.09 -0.13 -0.08 -0.01 -0.03 0.24 -0.12 0.06 -0.11 0.06 0.05 -0.12 0.06 0.03 -0.08 0.06 0.07 -0.09 0.04 0.06 -0.11 0.06 0.06 -0.07 0.05 -0.12 0.08 -0.05 -0.06 -0.09 0.05 -0.13 0.06 -0.04 -0.41 0.25 -0.13 0.06 0.39 -0.19 0.14 0.41 -0.20 -0.18 0.10 -0.07 0.09 -0.04 0.00 -0.17 0.11 -0.06 0.08 -0.03 0.04 -0.01 0.04 0.11 -0.00 0.01 0.01 -0.00 -0.01 -0.03 -0.01 0.17 0.32 0.01 -0.14 -0.28 0.00 -0.08 -0.16 -0.01 0.12 0.22 0.01 -0.02 -0.02 0.01 -0.03 -0.08 0.01 -0.09 -0.15 0.03 0.18 0.34 -0.30 -0.12 0.27 0.24 0.23 0.09 -0.18 -0.13 -0.10 0.13 0.08 -0.01 0.21 -0.01 -0.14 -0.14 -0.05 0.05 0.00 0.00 0.00 0.00 -0.02 -0.05 0.00 -0.05 -0.09 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 0.03 -0.00 0.01 0.02 -0.00 0.00 0.00 0.01 -0.18 -0.34 0.02 -0.30 -0.57 -0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.19 0.37 -0.05 0.09 -0.18 0.02 0.18 -0.24 0.28 -0.09 0.11 -0.14 -0.22 0.03 -0.03 -0.11 -0.16 0.08 -0.19 -0.21 0.11 -0.05 -0.02 0.01 -0.10 -0.16 0.08 -0.04 -0.13 0.07 -0.06 -0.05 0.02 0.12 0.11 -0.05 -0.02 -0.01 0.01 -0.01 -0.03 0.02 -0.48 0.03 -0.04 -0.15 0.14 -0.08 -0.11 0.14 -0.08 0.34 0.08 -0.13 -0.03 -0.01 -0.25 0.33 0.15 0.03 -0.04 0.19 0.15 -0.00 0.07 -0.02 -0.09 0.05 0.16 -0.20 0.00 0.25 -0.08 0.16 0.11 0.04 -0.14 -0.11 0.11 -0.04 -0.08 0.03 0.19 0.14 -0.03 -0.03 -0.05 0.07 0.18 -0.09 0.08 0.09 -0.06 -0.17 0.12 0.05 -0.10 0.10 0.01 0.19 0.22 -0.05 0.42 0.14 0.04 -0.10 -0.05 -0.12 -0.36 -0.24 0.15 0.05 -0.14 -0.19 -0.00 0.11 -0.06 -0.16 -0.08 -0.02 -0.35 -0.22 0.03 -0.13 0.11 -0.12 0.06 -0.09 0.10 0.19 0.01 0.03 0.07 0.13 -0.14 -0.06 -0.00 0.02 0.12 0.32 -0.16 0.13 0.17 -0.08 -0.34 0.10 -0.10 0.12 0.26 -0.14 0.09 0.23 -0.14 -0.06 -0.18 0.12 -0.03 0.05 0.14 0.18 -0.11 -0.00 -0.07 -0.03 -0.04 0.03 0.01 -0.00 -0.01 0.01 -0.00 -0.02 -0.00 0.00 -0.01 0.01 -0.01 0.02 0.00 -0.00 0.02 0.01 -0.00 0.01 0.02 -0.01 -0.02 0.01 -0.00 -0.03 0.05 -0.02 -0.01 0.03 -0.01 0.02 0.01 -0.00 0.03 0.02 -0.01 0.03 0.02 -0.01 -0.16 -0.52 -0.31 0.14 0.14 -0.24 -0.19 -0.05 0.60 0.13 0.28 0.03 0.02 0.02 0.03 0.01 -0.10 -0.18 0.02 -0.35 -0.67 -0.01 0.09 0.19 -0.00 0.13 0.24 0.00 -0.10 -0.18 -0.01 0.00 0.02 -0.02 0.02 -0.00 0.00 -0.15 -0.25 -0.02 -0.10 -0.18 0.00 -0.03 -0.04 0.22 0.04 -0.07 -0.16 -0.07 -0.03 0.06 -0.01 0.01 -0.01 0.00 -0.01 -0.04 0.00 -0.00 0.00 -0.01 -0.00 -0.27 -0.06 0.02 -0.01 -0.03 -0.01 -0.03 -0.06 -0.05 0.07 0.08 -0.02 -0.08 -0.03 0.05 0.08 0.02 -0.03 0.06 0.10 -0.05 0.40 -0.23 0.13 0.15 0.29 -0.18 0.43 0.08 -0.06 -0.34 -0.07 0.02 -0.22 -0.02 -0.01 -0.25 -0.03 0.00 -0.15 0.07 -0.05 0.04 -0.02 0.00 -0.16 0.08 -0.04 0.04 -0.01 0.01 0.00 0.00 0.00 0.00 -0.01 -0.02 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.02 0.04 0.00 -0.02 -0.05 -0.00 0.00 0.01 0.00 0.01 0.03 -0.02 0.27 0.51 -0.02 0.37 0.71 -0.00 -0.00 -0.01 0.03 0.01 -0.01 -0.02 -0.01 -0.00 -0.04 0.05 -0.05 0.02 -0.01 -0.04 0.04 -0.07 0.02 -0.02 -0.03 -0.03 0.28 0.07 -0.02 -0.15 0.02 0.01 -0.36 0.02 0.32 -0.12 -0.11 -0.21 0.05 0.02 0.06 -0.09 -0.13 -0.13 -0.12 0.08 0.21 0.12 -0.21 0.08 -0.04 0.28 -0.11 0.17 -0.04 -0.19 0.24 0.07 -0.03 0.30 0.09 -0.03 0.25 0.06 -0.03 -0.04 0.05 -0.03 0.02 -0.01 -0.02 0.00 0.10 -0.03 0.02 0.05 0.06 -0.23 -0.06 0.03 0.13 0.01 0.03 0.28 0.29 0.31 0.11 -0.14 -0.28 -0.05 0.05 0.09 0.08 -0.07 -0.23 0.09 0.16 0.26 -0.10 0.14 -0.12 0.03 -0.20 0.16 -0.13 -0.16 -0.20 -0.22 -0.07 0.02 -0.18 -0.04 0.00 -0.27 -0.08 0.03 -0.01 -0.07 0.06 -0.03 0.01 0.08 0.04 -0.03 0.03 -0.01 0.00 -0.01 -0.00 0.00 0.00 0.01 -0.08 -0.16 -0.02 0.46 0.86 -0.00 0.03 0.06 -0.00 0.01 0.02 -0.00 0.01 0.01 0.00 -0.00 -0.01 -0.00 0.01 0.01 0.00 -0.02 -0.04 0.00 -0.01 -0.02 -0.00 -0.01 -0.02 0.04 0.01 -0.02 -0.04 -0.02 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.12 0.01 -0.00 0.08 -0.14 0.08 -0.28 -0.38 0.19 0.17 0.17 -0.08 -0.02 -0.09 0.05 -0.22 -0.08 0.04 -0.23 0.04 -0.03 0.38 0.42 -0.21 0.10 -0.05 0.01 0.13 -0.09 0.07 0.08 0.01 -0.01 0.12 0.02 -0.00 0.13 0.02 -0.01 -0.08 -0.07 0.05 -0.02 0.01 0.11 -0.08 -0.08 0.03 -0.01 -0.09 -0.08 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.02 -0.00 0.01 0.01 -0.00 0.00 0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.03 -0.00 0.03 0.06 -0.04 0.38 0.69 0.01 -0.28 -0.55 0.00 0.00 0.01 -0.01 0.00 0.00 0.01 0.00 0.01 0.01 -0.01 -0.01 0.00 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 -0.01 -0.01 -0.02 0.00 -0.00 0.06 0.05 -0.02 0.23 0.16 -0.07 -0.02 0.02 -0.01 0.02 0.01 -0.00 0.00 -0.11 0.06 -0.03 -0.01 0.00 0.02 -0.00 -0.02 -0.46 0.53 -0.30 -0.21 0.45 -0.22 0.06 0.00 0.00 -0.05 -0.05 0.02 -0.07 -0.05 0.03 0.01 -0.01 0.01 -0.01 0.00 0.02 0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.02 0.01 0.03 -0.00 -0.06 0.00 -0.05 -0.10 0.00 0.00 -0.00 0.00 -0.02 0.02 -0.00 0.01 0.03 -0.02 0.30 0.57 -0.05 -0.25 -0.66 -0.03 0.04 -0.09 0.01 -0.00 -0.01 0.00 -0.01 -0.00 -0.03 -0.01 0.00 0.01 -0.04 -0.08 0.05 0.01 -0.14 -0.00 -0.05 -0.08 -0.04 -0.13 -0.08 -0.04 0.12 -0.06 -0.09 -0.04 0.02 -0.27 -0.16 0.08 -0.01 -0.03 0.01 -0.04 0.08 -0.04 0.07 -0.06 0.03 0.06 -0.02 0.01 0.04 0.04 -0.02 0.01 -0.06 0.04 -0.01 -0.03 0.01 0.67 0.10 -0.04 -0.19 -0.32 0.09 -0.33 -0.26 0.21 -0.01 -0.01 0.00 -0.00 0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.01 -0.01 -0.04 -0.07 0.04 -0.18 0.34 -0.18 -0.43 0.22 -0.13 -0.08 0.01 -0.01 0.08 0.02 -0.01 0.05 -0.15 0.08 0.10 -0.18 0.09 0.14 0.13 -0.07 0.14 -0.26 0.15 0.07 -0.20 0.10 -0.45 -0.07 0.03 0.01 0.15 -0.03 0.09 0.11 -0.10 -0.02 -0.01 0.01 -0.00 0.00 0.03 -0.02 -0.01 0.00 -0.00 -0.02 -0.02 0.01 -0.03 0.03 -0.12 -0.08 0.04 -0.27 -0.18 0.09 0.00 -0.15 0.08 -0.02 0.03 -0.03 -0.12 0.18 -0.10 0.22 -0.06 0.04 0.10 0.08 -0.04 -0.44 0.30 -0.18 -0.28 0.38 -0.21 -0.16 -0.05 -0.01 0.17 0.15 -0.07 0.10 0.12 -0.11 0.00 -0.02 0.01 -0.01 0.00 0.02 0.00 -0.02 0.01 -0.00 -0.02 -0.01 -0.01 0.07 0.13 0.01 0.01 0.01 -0.02 -0.02 -0.00 0.00 0.00 -0.01 0.01 -0.04 -0.07 -0.00 -0.01 0.00 -0.01 0.01 0.00 -0.01 -0.01 0.00 0.02 0.01 0.03 0.01 -0.02 -0.01 -0.05 -0.20 -0.28 0.65 -0.00 -0.15 -0.59 -0.14 -0.18 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.02 0.00 -0.10 -0.04 0.02 0.75 0.52 -0.25 -0.08 -0.08 0.04 -0.11 -0.01 -0.00 0.06 -0.01 0.01 0.01 0.04 -0.02 0.09 0.06 -0.03 0.06 -0.08 0.05 0.07 -0.09 0.05 0.02 0.01 -0.03 0.10 0.05 -0.01 0.05 0.03 -0.04 -0.01 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.01 -0.01 0.02 0.09 -0.04 0.06 -0.04 0.02 0.48 0.22 -0.10 -0.17 0.37 -0.20 -0.04 -0.18 0.09 -0.04 0.17 -0.09 0.12 -0.32 0.17 0.02 -0.03 0.02 -0.06 0.00 -0.00 -0.09 -0.06 0.03 0.31 0.06 -0.06 0.02 -0.27 0.02 -0.09 -0.14 0.19 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 0.04 -0.03 0.02 0.04 -0.04 0.02 -0.29 -0.27 0.13 -0.01 -0.05 0.03 -0.08 0.10 -0.06 0.39 0.17 -0.08 -0.32 -0.20 0.09 0.07 0.05 -0.02 -0.41 0.23 -0.14 -0.19 -0.12 0.06 -0.32 -0.03 0.00 -0.05 0.16 0.02 -0.05 0.03 -0.15 -0.01 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.13 0.09 -0.06 0.01 0.11 -0.06 0.10 0.17 -0.09 -0.11 -0.21 0.11 0.28 -0.20 0.12 -0.01 0.16 -0.09 -0.14 0.05 -0.03 0.08 0.07 -0.03 -0.09 0.06 -0.04 0.07 -0.11 0.06 0.24 0.06 -0.07 -0.01 -0.54 0.01 -0.10 -0.22 0.44 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.14 -0.06 0.03 -0.01 -0.04 0.02 0.09 0.02 -0.01 -0.03 0.02 -0.01 0.06 0.04 -0.02 0.01 -0.01 0.00 -0.03 -0.02 0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 0.05 -0.06 0.03 0.63 -0.06 0.05 0.33 0.28 -0.24 0.35 0.39 -0.15 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.04 -0.03 -0.01 -0.05 0.03 0.10 0.01 -0.01 -0.05 0.01 -0.01 0.08 0.04 -0.04 -0.02 -0.00 0.00 -0.00 -0.01 0.00 0.01 0.01 -0.00 0.01 -0.00 0.01 0.05 -0.05 0.03 -0.12 0.35 0.55 0.03 0.47 -0.12 -0.36 -0.38 0.15 -0.00 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 -0.04 0.01 0.07 -0.04 -0.16 -0.02 0.00 0.08 -0.02 0.01 -0.14 -0.07 0.02 0.03 0.00 0.00 0.00 0.01 -0.00 -0.02 -0.01 0.01 -0.02 0.01 -0.00 -0.07 0.08 -0.04 0.07 0.25 0.33 0.58 0.00 -0.28 0.27 -0.13 0.49 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.04 -0.01 0.00 0.04 0.08 -0.04 -0.12 -0.01 -0.00 0.02 -0.04 0.02 -0.07 -0.12 0.06 0.01 0.03 -0.01 0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.04 0.04 -0.02 0.48 0.06 0.11 -0.31 0.52 0.05 -0.34 0.05 -0.46 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 0.01 -0.01 -0.27 -0.03 0.00 0.21 0.34 -0.17 0.31 0.06 -0.02 0.10 -0.03 0.02 0.01 0.03 -0.02 -0.10 -0.05 0.02 -0.04 -0.05 0.02 0.26 -0.15 0.09 -0.39 0.50 -0.27 0.05 0.01 0.00 -0.11 0.03 0.03 -0.11 -0.03 -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 0.07 0.00 0.00 -0.04 -0.09 0.04 -0.11 -0.02 0.01 -0.01 0.02 -0.01 0.01 0.00 -0.00 -0.02 0.00 -0.00 0.06 -0.01 0.01 0.50 -0.33 0.19 -0.36 0.58 -0.32 -0.01 -0.01 0.00 0.02 -0.00 -0.01 0.02 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 0.04 0.05 -0.02 0.04 0.07 -0.04 -0.13 -0.03 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.15 -0.01 0.53 0.11 0.01 -0.41 -0.12 -0.45 -0.30 0.09 0.34 0.23 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.05 -0.10 0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.15 -0.01 0.54 0.11 0.01 -0.41 0.12 0.45 0.30 -0.09 -0.35 -0.23 0.00 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 0.01 -0.00 -0.01 -0.02 0.01 -0.02 0.01 -0.01 -0.34 -0.33 0.16 0.73 0.42 -0.20 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 -0.00 0.00 0.00 0.00 -0.05 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.39 -0.26 0.25 0.11 0.58 0.30 -0.44 -0.29 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.05 -0.08 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.05 0.02 0.28 0.11 0.64 -0.35 0.52 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.02 -0.08 0.05 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.74 -0.48 -0.11 -0.06 -0.26 -0.17 0.26 0.18 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.06 -0.06 0.04 -0.59 0.70 -0.39 -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 6 6 1 6 7 7 7 5 1 1 1 1 1 6 7 6 7 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 6 6 1 6 7 7 7 5 1 1 1 1 1 6 7 6 7 12.00000 12.00000 1.00783 12.00000 14.00307 14.00307 14.00307 11.00931 1.00783 1.00783 1.00783 1.00783 1.00783 12.00000 14.00307 12.00000 14.00307 147.07163 943.68749 2828.04012 3251.76389 0.7937 -0.02824 -0.60766 0.54951 0.46174 0.6963 -0.26092 0.88657 -0.382 asymmetric 1 0.09178 0.03063 0.02664 1.91244 0.63816 0.55500 303001.5 86.36 101.83 116.98 153.72 187.09 272.93 433.59 446.23 484.12 584.60 655.98 657.84 747.35 959.38 969.45 1005.91 1056.96 1058.28 1222.98 1345.94 1441.47 1491.41 1504.96 1550.08 1564.50 1614.76 1664.78 1704.13 1889.93 1924.08 1995.79 2093.21 2140.65 2143.32 2183.02 2322.54 2370.46 3400.76 3404.03 3580.68 4437.88 4563.35 4602.38 4749.70 0.115407 0.125769 0.126714 0.078275 -492.503012 -492.492649 -492.491705 -492.540144 78.921 36.172 101.947 0.000 0.000 0.000 0.889 2.981 40.868 0.889 2.981 30.541 77.144 30.211 30.539 1 0.597 1.973 4.456 2 0.598 1.968 4.132 3 0.600 1.962 3.859 4 0.606 1.944 3.325 5 0.612 1.923 2.946 6 0.633 1.854 2.231 7 0.693 1.671 1.409 8 0.699 1.654 1.362 9 0.717 1.603 1.229 10 0.771 1.456 0.940 11 0.814 1.348 0.778 12 0.815 1.345 0.774 13 0.874 1.207 0.611 0.990874e-36 -36.003981 -82.902231 0.120111e+18 17.079582 39.327192 0.134032e-49 -49.872791 -114.836344 1 0.344024e+01 0.536588 1.235540 2 0.291370e+01 0.464445 1.069424 3 0.253236e+01 0.403525 0.929151 4 0.191819e+01 0.282892 0.651382 5 0.156777e+01 0.195283 0.449656 6 0.105518e+01 0.023326 0.053711 7 0.630581e+00 -0.200259 -0.461114 8 0.609636e+00 -0.214930 -0.494894 9 0.553068e+00 -0.257222 -0.592275 10 0.436620e+00 -0.359897 -0.828692 11 0.374309e+00 -0.426770 -0.982674 12 0.372859e+00 -0.428456 -0.986556 13 0.310909e+00 -0.507367 -1.168255 0.162470e+04 3.210773 7.393078 1 0.397638e+01 0.599488 1.380372 2 0.345629e+01 0.538610 1.240196 3 0.308125e+01 0.488727 1.125335 4 0.248228e+01 0.394852 0.909179 5 0.214557e+01 0.331544 0.763407 6 0.166765e+01 0.222105 0.511415 7 0.130476e+01 0.115529 0.266016 8 0.128845e+01 0.110068 0.253441 9 0.124558e+01 0.095370 0.219598 10 0.116380e+01 0.065880 0.151695 11 0.112459e+01 0.050993 0.117415 12 0.112372e+01 0.050657 0.116642 13 0.108878e+01 0.036941 0.085060 0.100000e+01 0.000000 0.000000 0.701047e+08 7.845747 18.065501 0.105454e+07 6.023062 13.868613 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 8.0530 4.0230 -1.8233 9.1848 -78.9751 -90.8114 -83.5946 -25.9983 12.4359 2.6305 5.4853 -6.3510 0.8658 -25.9983 12.4359 2.6305 427.3222 441.4937 -196.8256 237.9219 203.6891 -92.3213 197.5068 149.0426 -30.7063 -19.7357 -2885.9874 -2467.7835 -1074.7024 -1323.1231 607.2004 -1471.9462 163.6841 698.7435 420.9652 -1198.4398 -874.2895 -543.6238 166.3920 124.6583 -495.9683 0 -492.6184188 1.835E-9 2.676E-6 0.1154072 0.1257694 -492.4926494 -492.4917052 -492.5401437 4.078176,-4.7218413,0.6436654,-19.3290904,9.2458068,1.9557151 C01 [X(C5H6B1N5)] 3.1683044 1.5827768 -0.7173317 0.6190387 0.1287809 -0.041606 0.1488341 0.1944997 0.0239273 -0.0755021 0.0200634 0.1992529 0.1998926 -0.1244963 0.0754594 0.16433 -0.0182246 -0.0037023 -0.0852606 -0.0138341 -0.0311415 0.08917 0.0186644 -0.0127778 0.0096464 0.1340385 0.034009 -0.0068088 0.0338543 0.1795674 -0.2725823 0.1141288 -0.0651322 -0.14299 -0.39233 0.0949831 0.0726563 0.1007089 -0.258925 -0.7210175 -0.2241372 0.0915787 -0.0659171 0.1390826 -0.1081499 0.0360116 -0.1039463 -0.0031431 0.1859714 -0.2246841 0.1288235 -0.1237331 -0.3584148 0.1421711 0.0709987 0.1326816 -0.1481207 -1.0139631 -0.2504057 0.1017652 -0.3242381 -0.1586889 -0.0386658 0.1441962 -0.0305199 -0.1803015 0.7941916 -0.070266 0.0229336 0.2086171 1.2600544 -0.0105447 -0.1231972 -0.0199677 1.2348468 1.0839902 0.8230451 -0.3990145 0.6950833 0.7007532 -0.2990329 -0.3330987 -0.2957313 0.2317153 -0.1154732 -0.0759331 0.0359555 -0.3137811 -0.567089 0.2899348 0.1617506 0.2975496 -0.1459771 0.052538 0.0405432 -0.0330502 -0.0408757 0.0331569 0.0551441 0.0187794 0.0596867 0.0830594 -0.0362399 -0.0447871 0.0205927 -0.0389864 0.1011987 -0.0022237 -0.0604538 -0.0259725 -0.0398288 -0.0295858 -0.035645 0.0212658 0.0464291 -0.0051171 -0.069084 0.0501192 -0.0508635 0.0790215 -0.0843363 -0.0088254 0.0924467 -0.0834715 -0.1316793 0.0002556 0.1056934 0.0055113 -0.366675 -0.3382026 0.0003459 -0.0022711 0.0196234 -0.3083677 -0.0037656 0.0559162 0.0217763 -0.3200104 -0.0793571 -0.0692115 -0.0360791 -0.1227368 -0.2969677 -0.113933 0.0177627 -0.1148038 -0.207312 -0.3340349 0.002883 -0.0008901 -0.0358337 -0.3259047 0.008677 -0.0495632 -0.0161929 -0.3060284 123.64108|20.5182386|111.3335429|-9.7128418|-5.911339|101.5294506 0.000000173 -0.000000654 -0.000001494 -0.000000153 0.000000747 0.000001927 -0.000000288 0.000002254 0.000004626 -0.000000088 0.000000051 0.000000106 0.000000126 -0.000001030 -0.000000360 0.000000652 -0.000001995 -0.000003972 0.000000350 -0.000001972 -0.000003506 0.000000105 -0.000002415 -0.000005077 0.000000212 -0.000001798 -0.000004120 0.000000107 -0.000001267 -0.000003096 0.000000925 -0.000001514 -0.000002783 -0.000001348 0.000002607 -0.000000593 0.000000693 -0.000002155 0.000003130 -0.000002712 0.000004429 0.000003538 -0.000002947 0.000007542 0.000000019 0.000001946 0.000000845 0.000005598 0.000002246 -0.000003674 0.000006055 140.898 AuxInfo=1/0/N:1,2,14,16,4,8,15,17,7,6,5;9/E:(3,4)(7,8);/CRV:2.3,3.2,4.2,5.3,6.4,7.1,8.1,9.2,10.2;/rA:17nCC3HC3NN2N2B4H0HHHHC2N1C2N1/rB:;s2;s2;s1s2;s5;s4s6;s4;;s8;s1;s1;s1;s8;s14;s8;s16;/rC:1.5995,-.1003,-.0452;-.2929,-1.6118,.6717;.3431,-2.3726,1.091;-1.6525,-1.4865,.5626;.2044,-.4895,.0977;-.759,.3037,-.349;-1.8699,-.3005,-.0672;-3.0386,-2.1806,.8806;-3.3321,-.6588,.0725;-3.9508,-1.2276,.3521;1.6264,.8112,-.6371;2.0328,.0823,.9376;2.1466,-.891,-.5568;-3.4974,-2.2264,2.3788;-3.8059,-2.2502,3.4881;-3.4213,-3.4485,.0421;-3.6733,-4.3805,-.5856;