Gaussian 16 GINC-IRENE5568 PENASFRA cl_quinoline_prot AS64L-G16RevC.02 24-Feb-2024 Gaussian 16 7-Dec-2021 AS64L-G16RevC.02 RwB97XD GenECP FOpt # opt=(maxstep=1) freq wb97xd/genecp scrf=(solvent=toluene,pcm) nosymm pop=(regular,orbitals=20) optcyc=300 scfcyc=300 203.82 1 1 AuxInfo=1/0/N:6,11,5,8,1,12,4,2,3,17,19,20,16/E:(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3/rA:20nC3C3C3C3C3C3HC3HHC3C3HHHNBHClCl/rB:s1;s2;s3;s4;s1s5;s1;s4;s5;s6;s8;s11;s8;s11;s12;s3s12;s2;s16;s17;s17;/rC:-.4376,1.9084,.1694;-.4556,.5517,-.0723;.8222,-.0653,-.1085;2.0383,.6471,.0495;1.9752,2.0415,.2885;.754,2.6485,.3572;-1.384,2.4356,.2056;3.2531,-.0598,-.037;2.8953,2.6006,.4127;.6882,3.7139,.5446;3.2714,-1.4182,-.2611;2.0583,-2.0873,-.3779;4.1846,.484,.0786;4.1958,-1.9737,-.3293;1.9837,-3.1571,-.5193;.9178,-1.4192,-.3046;-1.7905,-.2899,-.4328;.0336,-1.934,-.3034;-1.9547,-1.7817,.7939;-3.3412,.7478,-.3354; /ccc/products/gaussian-16-C.02/system/default/g16/g16 Output=cl_quinoline_prot.log nprocshared=128 mem=30GB chk=cl_quinoline_prot.chk # opt=(maxstep=1) freq wb97xd/genecp scrf=(solvent=toluene,pcm) nosymm 1/6=300,8=1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=7,11=2,16=1,17=8,25=1,30=1,70=2201,71=1,72=13,74=-58/1,2,3 4//1 5/5=2,7=300,38=5,53=13/2 6/28=1,96=20/1 7/30=1/1,2,3,16 1/6=300,8=1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=7,6=1,11=2,16=1,17=8,25=1,30=1,70=2205,71=1,72=13,74=-58,82=7/1,2,3 4/5=5,16=3,69=1/1 5/5=2,7=300,38=5,53=13/2 7/30=1/1,2,3,16 1/6=300,8=1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/19=2,28=1,96=20/1 99/9=1/99 cl_quinoline_prot Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 1 1 1 2 2 3 3 4 4 5 5 6 8 8 11 11 12 12 16 17 17 2 6 7 3 17 4 16 5 8 6 9 10 11 13 12 14 15 16 18 19 20 1.3782 1.4152 1.0839 1.4195 1.6186 1.4183 1.3713 1.4161 1.4081 1.3655 1.0837 1.0838 1.3769 1.0848 1.3903 1.0807 1.0817 1.3238 1.0232 1.9384 1.8684 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 4 4 11 8 8 12 11 11 15 3 3 12 2 2 19 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 8 8 8 11 11 11 12 12 12 16 16 16 17 17 17 6 7 7 3 17 17 4 16 16 5 8 8 6 9 9 5 10 10 11 13 13 12 14 14 15 16 16 12 18 18 19 20 20 123.3031 118.245 118.4479 114.8716 124.1696 120.7133 123.4165 119.7065 116.877 118.3743 118.7295 122.8962 119.0797 119.3065 121.6138 120.9246 119.0716 119.9988 121.1151 118.8521 120.0326 118.4821 121.9263 119.5819 123.1752 120.2754 116.5459 124.4901 115.8688 119.383 109.211 112.5887 108.9115 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 6 6 7 7 2 2 7 7 1 1 17 17 1 1 3 3 2 2 16 16 2 2 4 4 3 3 8 8 3 3 5 5 4 4 9 9 4 4 13 13 8 8 14 14 11 11 15 15 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 8 8 8 8 11 11 11 11 12 12 12 12 2 2 2 2 6 6 6 6 3 3 3 3 17 17 17 17 4 4 4 4 16 16 16 16 5 5 5 5 8 8 8 8 6 6 6 6 11 11 11 11 12 12 12 12 16 16 16 16 3 17 3 17 5 10 5 10 4 16 4 16 19 20 19 20 5 8 5 8 12 18 12 18 6 9 6 9 11 13 11 13 1 10 1 10 12 14 12 14 15 16 15 16 3 18 3 18 0.5593 -173.7654 179.8246 5.4999 0.904 -179.9141 -178.3599 0.8221 -1.8089 178.1782 172.73 -7.2829 -126.3384 -5.227 59.6517 -179.2369 1.5978 -178.4265 -178.3896 1.586 178.7737 -7.1205 -1.2384 172.8674 -0.0456 179.9322 179.9797 -0.0424 -0.4522 179.6934 179.5224 -0.332 -1.1486 179.6769 178.874 -0.3004 -1.1102 -179.9665 178.7425 -0.1139 -177.7791 1.5286 1.1048 -179.5876 -0.3375 -174.2501 179.0147 5.1021 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 Berny optimization. local minimum Step number 36 out of a maximum of 120 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00302 0.01419 0.01576 0.01773 0.01859 0.01967 0.02071 0.02090 0.02162 0.02193 0.02295 0.02361 0.02387 0.02448 0.02458 0.03191 0.06580 0.13566 0.15224 0.15594 0.15718 0.15994 0.16005 0.16154 0.16575 0.19844 0.21904 0.22047 0.22300 0.23291 0.23729 0.24825 0.25439 0.26985 0.30594 0.35434 0.35533 0.35547 0.35801 0.35918 0.36645 0.37705 0.40398 0.42227 0.42664 0.43168 0.43678 0.45587 0.47078 0.48948 0.51691 0.55353 0.58595 0.94823 -7.24883961e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 2.62302 2.66003 2.04608 2.70130 2.95579 2.67545 2.58774 2.67817 2.66522 2.57702 2.04762 2.04529 2.59842 2.04959 2.62160 2.04169 2.04472 2.50977 1.92499 3.35091 3.30223 2.15739 2.07294 2.05285 2.01919 2.05187 2.21210 2.12248 2.13146 2.02925 2.08057 2.08223 2.12038 2.09341 2.07436 2.11541 2.09332 2.08336 2.10651 2.11303 2.07265 2.09750 2.06163 2.13112 2.09044 2.15118 2.10462 2.02738 2.17560 2.04415 2.06341 2.15703 2.11574 2.01040 0.00455 -3.13044 -3.13986 0.00833 -0.00301 3.13966 3.14137 0.00086 -0.00315 3.13670 3.13115 -0.01219 3.08261 -0.05551 -0.05157 3.09350 0.00028 3.14006 -3.13966 0.00012 3.14032 0.00575 -0.00293 -3.13750 0.00146 -3.13969 -3.13827 0.00376 0.00239 -3.14075 -3.14106 -0.00101 -0.00020 3.14030 3.14094 -0.00174 -0.00224 3.13998 3.14092 -0.00005 3.13968 -0.00045 -0.00253 3.14053 0.00319 3.13768 -3.13704 -0.00255 0.00001 0.00000 0.00000 0.00002 0.00001 0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00003 0.00002 0.00001 -0.00000 -0.00001 -0.00000 -0.00002 0.00003 -0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00002 0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00007 -0.00001 -0.00000 0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00003 0.00003 -0.00002 0.00002 -0.00001 0.00002 0.00012 0.00000 0.00010 0.00004 0.00001 0.00005 0.00002 -0.00004 -0.00006 -0.00015 -0.00017 -0.00033 -0.00025 -0.00022 -0.00014 0.00002 0.00002 0.00003 0.00004 -0.00005 0.00013 -0.00007 0.00012 0.00003 0.00007 0.00003 0.00007 -0.00000 -0.00000 0.00000 0.00000 -0.00006 -0.00004 -0.00010 -0.00007 -0.00001 -0.00006 -0.00001 -0.00006 0.00000 -0.00002 0.00005 0.00003 0.00006 -0.00013 0.00004 -0.00015 0.00002 0.00001 0.00000 0.00003 0.00005 0.00002 -0.00002 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00002 -0.00001 0.00011 0.00005 0.00002 -0.00000 -0.00002 -0.00001 -0.00006 0.00007 -0.00002 0.00003 -0.00000 0.00002 -0.00001 -0.00001 0.00001 -0.00001 0.00000 -0.00002 -0.00001 0.00003 0.00001 -0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00002 0.00003 -0.00005 -0.00005 0.00008 -0.00003 -0.00002 -0.00002 -0.00009 -0.00008 -0.00007 -0.00004 -0.00001 0.00003 0.00014 -0.00003 0.00013 -0.00004 0.00005 0.00004 0.00005 0.00004 -0.00016 -0.00022 -0.00000 -0.00006 0.00024 0.00029 0.00007 0.00012 0.00006 0.00001 0.00012 0.00006 -0.00002 0.00006 -0.00007 0.00001 0.00005 0.00001 0.00011 0.00007 0.00008 0.00003 -0.00000 -0.00005 0.00000 -0.00006 0.00005 -0.00001 -0.00002 -0.00006 -0.00008 -0.00013 0.00002 0.00001 0.00002 0.00004 0.00003 0.00001 -0.00003 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00002 0.00000 -0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00017 0.00004 0.00002 0.00001 -0.00002 -0.00000 -0.00008 0.00008 -0.00003 0.00003 -0.00000 0.00002 -0.00000 -0.00002 0.00001 -0.00001 0.00000 -0.00002 0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00002 -0.00000 -0.00002 -0.00007 0.00011 -0.00004 -0.00001 0.00010 -0.00009 0.00002 -0.00003 -0.00003 0.00004 0.00005 0.00010 -0.00009 -0.00002 -0.00021 -0.00029 -0.00022 -0.00017 -0.00010 -0.00014 -0.00019 0.00003 -0.00002 0.00018 0.00042 0.00001 0.00024 0.00010 0.00008 0.00015 0.00013 -0.00002 0.00006 -0.00007 0.00001 -0.00001 -0.00002 0.00001 -0.00000 0.00007 -0.00003 -0.00001 -0.00011 0.00000 -0.00009 0.00011 0.00002 0.00005 -0.00019 -0.00004 -0.00028 2.62304 2.66004 2.04610 2.70133 2.95582 2.67546 2.58770 2.67818 2.66522 2.57702 2.04762 2.04529 2.59843 2.04959 2.62159 2.04169 2.04472 2.50978 1.92498 3.35109 3.30228 2.15741 2.07295 2.05282 2.01919 2.05179 2.21218 2.12245 2.13149 2.02924 2.08059 2.08223 2.12037 2.09342 2.07435 2.11541 2.09330 2.08337 2.10652 2.11304 2.07264 2.09751 2.06162 2.13113 2.09044 2.15119 2.10462 2.02738 2.17562 2.04415 2.06339 2.15697 2.11585 2.01036 0.00455 -3.13035 -3.13995 0.00835 -0.00305 3.13963 3.14141 0.00091 -0.00305 3.13661 3.13113 -0.01240 3.08232 -0.05572 -0.05174 3.09341 0.00014 3.13986 -3.13963 0.00010 3.14050 0.00617 -0.00293 -3.13726 0.00156 -3.13961 -3.13813 0.00389 0.00237 -3.14069 -3.14113 -0.00101 -0.00021 3.14028 3.14095 -0.00174 -0.00217 3.13995 3.14091 -0.00016 3.13968 -0.00054 -0.00242 3.14054 0.00323 3.13749 -3.13708 -0.00282 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000029 0.000007 0.000763 0.000144 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.903111e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 1 1 1 2 2 3 3 4 4 5 5 6 8 8 11 11 12 12 16 17 17 2 6 7 3 17 4 16 5 8 6 9 10 11 13 12 14 15 16 18 19 20 1.388 1.4076 1.0827 1.4295 1.5641 1.4158 1.3694 1.4172 1.4104 1.3637 1.0836 1.0823 1.375 1.0846 1.3873 1.0804 1.082 1.3281 1.0187 1.7732 1.7475 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 4 4 11 8 8 12 11 11 15 3 3 12 2 2 19 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 8 8 8 11 11 11 12 12 12 16 16 16 17 17 17 6 7 7 3 17 17 4 16 16 5 8 8 6 9 9 5 10 10 11 13 13 12 14 14 15 16 16 12 18 18 19 20 20 123.6095 118.7709 117.6194 115.6912 117.5634 126.7442 121.609 122.1235 116.2674 119.208 119.3029 121.489 119.9437 118.8521 121.2042 119.9382 119.3678 120.6939 121.0679 118.7539 120.1781 118.1224 122.1045 119.7731 123.2537 120.5861 116.1601 124.6529 117.1214 118.2246 123.589 121.2231 115.1876 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 6 6 7 7 2 2 7 7 1 1 17 17 1 1 3 3 2 2 16 16 2 2 4 4 3 3 8 8 3 3 5 5 4 4 9 9 4 4 13 13 8 8 14 14 11 11 15 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 8 8 8 8 11 11 11 11 12 12 12 2 2 2 2 6 6 6 6 3 3 3 3 17 17 17 17 4 4 4 4 16 16 16 16 5 5 5 5 8 8 8 8 6 6 6 6 11 11 11 11 12 12 12 12 16 16 16 3 17 3 17 5 10 5 10 4 16 4 16 19 20 19 20 5 8 5 8 12 18 12 18 6 9 6 9 11 13 11 13 1 10 1 10 12 14 12 14 15 16 15 16 3 18 3 0.2609 -179.3612 -179.9008 0.4771 -0.1727 179.8891 179.9873 0.049 -0.1803 179.7197 179.4017 -0.6984 176.6205 -3.1803 -2.9545 177.2447 0.0162 179.9121 -179.8893 0.0066 179.9269 0.3293 -0.1681 -179.7657 0.0836 -179.8911 -179.8099 0.2154 0.1371 -179.9514 -179.9694 -0.058 -0.0113 179.9261 179.9628 -0.0997 -0.1283 179.9075 179.9615 -0.0026 179.8902 -0.026 -0.1448 179.939 0.1825 179.7761 -179.7394 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 6 No pseudopotential on this center. 4 6 No pseudopotential on this center. 5 6 No pseudopotential on this center. 6 6 No pseudopotential on this center. 7 1 No pseudopotential on this center. 8 6 No pseudopotential on this center. 9 1 No pseudopotential on this center. 10 1 No pseudopotential on this center. 11 6 No pseudopotential on this center. 12 6 No pseudopotential on this center. 13 1 No pseudopotential on this center. 14 1 No pseudopotential on this center. 15 1 No pseudopotential on this center. 16 7 No pseudopotential on this center. 17 5 No pseudopotential on this center. 18 1 No pseudopotential on this center. 19 17 No pseudopotential on this center. 20 17 No pseudopotential on this center. 20 20 20 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 203.82 AuxInfo=1/0/N:6,11,5,8,1,12,4,2,3,17,19,20,16/E:(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3/rA:20nC3C3C3C3C3C3HC3HHC3C3HHHNBHClCl/rB:s1;s2;s3;s4;s1s5;s1;s4;s5;s6;s8;s11;s8;s11;s12;s3s12;s2;s16;s17;s17;/rC:-.4376,1.9084,.1693;-.4556,.5517,-.0723;.8222,-.0653,-.1085;2.0383,.6471,.0495;1.9752,2.0415,.2885;.754,2.6485,.3572;-1.384,2.4356,.2056;3.2531,-.0598,-.037;2.8953,2.6006,.4127;.6882,3.7139,.5446;3.2714,-1.4182,-.2611;2.0583,-2.0873,-.3779;4.1846,.484,.0786;4.1958,-1.9737,-.3293;1.9837,-3.1571,-.5193;.9178,-1.4192,-.3046;-1.7905,-.2899,-.4328;.0336,-1.934,-.3034;-1.9547,-1.7817,.7939;-3.3412,.7478,-.3354; 0.000000 1.378221 0.000000 2.357957 1.419458 0.000000 2.781250 2.498743 1.418263 0.000000 2.419422 2.873798 2.434253 1.416070 0.000000 1.415182 2.458470 2.754288 2.397817 1.365520 0.000000 1.083947 2.118585 3.349741 3.864625 3.383285 2.153864 0.000000 4.187768 3.758930 2.431916 1.408131 2.480737 3.706139 5.271462 0.000000 3.412675 3.957494 3.417040 2.163828 1.083750 2.142578 4.287462 2.721693 0.000000 2.160536 3.418853 3.837586 3.387203 2.125840 1.083808 2.458198 4.599754 2.475552 0.000000 5.000823 4.219796 2.802148 2.425394 3.735151 4.822592 6.061552 1.376901 4.092166 5.801786 0.000000 4.742884 3.657535 2.385161 2.767713 4.183030 4.966807 5.713758 2.377916 4.827171 6.031787 1.390274 0.000000 4.837521 4.643154 3.412086 2.152648 2.711251 4.065890 5.902025 1.084811 2.500708 4.782695 2.137246 3.367664 0.000000 6.065321 5.299008 3.882253 3.415724 4.629734 5.803633 7.131812 2.153463 4.813109 6.739177 1.080651 2.141036 2.491418 0.000000 5.656516 4.461489 3.328183 3.846905 5.260954 5.998735 6.568499 3.381919 5.903406 7.072545 2.179144 1.081674 4.296440 2.515947 0.000000 3.624207 2.413443 1.371343 2.377091 3.666877 4.124392 4.518680 2.715306 4.536867 5.207940 2.353943 1.323799 3.800092 3.324619 2.049965 0.000000 2.650547 1.618647 2.642317 3.971200 4.487321 3.966368 2.828630 5.064304 5.570093 4.809288 5.188961 4.248206 6.046653 6.219475 4.740544 2.937164 0.000000 3.899998 2.543910 2.037652 3.287238 4.463735 4.685571 4.621969 3.734823 5.409682 5.748639 3.278910 2.031904 4.819108 4.162484 2.311987 1.023225 2.459128 0.000000 4.038426 2.905573 3.386988 4.732612 5.506050 5.210967 4.296257 5.547649 6.547682 6.103184 5.343892 4.191782 6.583024 6.255168 4.373435 3.096741 1.938423 2.276102 0.000000 3.167462 2.904172 4.248132 5.394215 5.507024 4.567563 2.640493 6.650236 6.548757 5.080168 6.958689 6.098723 7.541777 8.013306 6.605756 4.778723 1.868390 4.310720 3.097745 0.000000 1.0071285 0.4686850 0.3347145 -10.41833 -10.41106 -10.39911 -10.39677 -10.39613 -10.39171 -10.38096 -9.66209 -9.65772 -7.40947 -7.40515 -7.40302 -7.40183 -7.39882 -7.39717 -7.07602 -1.21858 -1.06817 -1.03428 -1.00790 -0.98081 -0.97033 -0.94926 -0.86431 -0.84679 -0.82994 -0.75317 -0.73209 -0.71622 -0.68600 -0.65882 -0.64801 -0.64129 -0.62860 -0.60060 -0.58734 -0.57024 -0.55805 -0.54716 -0.53170 -0.52645 -0.51694 -0.49926 -0.47044 -0.46930 -0.45686 -0.43223 -0.41400 -0.13324 -0.10884 -0.05772 -0.02510 -0.00641 0.00498 0.01244 0.02198 0.02479 0.03038 0.03551 0.04214 0.04875 0.04975 0.05723 0.06359 0.06895 0.07448 0.07532 0.08092 0.08745 0.09433 0.09789 0.10147 0.10866 0.11273 0.11682 0.11777 0.12451 0.13108 0.13261 0.13417 0.13824 0.14392 0.14577 0.15255 0.15342 0.15822 0.16248 0.16350 0.16426 0.17284 0.17551 0.17972 0.18417 0.18781 0.19106 0.19367 0.20226 0.20744 0.21442 0.21893 0.22302 0.22954 0.23207 0.23481 0.23675 0.23984 0.24619 0.25354 0.25512 0.26074 0.27056 0.27680 0.27925 0.28303 0.28770 0.29572 0.29952 0.30444 0.31228 0.32258 0.32559 0.33112 0.34652 0.35443 0.36458 0.37292 0.38561 0.39099 0.41433 0.44246 0.45589 0.47725 0.48213 0.49687 0.50008 0.50390 0.51775 0.52382 0.53846 0.53910 0.54644 0.55599 0.55890 0.56034 0.57297 0.57919 0.58090 0.59357 0.60185 0.60279 0.61410 0.61528 0.62344 0.64353 0.64568 0.65509 0.66664 0.66764 0.69756 0.70843 0.72401 0.73455 0.74026 0.75329 0.75851 0.78939 0.79153 0.79437 0.80925 0.82802 0.84842 0.85067 0.86530 0.87203 0.87646 0.88425 0.88957 0.89821 0.90773 0.90917 0.91461 0.91674 0.92240 0.93431 0.94019 0.94752 0.95362 0.96291 0.97179 0.98286 0.99707 1.00354 1.02282 1.03915 1.04770 1.06983 1.07397 1.08424 1.09177 1.10723 1.11731 1.14055 1.14580 1.15968 1.18276 1.18961 1.24193 1.25452 1.27812 1.30548 1.34753 1.37094 1.39403 1.42110 1.46790 1.47331 1.49863 1.50605 1.53747 1.54686 1.55090 1.56454 1.57320 1.58571 1.60515 1.61769 1.64809 1.65745 1.68791 1.70629 1.72903 1.73193 1.74728 1.75290 1.79906 1.81006 1.81393 1.87389 1.89000 1.89237 1.89978 1.90481 1.93759 1.94785 1.96322 1.96680 1.96975 1.97738 2.00500 2.01300 2.06549 2.08315 2.14102 2.15714 2.16943 2.19233 2.20544 2.23898 2.27362 2.29123 2.32139 2.33188 2.35053 2.38443 2.38794 2.39543 2.43705 2.48329 2.48514 2.50036 2.51542 2.53565 2.54734 2.57759 2.61733 2.64257 2.66829 2.68590 2.69390 2.72251 2.73244 2.74750 2.75760 2.76909 2.77055 2.79101 2.79749 2.82361 2.84453 2.85614 2.86472 2.87747 2.91059 2.91616 2.94641 2.95645 3.03600 3.05334 3.09303 3.10618 3.20895 3.26810 3.33385 3.37404 3.37765 3.42642 3.49957 3.52948 3.56010 3.63656 3.67037 3.75206 3.87915 3.90371 4.01984 4.04333 4.08720 4.16275 4.18240 4.50338 4.81187 4.83156 5.24397 9.79592 9.84349 14.33022 23.59697 23.85961 23.95324 23.98820 24.03117 24.06982 24.14361 24.18978 24.23510 25.94627 26.02022 26.08015 26.18677 26.40237 26.59311 35.68785 215.87071 215.93231 49 50 51 52 53 54 55 56 57 58 O|O|O|O|O|V|V|V|V|V -0.47044 -0.46930 -0.45686 -0.43223 -0.41400 -0.13324 -0.10884 -0.05772 -0.02510 -0.00641 -0.00478 0.00229 -0.00287 -0.00032 0.00167 0.00449 0.00236 0.00117 -0.00125 0.00446 -0.00770 0.00370 -0.00467 -0.00051 0.00272 0.00724 0.00378 0.00191 -0.00193 0.00732 -0.01996 0.01873 -0.01765 -0.00643 0.00064 0.00568 -0.00369 0.00492 0.00760 -0.00017 0.01503 0.02205 0.00704 -0.02074 -0.00153 0.03488 0.00094 0.01982 0.00291 -0.00101 0.00398 0.02901 0.00181 0.11136 0.06291 -0.07973 0.05410 -0.09339 -0.06914 0.00581 0.02071 -0.00840 0.01380 0.00133 -0.00792 -0.02149 -0.01099 -0.00633 0.00439 -0.02516 -0.03419 0.02572 -0.02741 -0.01032 0.00025 0.00875 -0.00582 0.00792 0.01137 0.00223 0.02121 0.03355 0.00959 -0.03377 -0.00423 0.05090 -0.00134 0.03030 0.00724 -0.00118 0.00609 0.04459 0.00221 0.18078 0.10137 -0.12675 0.08783 -0.14541 -0.10707 0.00917 0.10794 -0.09339 0.01629 0.00351 -0.01404 -0.01959 -0.01469 0.01779 0.04400 -0.12008 -0.00989 0.00919 -0.00805 -0.00477 0.00577 -0.00561 -0.01602 0.01284 0.03378 -0.07545 0.01029 0.05597 0.03208 -0.02644 -0.00226 0.03441 -0.01435 0.03193 0.00778 0.05941 0.00232 0.04958 0.01161 0.14942 0.08533 -0.17441 0.10989 -0.23798 -0.19454 0.02673 -0.47151 -0.71311 -0.66224 -0.22249 -0.40425 1.29961 1.10131 0.53446 -2.20558 -12.13677 -0.38669 -0.10734 -0.11688 0.02878 -0.04859 -0.21112 -0.13465 -0.19443 0.14816 -2.02493 -0.15567 0.00650 0.11052 0.07792 0.03183 -0.44216 -0.33880 -0.35447 0.50256 0.99814 -0.07031 -0.02776 0.05295 0.01481 0.01217 -0.15671 0.01475 -0.20291 -0.07880 0.05126 0.00044 0.00124 0.00002 0.00218 -0.00699 -0.00397 0.00288 0.00458 -0.00679 0.00352 0.00105 0.00497 -0.00103 0.01170 -0.00683 -0.00274 0.00199 0.01424 -0.00958 0.00195 0.00022 0.00037 -0.00028 0.00326 -0.02018 -0.00494 0.01181 0.01190 -0.02235 0.00360 0.00160 0.00302 0.00025 0.00009 -0.00293 -0.00190 0.00133 0.00168 -0.00199 0.00303 0.00198 0.00968 -0.00110 -0.00235 0.00701 0.00953 0.00297 -0.00269 0.00010 -0.00197 -0.00636 -0.01186 -0.00274 0.00055 -0.00589 -0.01281 -0.00598 -0.00038 0.00151 -0.00017 -0.01009 -0.01916 -0.00436 0.00088 -0.00964 -0.02116 -0.00983 -0.00060 0.00260 -0.00025 -0.04085 -0.06572 -0.00744 -0.00031 -0.03271 -0.03923 -0.01174 -0.00140 -0.00062 0.00151 -0.01908 -0.04078 -0.00740 -0.00191 -0.03971 -0.03408 -0.00352 0.00264 -0.01887 -0.00060 -0.00749 -0.00916 -0.00454 0.01914 0.12894 0.02500 -0.05452 -0.02492 0.12046 -0.02343 0.02272 0.05173 0.01177 -0.00199 0.02857 0.06657 0.03002 -0.00010 -0.01050 -0.00150 -0.06194 -0.09803 -0.01124 -0.00061 -0.04919 -0.05911 -0.01778 -0.00129 -0.00050 0.00157 -0.01904 -0.06330 -0.00900 -0.00312 -0.06263 -0.05091 -0.00480 0.00526 -0.02705 -0.00384 -0.01117 -0.00925 -0.00716 0.02929 0.21029 0.03925 -0.08539 -0.03940 0.18942 -0.03507 0.16612 0.13709 0.03549 -0.02005 0.03371 0.04383 0.03314 0.02832 0.02252 0.07179 0.01101 -0.05973 -0.02530 -0.00802 -0.06404 -0.05787 -0.01583 0.00085 -0.02510 0.08102 -0.11629 0.03128 0.01097 0.00191 -0.04442 -0.07037 -0.00762 -0.03382 -0.09429 0.08658 -0.01799 -0.00546 -0.00745 0.03876 0.19820 0.07309 -0.12050 -0.07486 0.32939 -0.05223 -0.04806 0.01137 -0.44695 -0.09922 -0.00083 -0.93032 -0.46208 0.22386 0.21543 -5.02835 0.20465 -0.19916 -0.28980 -0.11436 -0.15019 0.04742 0.11020 0.47223 -0.63477 -2.15791 -0.17999 0.16293 0.19031 0.14005 0.07376 -1.05551 -0.78854 -0.31256 0.63575 3.00473 0.01743 0.03074 -0.03748 0.01987 0.00453 -0.12109 -0.22555 -0.14015 0.41336 0.42978 0.00179 0.00207 0.00081 0.00466 0.00159 -0.00790 0.00021 -0.00563 -0.00409 0.00414 0.00195 0.00372 -0.00177 -0.01021 0.00578 -0.01179 -0.01510 0.01851 -0.01121 -0.00021 0.00028 0.00473 0.00035 0.01792 0.00474 -0.01857 0.00454 -0.02400 -0.00652 -0.00193 0.00001 0.00001 0.00047 0.00353 0.00184 0.00667 0.00712 -0.00268 -0.00773 -0.00071 -0.00030 0.00610 -0.00297 0.00027 -0.00041 -0.00173 -0.00085 -0.00217 0.00587 -0.00137 0.00343 0.00259 0.00017 0.00013 0.00069 -0.00271 -0.00223 -0.00064 0.00284 0.00535 0.00545 0.00422 0.00022 0.00024 0.00114 -0.00444 -0.00370 -0.00109 0.00472 0.00897 0.02565 0.03314 0.00024 0.00468 0.00620 -0.00222 -0.00042 -0.00735 0.00944 -0.00717 0.00159 -0.00104 -0.00313 0.01749 -0.00619 0.00409 0.01051 -0.01950 0.00718 -0.00574 0.00641 0.02161 -0.01467 -0.11480 0.04460 -0.02822 -0.07718 0.13598 -0.07733 0.01423 -0.01346 -0.01465 0.00133 -0.00130 -0.00421 0.01555 0.01390 0.00542 -0.01728 -0.03455 0.03564 0.04888 0.00066 0.00830 0.00906 -0.00204 0.00061 -0.01175 0.01337 -0.01474 0.00379 -0.00166 -0.00356 0.02893 -0.01038 0.00453 0.01520 -0.03139 0.01275 -0.01193 0.01088 0.03589 -0.02472 -0.19083 0.07340 -0.04618 -0.12403 0.21616 -0.12090 0.02358 -0.07831 -0.00091 -0.03203 0.00680 0.02238 0.02987 -0.00363 -0.02052 -0.03319 -0.08019 0.15283 -0.02108 -0.02268 -0.00776 -0.01707 -0.03304 -0.02071 0.01154 0.04800 0.03242 -0.03447 -0.08674 0.00585 0.02953 -0.01402 -0.00863 0.01686 -0.03814 0.04525 -0.07043 0.00406 0.01422 -0.01626 -0.16936 0.07229 -0.06726 -0.18059 0.37569 -0.22270 0.03093 -0.51439 1.01840 0.95476 0.49960 0.64689 -0.57678 -1.03780 -1.25775 3.30480 22.09184 -0.11129 0.00259 -0.30946 -0.04759 0.04849 0.20173 0.13590 0.29186 -0.14966 -1.19028 0.10365 -0.14792 0.17174 -0.00457 0.06767 0.17750 0.13865 -0.09198 0.79754 4.71925 -0.01214 -0.07702 0.04541 0.00242 0.00611 -0.00598 -0.02549 0.33056 0.01839 0.61318 0.00074 -0.00244 0.00104 -0.00063 0.00142 0.00101 -0.00552 -0.00522 -0.00463 0.00526 0.00154 0.00116 -0.00011 -0.01324 -0.01686 -0.00599 0.00320 -0.01403 -0.03151 0.00491 -0.00154 -0.00545 0.00122 0.00089 0.01215 0.00604 -0.02351 -0.01650 -0.00828 -0.00114 0.00442 0.00683 0.00240 0.00006 0.00654 0.00579 -0.00282 -0.00308 0.00169 0.00135 0.00652 0.00781 -0.00093 0.00210 0.00609 0.00565 0.00065 0.00373 0.00280 -0.00455 -0.00233 -0.00162 -0.00019 0.00008 -0.00148 -0.00102 0.00034 -0.00005 0.00058 0.00595 -0.00374 -0.00247 -0.00033 0.00013 -0.00236 -0.00164 0.00053 -0.00009 0.00102 0.01012 -0.02023 -0.02629 0.00234 0.00332 -0.00713 -0.00501 0.00143 0.00381 0.00254 0.00094 -0.01014 -0.01411 0.00217 0.01932 0.00041 -0.00479 0.00440 0.01993 0.01458 0.00066 -0.00178 -0.01591 -0.00070 -0.11041 -0.03320 0.00479 -0.02572 -0.12086 -0.08161 0.01470 0.01168 0.00427 0.00147 -0.00046 0.00697 0.00506 -0.00184 0.00078 -0.00499 -0.04644 -0.02846 -0.03711 0.00245 0.00523 -0.00984 -0.00643 0.00226 0.00631 0.00398 0.00120 -0.01445 -0.01778 0.00339 0.03217 0.00260 -0.00614 0.00714 0.03091 0.02347 0.00424 -0.00248 -0.02568 -0.00146 -0.18322 -0.05350 0.00988 -0.03936 -0.18968 -0.12822 0.02369 -0.05828 0.08159 0.01117 0.00633 0.01906 0.03835 0.02476 -0.02334 -0.01117 0.07668 -0.02438 -0.08530 -0.00015 0.00640 -0.00994 -0.02329 -0.01144 0.02014 0.03679 0.02227 0.03627 -0.03324 -0.00805 0.02105 -0.01192 -0.02537 -0.00645 0.05809 0.03880 0.05127 0.00731 -0.02527 -0.00327 -0.15704 -0.05837 0.00254 -0.06813 -0.33144 -0.23411 0.05301 -0.31349 -0.03021 0.23791 0.08839 0.02040 0.61469 0.23834 -0.15831 0.57490 6.26189 -0.10904 -0.03418 0.05470 0.00673 0.09650 -0.10951 -0.16446 0.14516 1.40868 8.66029 -0.25835 0.25413 0.37695 0.20304 0.11794 0.13105 -0.15756 -0.37290 0.93600 8.84345 -0.03350 0.08569 0.03744 0.03322 0.04771 0.01604 -0.09424 -0.32308 -0.25296 1.93040 0.00073 0.00055 0.00011 0.00388 -0.00580 0.00485 -0.00261 -0.00349 0.00799 0.00155 -0.00113 -0.00580 0.00240 0.00716 0.00257 -0.00259 0.02729 -0.02002 0.01904 -0.00447 0.00056 0.00382 -0.00004 0.01138 -0.02003 0.01576 -0.01212 -0.00825 0.02164 -0.00489 0.00044 0.00056 -0.00110 0.00135 -0.00392 0.00221 -0.00335 0.00017 0.00106 -0.00541 0.00186 0.00512 -0.00101 -0.00140 0.00071 -0.00014 -0.00389 0.00318 -0.00336 -0.00359 -0.00156 0.00004 -0.00175 -0.00023 -0.00004 -0.00047 -0.00072 0.00047 0.00011 0.00424 -0.00248 0.00009 -0.00283 -0.00037 -0.00004 -0.00076 -0.00118 0.00079 0.00021 0.00693 -0.00599 0.00976 -0.00786 -0.00109 0.00467 -0.00278 0.00069 0.00041 -0.00307 -0.01181 0.00659 0.00665 -0.00085 -0.00448 0.02445 -0.01317 0.00895 0.00047 -0.02344 -0.00919 0.00513 0.01493 -0.00162 0.02396 -0.12863 0.08001 -0.05401 0.00387 0.11529 -0.02530 0.00673 -0.00031 0.00909 0.00128 -0.00001 0.00298 0.00428 -0.00324 -0.00171 -0.02056 -0.00940 0.01425 -0.01141 -0.00174 0.00733 -0.00446 0.00125 0.00083 -0.00479 -0.01378 0.01060 0.01050 -0.00137 -0.00729 0.03908 -0.02160 0.01405 0.00061 -0.03545 -0.01276 0.00829 0.02346 -0.00274 0.03807 -0.20838 0.12725 -0.08598 0.00648 0.17907 -0.03886 -0.00397 -0.02272 0.00203 0.00383 0.00982 0.01136 0.00919 0.01142 0.01385 -0.16471 -0.01342 0.04692 -0.00591 -0.00158 0.01032 0.00407 0.01028 -0.01154 -0.02858 -0.04926 0.00413 0.00299 -0.00605 -0.00686 0.03066 -0.02227 0.01899 -0.00362 -0.06531 0.05044 0.00498 0.02139 -0.00174 0.03761 -0.18273 0.16630 -0.10905 0.01077 0.32951 -0.06255 0.80700 -0.37815 -0.93232 -0.42885 -0.35703 -0.65607 0.08788 1.31673 -2.36718 -19.73113 -0.12615 -0.06108 0.11608 0.03760 0.00271 0.09969 0.04128 -0.22391 -0.02450 -0.41317 0.05445 0.20080 0.11309 0.05884 0.10156 0.18237 0.01229 -0.07977 0.28778 3.53277 -0.00254 0.01114 0.04180 0.00338 -0.00182 0.09997 -0.01549 0.00037 0.47503 0.46588 0.00023 0.00063 0.00036 0.00448 0.00070 -0.00023 0.00221 0.00643 0.00317 0.00405 -0.00028 -0.00247 -0.00006 -0.01383 0.01075 0.00294 -0.00083 -0.01706 0.01062 -0.00280 -0.00004 0.00171 0.00011 0.01670 0.00028 -0.00255 0.00634 0.02425 0.00739 -0.00265 0.00063 0.00430 -0.00035 0.00348 0.00052 0.00088 0.00181 0.00509 0.00143 0.00409 0.00207 0.00643 -0.00124 0.00194 -0.00038 0.00081 -0.00002 0.00254 -0.00257 0.00264 0.00146 -0.00290 0.00102 -0.00009 -0.00131 -0.00353 -0.00182 -0.00043 0.00144 0.00293 0.00227 -0.00458 0.00159 -0.00016 -0.00210 -0.00573 -0.00297 -0.00071 0.00235 0.00477 0.00482 -0.02445 0.00847 -0.00359 -0.00327 -0.00984 -0.00560 -0.00521 0.00424 -0.00029 -0.00725 -0.02564 -0.00061 -0.02034 0.00975 -0.00370 -0.01037 -0.01974 0.00879 -0.01064 0.00358 0.02109 -0.00015 0.11375 -0.08630 -0.02339 0.03930 0.10503 -0.04920 0.01467 -0.00412 0.01286 -0.00334 0.00054 0.00647 0.01778 0.00948 0.00215 -0.00661 -0.01563 0.00749 -0.03413 0.01167 -0.00589 -0.00345 -0.01324 -0.00800 -0.00795 0.00625 -0.00142 -0.01082 -0.03804 -0.00115 -0.03306 0.01710 -0.00407 -0.01648 -0.03085 0.01407 -0.01696 0.00586 0.03477 -0.00005 0.18464 -0.13896 -0.03711 0.06568 0.16410 -0.07521 0.02306 -0.04093 0.04777 -0.02461 -0.00265 0.00306 0.03943 0.02377 -0.00385 -0.04905 -0.04239 0.01159 -0.00949 0.02122 -0.00446 -0.00203 -0.02811 -0.01602 -0.01833 0.01076 -0.01237 0.00938 -0.05756 0.00001 -0.02717 0.01267 -0.01230 -0.02366 -0.03872 0.03758 -0.07806 0.00914 0.02162 -0.00162 0.15484 -0.12261 -0.04939 0.07353 0.26671 -0.14501 0.03218 0.34171 0.33641 0.68921 0.09683 0.29561 0.68763 0.26911 -0.35415 0.90568 9.36245 -0.32894 -0.14601 0.00560 0.03516 -0.03871 -0.14173 -0.07956 -0.26202 0.12596 -0.55932 -0.10727 -0.13613 -0.18914 -0.03405 -0.09632 -0.17858 -0.06455 0.12103 -0.33334 -2.95012 -0.02048 -0.00858 -0.05761 0.01207 -0.02823 -0.05409 0.00531 0.18583 -0.21909 -0.47087 0.00023 -0.00087 0.00022 -0.00371 0.00056 0.00206 0.00001 0.00291 0.00198 0.00316 0.00002 -0.00004 -0.00047 -0.00753 -0.01889 0.01876 -0.01348 0.01163 0.02598 -0.00506 -0.00146 -0.00326 -0.00035 -0.00905 0.00441 0.00001 0.00193 0.00603 -0.00039 0.00033 0.00399 0.00360 0.00201 -0.00119 0.00267 0.00218 0.00246 0.00071 -0.00299 -0.00324 -0.00143 0.00216 -0.00169 0.00168 0.00306 -0.00495 0.00122 -0.00243 -0.00379 -0.00159 0.01511 -0.01245 0.01293 -0.00006 -0.00447 -0.00549 -0.00202 0.00067 0.00085 0.00110 0.01835 -0.02055 0.01827 0.00063 -0.00583 -0.01317 -0.00482 0.00169 -0.00033 -0.01687 -0.02396 -0.02249 -0.01158 0.00255 -0.00674 -0.02066 -0.01146 -0.00734 0.06138 -0.00321 -0.23522 -0.00823 -0.09769 0.00206 -0.00529 -0.06564 -0.04195 -0.00245 0.20969 -0.25457 0.00448 0.00086 0.00294 -0.00060 0.00042 0.00265 0.00081 0.00082 -0.00139 -0.00263 0.00139 0.00169 -0.00027 -0.00168 -0.00040 0.00201 -0.00089 0.00215 0.00200 0.00120 0.00065 0.00221 0.00097 0.00851 0.00486 -0.00752 0.00597 -0.01049 -0.00771 0.00072 0.00110 0.00202 0.00023 0.00030 0.00060 0.00037 -0.00018 -0.00097 0.00197 0.01048 0.00178 0.00327 0.00035 0.00049 0.00098 0.00058 -0.00032 -0.00161 0.00327 0.01733 0.01198 0.01700 -0.00055 0.00098 0.00165 0.00246 -0.00341 -0.00068 -0.00061 -0.02001 0.00317 0.00868 -0.00209 0.00408 -0.01036 0.00807 -0.02487 0.00168 -0.00974 -0.00637 -0.00800 -0.04706 0.01318 -0.02188 0.05998 -0.05017 0.14245 -0.01511 0.05294 -0.00858 -0.00594 -0.01050 -0.00079 -0.00171 -0.00307 -0.00117 0.00178 0.00583 -0.01130 -0.06054 0.01697 0.02576 -0.00084 0.00174 0.00241 0.00354 -0.00582 -0.00130 -0.00016 -0.02245 0.00543 0.01442 -0.00356 0.00644 -0.01677 0.01306 -0.03919 0.00270 -0.01416 -0.00597 -0.01293 -0.07646 0.02142 -0.03496 0.09761 -0.08067 0.22674 -0.02417 0.08239 -0.01230 0.03955 0.00067 -0.00512 -0.00722 -0.00874 -0.01713 -0.01161 0.00363 -0.03191 -0.15076 -0.00675 0.01994 0.00066 0.00352 0.00680 0.01793 0.00315 0.00349 0.00029 -0.08366 0.00369 0.03355 -0.00402 0.00651 -0.01215 0.02829 -0.04528 0.00687 -0.05056 -0.10781 -0.01158 -0.05769 0.01719 -0.03171 0.08822 -0.09773 0.31840 -0.03443 0.15660 -0.04576 0.18900 -0.24970 0.83713 0.12926 -0.21624 -0.20948 -0.15658 -0.55542 -0.61513 -2.36034 -0.11707 -0.09552 -0.05108 -0.01125 0.00864 0.06221 0.03067 0.13783 0.12963 0.21296 0.15057 0.20542 -0.28827 -0.04791 0.03982 0.06118 0.08040 0.09369 -0.78950 -6.04777 0.01908 0.01873 -0.04145 -0.01356 -0.00632 -0.01857 0.16541 -0.01200 0.17789 -1.10997 0.00046 0.00122 -0.00066 -0.00407 -0.00370 0.00032 0.00121 -0.00758 0.00004 0.00344 0.00065 0.00292 -0.00025 0.01170 0.00164 0.00069 0.00243 0.01633 0.01510 -0.00138 0.00098 0.00450 -0.00192 -0.01528 -0.01247 0.00104 0.00375 -0.02886 -0.00228 -0.00089 0.00244 0.00362 -0.00043 -0.00301 -0.00125 0.00089 0.00068 -0.00553 -0.00034 0.00040 0.00261 0.00363 -0.00089 -0.00164 0.00093 0.00071 -0.00041 -0.00255 -0.00156 0.00952 0.00178 0.01559 -0.00530 -0.00021 0.00277 0.00197 -0.00007 0.00115 -0.00114 -0.00362 0.00604 0.02046 -0.00811 -0.00047 0.00356 0.00104 -0.00235 0.00382 -0.00093 -0.01423 0.00667 0.00418 -0.00230 -0.00063 0.00341 -0.00137 -0.00186 0.00732 0.01829 0.19053 -0.00651 -0.01047 -0.02111 -0.00907 -0.00709 -0.04923 -0.01265 0.04983 0.06163 0.87489 -0.00029 -0.00026 -0.00006 -0.00003 0.00033 0.00005 0.00022 0.00001 -0.00008 0.00575 0.00021 -0.00020 0.00037 -0.00031 0.00190 -0.00137 0.00072 0.00002 -0.00289 0.00152 0.00036 0.00080 -0.00006 0.00178 -0.01025 0.00793 -0.00456 0.00006 0.01567 -0.00297 -0.00934 -0.01682 -0.00296 -0.00002 -0.00412 -0.00642 -0.00299 -0.00079 0.00214 0.00020 -0.01591 -0.02250 -0.00302 0.00020 -0.00643 -0.01354 -0.00668 -0.00351 0.00487 0.00856 -0.01111 -0.00015 0.00042 0.00001 -0.00229 -0.00406 -0.00196 -0.00631 0.01344 0.11137 0.06997 0.03235 0.06472 0.00322 0.02288 0.07323 0.03616 -0.04451 0.10050 0.99320 -0.00017 -0.00170 0.00021 -0.00030 -0.00017 -0.00060 -0.00050 -0.00050 0.00040 0.00005 0.00023 0.00040 -0.00023 -0.00163 0.00131 -0.00002 -0.00117 -0.00202 0.00162 0.00148 0.00034 0.00208 0.00006 0.00888 -0.00678 -0.00232 0.00464 0.01186 -0.00527 0.00222 -0.00003 -0.00014 0.00122 0.00006 -0.00003 -0.00081 -0.00026 -0.00006 0.00185 0.01044 -0.00005 -0.00021 0.00193 0.00011 -0.00003 -0.00132 -0.00042 -0.00009 0.00305 0.01706 -0.00767 -0.00894 0.00721 -0.00152 -0.00321 -0.00305 0.00048 -0.00193 -0.00034 -0.02271 -0.00336 0.00153 -0.00098 -0.01338 -0.01362 -0.00359 0.00713 -0.01951 0.00093 0.01395 -0.01157 -0.04606 0.01632 0.08047 0.07535 0.00865 -0.04320 0.12354 0.00859 0.00166 0.00016 0.00027 -0.00539 -0.00044 -0.00001 0.00398 0.00097 0.00052 -0.01081 -0.05496 -0.00988 -0.01171 0.00951 -0.00255 -0.00434 -0.00490 0.00053 -0.00313 -0.00033 -0.03133 -0.00402 0.00428 -0.00240 -0.02205 -0.02137 -0.00541 0.01158 -0.03023 -0.00057 0.01520 -0.01853 -0.07474 0.02646 0.13200 0.12165 0.01549 -0.06801 0.19379 0.01834 -0.00018 -0.02252 -0.00103 0.00746 0.00320 -0.00034 0.02497 0.02213 0.00964 -0.02362 -0.26008 0.00832 -0.01102 0.00790 -0.00581 -0.00518 -0.01841 -0.01047 -0.00676 -0.00933 -0.07401 -0.00649 0.02169 -0.00771 -0.01596 -0.01730 0.00208 0.02052 -0.05461 -0.00322 0.02955 -0.01529 -0.05859 0.02192 0.11184 0.11443 0.01505 -0.09876 0.32798 0.00331 0.00902 -0.34592 0.35805 -0.57229 0.07320 0.10622 0.34095 0.08604 0.31561 -1.78074 -8.53014 0.16957 0.02865 -0.00990 -0.04592 -0.00062 -0.07984 0.00924 -0.03630 0.06926 -1.90676 0.05500 0.24191 -0.26119 -0.02730 0.06535 0.02513 0.05584 -0.04616 -0.14888 -1.06409 0.01497 0.04532 -0.04950 0.00327 0.02841 0.00847 -0.03367 0.24005 -0.06992 -0.17416 -0.00023 -0.00160 0.00029 -0.00229 0.00225 -0.00320 0.00830 0.00176 0.00360 0.00349 0.00103 0.00243 -0.00099 -0.01140 -0.00178 -0.00541 0.01428 0.01270 0.00963 -0.00321 -0.00080 -0.00515 0.00121 -0.00757 0.00772 -0.01081 0.02836 0.00593 0.01111 -0.00401 0.00002 -0.00084 0.00073 -0.00066 0.00136 -0.00196 0.00375 -0.00007 0.00335 0.00697 0.00191 0.00265 -0.00065 0.00184 0.00046 0.00138 -0.00269 -0.00173 -0.00287 -0.00988 0.00023 0.00035 -0.00110 0.00019 0.00016 0.00039 0.00023 -0.00061 0.00170 0.01223 0.00035 0.00058 -0.00177 0.00031 0.00028 0.00061 0.00038 -0.00102 0.00280 0.02013 0.00941 0.01152 -0.00897 -0.00097 0.00194 0.00161 0.00209 0.00215 -0.00109 -0.00282 0.00309 0.00351 0.00023 -0.01391 0.00217 -0.00750 0.01518 0.01383 0.01507 0.03151 -0.00339 -0.00299 0.00367 0.10599 -0.00596 0.05184 -0.12074 -0.10917 -0.05255 0.01308 -0.00119 -0.00221 0.00473 -0.00073 -0.00099 -0.00070 -0.00152 0.00366 -0.00950 -0.06820 0.01100 0.01672 -0.01363 -0.00154 0.00305 0.00415 0.00456 0.00304 -0.00152 -0.00260 0.00628 0.00489 -0.00027 -0.02339 0.00295 -0.01361 0.02341 0.02301 0.02221 0.04580 -0.00570 -0.00588 0.00707 0.17532 -0.00926 0.08589 -0.19433 -0.17650 -0.08058 0.01992 0.05195 -0.02072 0.01403 -0.01151 -0.00571 -0.05059 -0.02943 0.01835 -0.02564 -0.23523 0.01055 0.03521 -0.02663 -0.00006 0.00553 0.00338 0.00351 -0.00366 -0.01909 0.00554 0.02937 0.01148 -0.01034 -0.02520 0.00735 -0.02751 0.02545 0.03280 0.04811 0.09435 -0.00207 -0.00225 0.00135 0.14961 -0.00487 0.10034 -0.28504 -0.28288 -0.16302 0.04000 0.59041 -0.17519 0.12872 -0.13469 -0.02788 -0.19922 0.12342 -0.04398 0.66722 -0.32435 0.08376 0.22015 -0.16894 -0.03993 0.06103 -0.03587 0.01875 -0.08188 0.21356 0.11412 0.15092 -0.09137 0.09039 -0.02789 -0.00983 -0.01345 0.06035 0.00882 0.60447 2.38803 0.01689 -0.02093 0.01973 0.00091 -0.00605 0.03330 -0.11960 -0.20781 -0.00470 0.30745 -0.00025 -0.00024 -0.00023 0.00184 0.00053 -0.00074 0.00048 0.00238 0.00105 0.00431 -0.00150 -0.00954 0.00272 0.00480 0.01862 0.00499 -0.02094 0.02482 -0.00877 0.00147 -0.00065 -0.00034 0.00037 0.00654 -0.00027 -0.00334 0.00535 0.00711 0.00330 0.00077 0.00230 0.00249 -0.00211 0.00104 0.00110 0.00219 0.00154 0.00178 -0.00400 -0.01271 0.00165 0.00361 -0.00270 -0.00096 -0.00197 0.00070 0.00334 -0.00408 0.00088 0.00280 0.01050 0.01328 -0.00098 0.00015 0.00260 0.00164 0.00008 -0.00148 0.00132 0.00298 0.01681 0.01837 -0.00137 0.00009 0.00369 0.00043 -0.00193 -0.00393 0.00419 0.00483 0.01178 0.00542 -0.00206 -0.00047 0.00007 -0.00333 -0.00501 -0.00808 0.02969 0.38878 0.01485 0.00803 0.03758 0.00793 -0.00296 -0.00896 -0.02078 -0.05017 0.16443 2.33561 -0.00016 0.00010 -0.00009 0.00004 -0.00002 0.00038 -0.00032 -0.00010 0.00042 0.00710 -0.00051 0.00030 -0.00028 0.00028 -0.00071 0.00088 -0.00251 0.00016 -0.00125 0.00488 -0.00072 -0.00359 0.00099 -0.00153 0.00428 -0.00458 0.01484 -0.00176 0.00928 -0.00059 -0.00426 -0.00597 0.00433 0.00041 -0.00068 -0.00126 -0.00079 -0.00027 0.00191 0.00488 -0.00947 -0.00675 0.00532 0.00146 -0.00084 -0.00062 -0.00064 -0.00152 0.00361 0.00031 -0.00690 0.00037 -0.00030 0.00184 0.00065 0.00501 0.00487 -0.00401 0.03854 0.42904 -0.03095 0.01814 -0.02207 0.00697 0.00667 0.01834 0.00770 -0.00836 0.06780 2.12841 0.00002 -0.00028 0.00002 -0.00020 -0.00020 -0.00034 -0.00000 -0.00042 0.00113 0.00856 -0.00060 -0.00017 0.00020 -0.00100 -0.00110 -0.00023 0.00082 -0.00223 -0.00054 -0.00479 -0.00094 -0.00361 0.00131 0.00644 0.00600 0.00115 -0.00483 0.01436 0.00173 -0.00088 -0.00460 -0.00528 0.00301 -0.00040 -0.00246 -0.00244 0.00012 -0.00132 0.00170 0.00332 -0.00606 -0.00375 0.00011 -0.00101 -0.00252 -0.00475 -0.00066 -0.00587 -0.00031 -0.00098 0.00905 -0.01304 0.01013 -0.00248 -0.00258 -0.01574 -0.00565 -0.00428 0.10231 0.45355 0.05014 -0.02126 0.01208 -0.00239 -0.00037 0.02380 0.02239 -0.02026 0.48389 2.66661 0.00058 0.00034 -0.00045 -0.00013 0.00009 0.00002 0.00024 0.00067 -0.00065 -0.00235 -0.00004 -0.00001 -0.00037 -0.00110 0.00012 -0.00037 0.00173 0.00200 -0.00175 -0.01154 -0.00030 -0.00041 0.00036 0.00825 -0.00050 0.00588 -0.01298 -0.01301 -0.00706 -0.00067 -0.00104 -0.00077 0.00492 -0.00026 -0.00033 -0.00190 -0.00023 -0.00148 0.00488 0.00895 -0.00169 -0.00128 0.00795 -0.00041 -0.00054 -0.00318 -0.00042 -0.00244 0.00810 0.01461 -0.01516 -0.01785 0.02255 0.00003 -0.00346 -0.00903 -0.00351 -0.00207 0.01008 0.01136 -0.01417 -0.02163 0.01148 0.00021 0.00507 -0.00473 -0.01904 0.00009 -0.00293 0.01097 0.00547 0.04377 -0.01310 0.00016 -0.08319 -0.03698 0.12492 -0.00704 0.07252 -0.00917 0.00500 0.00396 -0.02322 0.00116 0.00117 0.01061 0.00278 0.00810 -0.02678 -0.04481 -0.01965 -0.02666 0.03325 -0.00021 -0.00513 -0.01486 -0.00622 -0.00260 0.01718 0.01612 -0.01902 -0.03077 0.01576 0.00027 0.00881 -0.00508 -0.02775 0.00017 -0.00456 0.01673 0.00917 0.07156 -0.02177 0.00026 -0.12850 -0.05816 0.18743 -0.01016 0.10940 -0.01222 -0.00127 -0.00999 -0.05184 0.00468 0.00408 0.02214 0.00055 0.02163 -0.06287 -0.18081 -0.06092 -0.01333 0.04088 0.00642 -0.00413 0.00372 0.01396 -0.01487 0.01237 0.05192 -0.02839 -0.05717 0.03776 0.00039 0.00597 -0.02183 -0.04432 0.00521 0.00414 0.00803 0.00799 0.05631 -0.01718 -0.00053 -0.13920 -0.06888 0.27121 -0.01543 0.17591 -0.03292 -0.03907 -0.07360 -0.18531 -0.01325 -0.00046 0.00003 0.05722 0.07593 -0.01373 0.50478 -0.10405 0.04104 0.08231 0.01949 0.00331 0.07118 -0.01150 -0.06916 -0.02166 -0.05593 -0.03500 -0.15202 0.11765 0.00888 -0.04095 -0.07099 -0.05670 0.04606 0.02292 0.12064 0.00133 -0.00531 0.01680 -0.00819 -0.02900 -0.01682 0.19895 -0.03100 0.16449 0.02775 0.00021 -0.00017 -0.00063 -0.00361 0.00041 -0.00220 -0.00048 0.00566 -0.00182 0.00263 -0.00010 0.00093 0.00015 0.00937 -0.00192 0.00275 -0.01090 -0.01371 -0.00746 0.00185 0.00051 0.00177 -0.00118 -0.01553 0.00444 -0.00550 -0.00032 0.02346 -0.00569 0.00028 0.00030 0.00061 -0.00057 -0.00226 0.00057 -0.00262 -0.00109 0.00311 0.00109 0.00436 0.00246 0.00346 -0.00023 -0.00068 0.00079 -0.00027 0.00189 0.00053 0.00291 0.00404 -0.00558 -0.01042 0.00057 0.00043 0.00104 0.03906 0.02116 0.00308 -0.02515 0.01412 -0.00847 -0.01627 0.00100 0.00066 0.00168 0.06293 0.03414 0.00501 -0.04107 0.02396 0.02950 0.05535 -0.00680 -0.00213 0.00634 0.00073 0.00245 0.00231 -0.02249 0.00424 0.00524 0.02384 0.01692 -0.00161 0.01362 0.07395 0.04524 0.01806 -0.07216 0.01888 -0.01576 -0.01114 -0.00247 0.00162 0.02149 0.16134 0.06686 -0.00586 0.00431 0.01811 0.02065 0.05050 -0.00117 -0.00232 -0.00256 -0.17550 -0.09210 -0.01007 0.11121 -0.08499 0.04222 0.08865 -0.01277 -0.00317 0.00864 0.00246 0.00477 0.00193 -0.03404 0.01883 0.00211 0.03667 0.03376 -0.00191 0.02385 0.12039 0.07349 0.02638 -0.11774 0.04236 -0.02925 -0.02196 -0.00864 0.00321 0.03095 0.27077 0.10739 -0.01049 0.00599 0.02884 -0.00042 0.04134 -0.03390 0.00917 -0.03504 -0.43787 -0.29303 -0.09990 0.40014 0.01142 -0.05728 0.02742 -0.01542 0.01093 0.00091 -0.04446 -0.05802 -0.04078 -0.12088 0.03947 0.02893 -0.03006 -0.02382 -0.00316 -0.00781 0.20548 0.13645 0.09639 -0.27108 0.06462 -0.03111 -0.00632 0.01515 -0.00460 0.01277 0.30977 0.16441 -0.04301 0.02406 0.04915 0.10589 -0.14376 -0.03723 0.03120 -0.07820 -0.31595 -0.22488 -0.11398 0.59027 0.83066 -0.11578 -0.11292 -0.01615 0.00931 -0.03901 -0.10581 -0.09216 0.02597 -0.11553 0.34504 0.07280 -0.03536 -0.03553 -0.00568 -0.02268 0.06819 0.06039 0.04544 -0.15229 -0.01894 0.00672 0.00841 0.02103 0.00177 -0.00946 0.01336 0.04171 -0.06450 0.05290 -0.07721 0.01061 -0.01291 -0.00934 0.00119 -0.00013 -0.00414 -0.00374 -0.00295 0.01087 0.00233 0.01389 -0.01419 -0.00288 0.00234 0.01816 0.01014 -0.00391 0.00059 0.02014 -0.00637 -0.00827 0.01830 0.01938 0.00112 0.01226 -0.00150 -0.00696 -0.00908 0.02363 -0.00042 0.02932 0.00923 0.02469 0.00001 0.00366 0.00258 0.00007 -0.00521 0.00613 0.00201 0.01758 0.03011 -0.00945 -0.00178 -0.00072 0.00307 0.00550 0.00289 -0.00512 0.00375 0.00872 0.01478 -0.00717 0.00069 0.00016 0.00166 0.00714 -0.00283 0.00817 0.01145 -0.00379 0.01636 0.00167 0.00229 0.00112 0.00656 0.01945 -0.00673 0.02151 0.03032 -0.06066 -0.02516 0.14283 0.01446 -0.01078 -0.02703 -0.03470 -0.04743 0.08980 0.17182 -0.01927 0.14169 0.01755 -0.03956 0.05624 0.04508 0.04481 -0.07559 0.43425 0.76285 0.00527 0.00612 -0.00747 0.00026 -0.00006 0.00300 0.00350 0.00000 -0.00122 -0.00299 0.00099 0.00015 -0.00162 -0.00027 0.00042 -0.00113 -0.00172 0.00160 -0.00178 -0.00516 -0.00092 -0.00136 0.00371 0.00019 -0.00793 0.00036 0.01732 -0.00022 0.00809 -0.00275 0.00025 -0.00004 -0.00101 0.00011 -0.00039 0.00169 0.00154 0.00082 -0.00605 -0.00063 0.00072 -0.00011 -0.00289 0.00031 -0.00112 0.00487 0.00447 0.00241 -0.01748 -0.00178 -0.00145 0.00021 0.00575 -0.00060 0.00230 -0.01019 -0.00942 -0.00538 0.03680 0.00328 -0.00305 0.00037 0.01231 -0.00139 0.00443 -0.01893 -0.01709 -0.00808 0.06842 0.00896 0.00532 -0.00072 -0.02577 0.00270 -0.00818 0.03272 0.02822 0.00981 -0.11908 -0.02241 0.01498 -0.00400 -0.01401 0.00223 -0.00766 0.04618 0.04995 0.04840 -0.21009 0.00924 -0.02087 -0.06294 -0.02431 0.00104 -0.00166 0.01703 0.00387 0.25313 -0.64401 0.03720 0.01730 0.04605 -0.05902 0.00876 0.01158 -0.01349 -0.00810 -0.01062 -0.06648 -0.03857 -0.03910 0.01977 0.03595 -0.00431 0.01748 -0.01603 -0.00621 0.04858 -0.14823 0.07474 -0.03213 0.03002 0.00559 -0.00415 0.01066 -0.00991 -0.00431 -0.02796 0.14044 0.02578 0.02600 0.14860 -0.11726 -0.00262 0.02592 0.00084 0.00142 -0.00013 0.01523 0.00730 -0.05623 0.08830 0.08574 -0.00189 0.04445 0.01060 -0.00902 -0.00655 0.03608 -0.01543 -0.09896 0.04952 0.00155 -0.00187 0.01776 0.06360 0.03629 0.00933 -0.04184 0.01085 -0.00979 -0.05623 0.04448 0.00100 -0.00989 -0.00028 -0.00042 -0.00000 -0.00590 -0.00280 0.02130 -0.03340 -0.03237 0.00073 -0.01679 -0.00394 0.00349 0.00250 -0.01401 0.00584 0.03744 -0.01871 -0.00073 0.00069 -0.00672 -0.02413 -0.01385 -0.00355 0.01619 -0.00400 -0.03008 -0.17022 0.13387 0.00294 -0.02957 -0.00142 -0.00265 0.00057 -0.01797 -0.00885 0.06419 -0.10098 -0.09874 0.00207 -0.05178 -0.01388 0.01013 0.00795 -0.04223 0.01913 0.11235 -0.05692 -0.00077 0.00229 -0.02049 -0.07529 -0.04258 -0.01129 0.04881 -0.01414 -0.06347 -0.37573 0.30016 0.00726 -0.06829 -0.00107 -0.00048 -0.00230 -0.04574 -0.02123 0.14407 -0.22409 -0.21666 0.00558 -0.11234 -0.02384 0.02706 0.01700 -0.10674 0.04043 0.25110 -0.12461 -0.00723 0.00408 -0.04521 -0.16793 -0.09896 -0.02505 0.12317 -0.02379 -0.04987 -0.25360 0.20550 -0.00034 -0.04552 0.00561 0.00137 0.02722 -0.03337 -0.01919 0.10195 -0.14257 -0.14271 0.00215 -0.07799 -0.03648 0.01947 0.05794 -0.15869 0.05830 0.15989 -0.08478 -0.00603 0.00568 -0.03674 -0.18067 -0.10965 -0.05645 0.16880 -0.06517 -0.00663 0.00500 -0.00241 0.00026 -0.00106 -0.02547 -0.01411 -0.00247 0.00703 -0.00639 0.00364 0.00379 -0.00428 -0.00019 0.00052 0.00157 0.00106 0.00152 -0.00071 -0.00102 0.00148 0.00324 0.00507 -0.00019 0.00212 0.00943 0.00718 0.00434 -0.02081 0.01238 -0.00087 0.00158 0.00696 -0.00071 -0.00159 -0.01098 0.00028 0.00449 -0.00999 0.00398 0.00241 -0.00509 -0.00215 0.00008 0.00271 0.00369 -0.00228 0.00109 0.00692 -0.00463 -0.00007 0.00008 0.00052 0.00002 0.00004 0.00193 0.00100 -0.00011 -0.00184 0.00014 -0.00019 0.00024 0.00148 0.00006 0.00013 0.00554 0.00286 -0.00033 -0.00531 0.00043 0.00034 -0.00062 -0.00293 -0.00015 -0.00030 -0.01133 -0.00579 0.00072 0.01108 -0.00110 0.00092 -0.00055 -0.00631 -0.00017 -0.00032 -0.02259 -0.01197 0.00116 0.02113 -0.00084 -0.00229 -0.00161 0.01391 0.00004 0.00003 0.04301 0.02379 -0.00157 -0.03813 -0.00167 -0.00712 0.01637 0.00527 0.00239 0.00606 0.02804 0.00695 -0.01028 -0.05622 0.01805 -0.12887 -0.06760 -0.05763 -0.00665 -0.03467 -0.05722 -0.05987 0.00672 -0.28322 -0.45377 0.03346 0.00669 0.00215 -0.00430 -0.00633 0.00123 0.00055 -0.01734 -0.03349 -0.19623 0.05968 0.01482 0.06560 -0.00222 0.00903 -0.00085 -0.00256 -0.01050 0.06041 -0.04921 0.04400 -0.01793 -0.04151 0.00572 0.00774 -0.00972 -0.01470 0.01786 -0.01515 -0.01504 0.11666 0.05447 0.04196 -0.00498 0.00226 -0.01332 -0.00607 0.00355 0.00438 -0.00518 0.10336 0.01470 0.14293 -0.00612 0.00506 0.03381 0.01565 0.00413 -0.02169 0.00820 0.10963 -0.06368 -0.10561 0.01634 0.03594 0.05613 0.02512 -0.00741 -0.00340 0.00571 -0.04408 -0.02049 -0.01593 0.00189 -0.00083 0.00511 0.00234 -0.00138 -0.00171 0.00200 -0.03903 -0.00556 -0.05402 0.00232 -0.00190 -0.01279 -0.00591 -0.00160 0.00829 -0.00310 -0.04148 0.02407 0.04000 -0.00620 -0.01361 -0.02124 -0.00954 0.00291 0.00126 -0.00215 -0.13381 -0.06292 -0.04783 0.00568 -0.00297 0.01492 0.00673 -0.00414 -0.00479 0.00591 -0.11853 -0.01731 -0.16459 0.00707 -0.00578 -0.04010 -0.01873 -0.00479 0.02619 -0.01009 -0.12461 0.07264 0.12075 -0.01868 -0.04136 -0.06705 -0.02991 0.00838 0.00419 -0.00714 -0.29415 -0.13364 -0.10810 0.01289 -0.00445 0.03806 0.01788 -0.01080 -0.01382 0.01506 -0.25943 -0.03681 -0.36061 0.01562 -0.01275 -0.08828 -0.04060 -0.01218 0.06013 -0.02110 -0.27920 0.16126 0.26991 -0.04241 -0.09214 -0.14577 -0.06695 0.02362 0.00804 -0.01432 -0.19815 -0.08465 -0.08204 0.00860 -0.00707 -0.00056 -0.00834 -0.01412 -0.02010 0.00830 -0.17479 -0.03709 -0.23757 0.00811 -0.01262 -0.07836 -0.03298 -0.00346 0.08855 -0.03503 -0.17521 0.10075 0.17469 -0.02542 -0.06232 -0.15522 -0.06926 0.01314 0.01402 -0.02830 0.00388 0.00100 -0.00246 0.00045 0.00012 -0.00203 -0.00057 -0.00198 -0.00188 0.00322 -0.00731 0.00349 0.00571 0.00021 0.00153 0.02242 0.01029 -0.00533 0.00335 0.00370 0.00447 -0.00253 0.00030 0.00083 0.00088 -0.01682 -0.00816 -0.00166 0.00501 -0.00469 -0.00938 -0.00106 -0.00312 0.00025 0.00142 0.00926 0.00568 0.00288 -0.01342 0.00127 -0.00085 0.00395 -0.00646 -0.00033 -0.00036 0.00646 0.00393 0.00225 -0.01159 0.00719 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 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 4 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 5 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 6 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 7 H 1S 2S 3S 4S 5PX 5PY 5PZ 8 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 9 H 1S 2S 3S 4S 5PX 5PY 5PZ 10 H 1S 2S 3S 4S 5PX 5PY 5PZ 11 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 12 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 13 H 1S 2S 3S 4S 5PX 5PY 5PZ 14 H 1S 2S 3S 4S 5PX 5PY 5PZ 15 H 1S 2S 3S 4S 5PX 5PY 5PZ 16 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 17 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 18 H 1S 2S 3S 4S 5PX 5PY 5PZ 19 Cl 1S 2S 3S 4S 5S 6S 7S 7PX 7PY 7PZ 8PX 8PY 8PZ 9PX 9PY 9PZ 10PX 10PY 10PZ 11PX 11PY 11PZ 12PX 12PY 12PZ 13D 0 13D+1 13D-1 13D+2 13D-2 20 Cl 1S 2S 3S 4S 5S 6S 7S 7PX 7PY 7PZ 8PX 8PY 8PZ 9PX 9PY 9PZ 10PX 10PY 10PZ 11PX 11PY 11PZ 12PX 12PY 12PZ 13D 0 13D+1 13D-1 13D+2 13D-2 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 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 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|4 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|5 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|6 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|7 H 1S|2S|3S|4S|5PX|5PY|5PZ|8 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|9 H 1S|2S|3S|4S|5PX|5PY|5PZ|10 H 1S|2S|3S|4S|5PX|5PY|5PZ|11 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|12 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|13 H 1S|2S|3S|4S|5PX|5PY|5PZ|14 H 1S|2S|3S|4S|5PX|5PY|5PZ|15 H 1S|2S|3S|4S|5PX|5PY|5PZ|16 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|17 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|18 H 1S|2S|3S|4S|5PX|5PY|5PZ|19 Cl 1S|2S|3S|4S|5S|6S|7S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|11PX|11PY|11PZ|12PX|12PY|12PZ|13D 0|13D+1|13D-1|13D+2|13D-2|20 Cl 1S|2S|3S|4S|5S|6S|7S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|11PX|11PY|11PZ|12PX|12PY|12PZ|13D 0|13D+1|13D-1|13D+2|13D-2 1.10454 0.88459 0.24004 0.23469 0.15347 0.77036 0.54454 0.52901 0.39759 0.46460 0.24391 0.17587 0.30352 -0.27348 -0.01970 -0.22795 0.01423 0.00455 0.00578 0.00993 0.01840 0.02121 1.10442 0.88485 0.22067 0.23438 0.17732 0.75099 0.52038 0.52979 0.45617 0.40908 0.20638 0.23167 0.37929 0.23732 0.16101 -0.59910 -0.12407 0.00405 0.00637 0.00821 0.01511 0.01985 1.10450 0.88473 0.24908 0.20609 0.17148 0.76860 0.56198 0.48600 0.44796 0.38341 0.13080 0.02970 0.31155 0.96090 0.31141 0.20932 0.14150 0.00643 0.01327 0.01592 0.03385 0.02425 1.10435 0.88482 0.23037 0.23634 0.17481 0.75922 0.52847 0.53806 0.45848 0.39432 0.16689 0.25832 0.36327 -0.32269 -0.10603 -0.05282 -0.10285 0.00500 0.00805 0.01111 0.02141 0.02553 1.10446 0.88461 0.24546 0.22926 0.16063 0.76453 0.54194 0.52548 0.41503 0.44925 0.23495 0.15888 0.32129 0.11201 0.13432 -0.02656 0.03643 0.00410 0.00738 0.00805 0.02008 0.01875 1.10442 0.88467 0.23704 0.23470 0.16627 0.75888 0.53026 0.53246 0.42957 0.45586 0.14410 0.26069 0.34345 0.29422 0.00643 0.14674 -0.00023 0.00387 0.00907 0.00469 0.02172 0.01751 0.27005 0.47493 0.02296 0.00730 0.01397 0.00680 0.00465 1.10455 0.88454 0.23841 0.24298 0.14675 0.77339 0.54222 0.54105 0.38402 0.45490 0.19961 0.16497 0.29288 -1.16876 -0.02063 -0.04668 0.02803 0.00425 0.00615 0.01033 0.01728 0.02212 0.26905 0.48380 -0.00352 -0.03203 0.01220 0.00747 0.00520 0.26936 0.48357 -0.01089 -0.05674 0.00400 0.01517 0.00548 1.10434 0.88468 0.23460 0.23756 0.17327 0.75229 0.53024 0.53186 0.44788 0.48635 0.25170 0.18470 0.35202 0.55327 0.13798 0.10961 -0.01676 0.00408 0.00574 0.00669 0.01599 0.02176 1.10454 0.88455 0.23090 0.24238 0.15609 0.77264 0.51186 0.54210 0.40517 0.45046 0.08180 0.19816 0.28016 -0.29129 0.04315 0.07826 0.03111 0.00537 0.01907 0.00607 0.02659 0.02381 0.26846 0.48144 -0.01593 -0.07810 0.01316 0.00693 0.00440 0.26802 0.47809 -0.02319 -0.04697 0.01279 0.00702 0.00541 0.26800 0.47588 -0.02895 -0.06815 0.00317 0.01625 0.00473 1.09526 0.89585 0.26952 0.26196 0.27406 0.85431 0.61092 0.60082 0.62614 0.65069 0.31728 0.30555 0.53081 -0.22979 -0.20130 -0.11829 -0.05004 0.00265 0.00347 0.00582 0.01023 0.01109 1.13372 0.85465 0.17156 0.12317 0.05883 0.66891 0.44128 0.35288 0.19231 0.37855 0.11658 0.14499 0.14678 0.05621 0.10976 0.04750 0.11125 0.01717 0.02407 0.02702 0.03673 0.04152 0.25709 0.39867 0.07494 0.00887 0.02419 0.01131 0.01054 0.77758 1.18734 0.89526 1.08809 1.00361 1.05111 -0.08762 -0.06205 -0.06300 -0.06020 1.54104 1.54475 1.54678 0.43089 0.42391 0.42033 0.39153 0.35503 0.33052 1.07537 0.95637 0.90863 0.54046 0.35866 0.40454 0.00210 0.00134 0.00659 0.00269 0.00163 0.77757 1.18735 0.89518 1.08801 1.00513 1.04973 -0.10345 -0.03392 -0.08530 -0.08440 1.54579 1.54376 1.54282 0.42192 0.42570 0.42759 0.34479 0.36535 0.37222 0.91851 0.98158 1.02586 0.33667 0.43612 0.50991 0.00247 0.00204 0.00094 0.00324 0.00731 8.1739 -1.3880 -1.5126 8.4277 -56.8378 -59.1697 -87.2262 -6.1087 0.8750 6.1691 10.9068 8.5749 -19.4817 -6.1087 0.8750 6.1691 106.0337 0.1814 -6.7997 35.2546 -7.0212 -4.1389 -10.3812 -6.1737 -0.6520 5.0562 -2154.2612 -1004.5215 -178.0226 -41.0274 12.8853 -22.9225 39.7053 23.3697 -9.2210 -523.0748 -474.0773 -242.6117 25.6442 -1.4413 14.4972 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 203.82 AuxInfo=1/0/N:6,11,5,8,1,12,4,2,3,17,19,20,16/E:(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3/rA:20nC3C3C3C3C3C3HC3HHC3C3HHHNBHClCl/rB:s1;s2;s3;s4;s1s5;s1;s4;s5;s6;s8;s11;s8;s11;s12;s3s12;s2;s16;s17;s17;/rC:-.4304,1.9193,.197;-.4602,.5404,.0411;.8143,-.1021,-.0372;2.0219,.6333,.0369;1.9659,2.0408,.1928;.7584,2.6695,.2713;-1.368,2.4566,.2636;3.2527,-.0507,-.0439;2.8936,2.5981,.2471;.7015,3.7436,.3916;3.2968,-1.4165,-.1958;2.0949,-2.106,-.265;4.1723,.5214,.0147;4.23,-1.9572,-.2609;2.0328,-3.1795,-.3856;.9385,-1.4578,-.1855;-1.862,-.1487,-.0399;.0777,-1.9993,-.2439;-2.087,-1.8845,-.3242;-3.3359,.7719,.1442; 0.000000 1.388040 0.000000 2.385448 1.429464 0.000000 2.773619 2.483801 1.415788 0.000000 2.399396 2.856645 2.443613 1.417226 0.000000 1.407629 2.463959 2.789318 2.407819 1.363701 0.000000 1.082738 2.132060 3.376446 3.855810 3.360535 2.137023 0.000000 4.183721 3.760569 2.438889 1.410374 2.466940 3.704065 5.266086 0.000000 3.392940 3.940132 3.419867 2.159785 1.083555 2.136558 4.263988 2.688777 0.000000 2.155722 3.425374 3.871227 3.397550 2.130238 1.082321 2.440422 4.592870 2.477556 0.000000 5.017382 4.242734 2.813461 2.425161 3.724966 4.832978 6.080555 1.375023 4.059083 5.805846 0.000000 4.774268 3.691296 2.388990 2.756807 4.173954 4.987915 5.752300 2.369294 4.798800 6.049010 1.387294 0.000000 4.813682 4.632571 3.415730 2.153419 2.684778 4.041628 5.873807 1.084597 2.449820 4.750858 2.136916 3.361049 0.000000 6.079114 5.322279 3.893307 3.416853 4.616863 5.808741 7.148024 2.153388 4.774370 6.736083 1.080418 2.140199 2.494544 0.000000 5.692468 4.498265 3.328068 3.836088 5.252621 6.022138 6.614581 3.375535 5.875502 7.092630 2.177518 1.082022 4.293477 2.517334 0.000000 3.663989 2.449551 1.369372 2.365514 3.665889 4.156391 4.565553 2.712094 4.523249 5.238674 2.358706 1.328111 3.796650 3.330001 2.049825 0.000000 2.526349 1.564138 2.676769 3.962579 4.416042 3.860781 2.669068 5.115640 5.499394 4.680609 5.314646 4.420334 6.071634 6.358613 4.947215 3.094809 0.000000 3.975946 2.611624 2.045646 3.284694 4.480925 4.746227 4.712016 3.730657 5.413571 5.811567 3.271810 2.020195 4.815239 4.152532 2.288094 1.018658 2.688665 0.000000 4.181475 2.942740 3.417109 4.832385 5.665783 5.402712 4.439326 5.652715 6.725024 6.321663 5.405608 4.188204 6.714248 6.317675 4.318965 3.058553 1.773228 2.169189 0.000000 3.124336 2.886846 4.245138 5.360627 5.451791 4.514440 2.593306 6.642371 6.492481 5.019278 6.992688 6.159841 7.513450 8.053213 6.687072 4.832235 1.747467 4.413922 2.972449 0.000000 1.0240353 0.4743144 0.3243143 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 6 6 6 6 6 6 1 6 1 1 6 6 1 1 1 7 5 1 17 17 -0.006937800 0.007158314 -0.003172833 0.003606257 -0.018446755 -0.033511441 0.006943575 -0.006036198 -0.000669492 -0.005268685 -0.002442630 0.000904339 -0.002172321 -0.001527753 -0.000725057 -0.002538197 -0.000387513 0.003236468 0.001593241 0.001449122 -0.000775045 0.001937893 -0.001567940 -0.000017023 -0.000559185 0.000317917 -0.000476490 -0.000994926 -0.000998071 -0.000014306 -0.000794590 0.000463286 -0.000083321 0.003811152 -0.001288463 0.000100967 -0.000241789 -0.000092016 0.000021694 -0.000163489 0.000021197 -0.000027942 0.000128016 -0.000211925 0.000130599 -0.003959483 0.002269303 0.000150861 -0.032005123 0.035329025 0.101583901 0.007260353 -0.002045268 -0.000440789 0.000348784 0.018566798 -0.043624993 0.030006318 -0.030530430 -0.022590097 0.101583901 0.017805345 9 -1347.06196621 PT89925.600S 2024-02-24T02:37:41.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 C C C C C C H C H H C C H H H N B H Cl Cl 0.400309 0.165866 -1.452731 0.415583 -0.350338 -0.586406 0.199339 1.177635 0.257814 0.290049 -1.009859 0.197052 0.319642 0.298827 0.329078 0.272975 -0.255429 0.214385 0.026712 0.089496 1.00000 -10.41797 -10.41036 -10.39816 -10.39537 -10.39209 -10.38716 -10.37824 -9.66918 -9.65517 -7.41556 -7.41018 -7.40920 -7.40183 -7.39644 -7.39460 -7.02938 -1.21570 -1.06700 -1.04091 -1.02319 -0.99563 -0.97133 -0.94777 -0.86392 -0.84713 -0.82733 -0.75460 -0.73223 -0.71330 -0.68312 -0.66173 -0.64942 -0.63981 -0.63057 -0.60437 -0.59490 -0.57372 -0.56534 -0.54936 -0.53507 -0.53186 -0.53032 -0.49776 -0.47888 -0.47761 -0.46129 -0.43300 -0.41559 -0.11818 -0.07535 -0.05455 -0.00820 0.00522 0.00844 0.01773 0.02457 0.02665 0.03245 0.03435 0.04823 0.04981 0.05644 0.06871 0.07138 0.07352 0.07450 0.07631 0.08169 0.09240 0.09886 0.10724 0.10934 0.11189 0.11487 0.11797 0.12211 0.12565 0.12808 0.13477 0.13805 0.13845 0.14308 0.14868 0.15222 0.15478 0.15685 0.16092 0.16611 0.16835 0.17363 0.17651 0.17821 0.18934 0.19332 0.19594 0.19753 0.20528 0.21001 0.21569 0.21616 0.22179 0.22680 0.23178 0.23852 0.24502 0.24824 0.25090 0.25274 0.26064 0.26795 0.27608 0.27910 0.28624 0.29071 0.29867 0.30404 0.30673 0.31064 0.31388 0.32243 0.32651 0.34140 0.35546 0.35836 0.37143 0.38604 0.39203 0.39674 0.44653 0.45452 0.46957 0.48588 0.49117 0.49467 0.50604 0.51068 0.51932 0.52577 0.53064 0.54781 0.54964 0.55020 0.56325 0.56790 0.58119 0.58319 0.58819 0.59506 0.59862 0.60069 0.61013 0.62384 0.63948 0.64169 0.64976 0.65759 0.67109 0.68179 0.68495 0.70144 0.73045 0.73174 0.74363 0.76354 0.76872 0.77303 0.79578 0.80552 0.81575 0.83240 0.84440 0.85440 0.86090 0.86872 0.87552 0.88855 0.89864 0.90259 0.90752 0.91252 0.91451 0.92485 0.92881 0.93819 0.94475 0.95072 0.95891 0.96578 0.98003 0.99909 1.01198 1.01684 1.03073 1.03765 1.04454 1.07700 1.07874 1.08804 1.09425 1.11526 1.13393 1.14871 1.15460 1.17115 1.19499 1.22498 1.25425 1.29827 1.35665 1.37013 1.37492 1.38833 1.43465 1.47012 1.48765 1.49738 1.50092 1.52648 1.54704 1.55722 1.57326 1.58244 1.59245 1.60167 1.62144 1.64823 1.65879 1.67589 1.68383 1.71923 1.72735 1.74464 1.75099 1.78585 1.79594 1.81465 1.84569 1.87180 1.88222 1.89560 1.90290 1.90963 1.92918 1.95796 1.96464 1.96719 1.97697 1.98027 1.98185 2.01934 2.07720 2.09379 2.15035 2.16389 2.17605 2.20300 2.24108 2.27170 2.28165 2.31369 2.32900 2.33984 2.35644 2.36850 2.42743 2.45005 2.48383 2.48508 2.50076 2.50962 2.53288 2.53502 2.53813 2.58767 2.66298 2.67780 2.68371 2.68608 2.69907 2.72648 2.72758 2.74995 2.75650 2.77305 2.77828 2.79224 2.80401 2.81208 2.83853 2.84648 2.86237 2.88857 2.91294 2.91925 2.93716 2.97065 3.02793 3.07424 3.09672 3.11186 3.22116 3.27479 3.34782 3.37005 3.39863 3.43905 3.50272 3.53541 3.56754 3.64622 3.67280 3.76845 3.87928 3.94516 4.03167 4.04696 4.09858 4.18104 4.18558 4.50765 4.82291 4.84825 5.25117 9.85050 9.97734 14.46698 23.61875 23.86559 23.96578 23.98152 24.03728 24.07062 24.12830 24.19708 24.24278 25.90740 25.99475 26.13529 26.30599 26.49935 26.67246 35.69998 215.93814 216.08222 49 50 51 52 53 54 55 56 57 58 O|O|O|O|O|V|V|V|V|V -0.47888 -0.47761 -0.46129 -0.43300 -0.41559 -0.11818 -0.07535 -0.05455 -0.00820 0.00522 -0.00150 -0.00044 0.00575 0.00011 -0.00009 0.00014 -0.00059 0.00004 0.00421 0.00410 -0.00241 -0.00070 0.00927 0.00019 -0.00015 0.00023 -0.00096 0.00007 0.00698 0.00674 -0.02052 -0.00406 0.03685 -0.00078 0.00051 0.00079 -0.00041 0.00076 0.00433 0.00611 -0.04669 -0.00631 -0.01040 0.01258 -0.00665 -0.01101 0.00141 -0.01277 -0.00664 -0.00657 -0.00457 0.00337 -0.00135 -0.11171 0.05816 0.10331 -0.02749 0.11694 -0.00037 -0.00081 0.00591 0.00180 -0.02639 -0.00067 0.00051 -0.00069 0.00337 -0.00015 -0.02499 -0.02588 -0.02650 -0.00563 0.05634 -0.00131 0.00084 0.00131 -0.00064 0.00135 0.00852 0.00775 -0.06838 -0.00929 -0.01555 0.02037 -0.01071 -0.01787 0.00246 -0.02006 -0.00716 -0.00778 -0.00676 0.00553 -0.00210 -0.18128 0.09428 0.16579 -0.04253 0.18219 -0.00004 -0.00114 0.00620 0.00240 -0.04618 0.00096 0.00249 0.00020 -0.00324 -0.00038 -0.07500 0.03086 -0.02996 -0.00377 -0.00506 -0.00175 0.00082 -0.00081 0.00217 0.00383 -0.03640 0.05789 -0.05772 -0.00527 -0.06115 0.01613 -0.01039 -0.02442 0.01064 -0.03218 0.03043 -0.04826 -0.00554 0.00765 -0.00656 -0.14991 0.07886 0.21371 -0.06192 0.29589 0.00383 -0.00459 0.25644 -0.03241 0.91520 0.00819 0.01575 0.00584 -0.15016 -0.11752 -3.70568 -5.33674 0.46309 0.05456 0.23321 -0.01656 0.03341 -0.01226 0.09269 0.02567 -2.65953 0.79774 0.54506 0.09243 -0.00939 -0.02316 0.04049 0.00260 0.11690 0.07061 -2.69083 1.85418 0.04859 0.05999 0.00344 -0.00675 0.01663 0.09626 0.06505 0.21616 -0.27490 0.19308 -0.00054 -0.00038 -0.00072 -0.00064 -0.00411 0.00276 -0.00133 -0.00125 0.00369 0.00098 -0.00132 -0.00215 0.00036 -0.01191 -0.00893 0.00542 -0.01038 -0.01098 -0.00052 -0.00008 0.00083 -0.00177 0.00023 -0.00416 -0.02137 0.01468 -0.00839 -0.00703 -0.00106 -0.00051 -0.00518 -0.00078 -0.00083 -0.00053 -0.00250 0.00168 -0.00099 -0.00090 0.00354 0.00461 -0.01325 -0.00183 0.00476 0.00119 0.00102 -0.00049 0.00083 0.00134 -0.00510 -0.00158 0.01288 0.00202 0.00363 0.00015 -0.00023 0.00003 0.00002 -0.00013 0.00387 0.00202 0.02044 0.00319 0.00570 0.00025 -0.00037 0.00005 0.00004 -0.00021 0.00674 0.00316 0.09489 0.01304 0.00938 0.00066 -0.00050 -0.00016 0.00034 -0.00064 0.00916 -0.00432 0.05735 0.00719 0.01038 0.00206 -0.01585 0.00745 -0.00396 0.00012 0.00109 -0.00336 0.00656 0.00728 0.00076 -0.01673 0.13706 -0.06814 0.04123 -0.00484 -0.00011 -0.00136 -0.04628 -0.00747 -0.01360 -0.00071 0.00096 -0.00017 -0.00015 0.00069 -0.03034 -0.00920 0.13185 0.01823 0.01170 0.00086 -0.00060 -0.00042 0.00055 -0.00065 0.01500 -0.01069 0.07975 0.00983 0.00883 0.00311 -0.02556 0.01214 -0.00699 0.00055 0.00247 -0.00374 0.00921 0.01217 -0.00014 -0.02567 0.22283 -0.10868 0.06767 -0.00872 -0.00023 -0.00134 -0.20904 -0.02740 -0.02673 0.00015 0.00283 0.00136 0.00132 -0.00267 0.08445 -0.08920 0.10319 0.01467 0.09320 0.00284 -0.00108 0.00190 -0.00041 -0.00799 0.07011 0.02532 0.08436 0.01314 -0.03654 0.00201 -0.02756 0.01378 -0.00158 0.00128 0.02403 -0.05318 0.00997 0.00754 -0.00464 -0.03427 0.20913 -0.15667 0.11043 -0.00576 0.00231 -0.01177 0.21013 0.13223 -0.19862 -0.07487 0.05665 0.01492 0.18027 0.27051 -2.70873 6.85111 -0.16469 0.02998 0.13545 -0.01007 -0.00862 0.02254 -0.08550 0.05080 0.65982 -0.00362 0.47167 0.10602 -0.18581 -0.02474 0.03399 -0.01321 0.20376 0.09242 -3.06684 2.31640 0.06211 -0.03575 -0.02814 -0.00153 0.00846 -0.08655 -0.00179 0.02766 -0.34562 0.27447 -0.00178 -0.00018 -0.00046 -0.00370 0.00077 0.00344 -0.00102 0.00567 0.00527 0.00001 -0.00068 -0.00219 0.00068 0.00993 0.00347 0.00262 -0.03340 -0.00775 0.00033 -0.00008 0.00090 0.00066 0.00032 -0.01814 0.00434 0.01690 -0.00527 0.02805 -0.00053 -0.00015 -0.00335 -0.00044 -0.00015 -0.00192 0.00031 0.00248 -0.00218 0.00340 -0.00415 0.00038 -0.00769 -0.00080 0.00715 -0.00125 -0.00013 -0.00049 0.00456 0.00084 0.00168 0.00039 -0.00336 -0.00045 -0.00024 -0.00004 0.00020 -0.00010 0.00055 -0.00016 0.00716 0.00386 -0.00548 -0.00074 -0.00043 -0.00007 0.00032 -0.00016 0.00090 -0.00025 0.01207 0.00638 -0.05295 -0.00693 0.00181 0.00027 0.00100 -0.00066 0.00043 -0.00067 -0.00208 -0.00831 -0.01325 -0.00011 0.00728 -0.01241 -0.00454 0.00244 0.01526 0.01019 -0.00439 -0.00652 0.00025 -0.00654 -0.00163 0.11556 0.03945 -0.02030 -0.14202 -0.09451 -0.00061 -0.00008 0.01772 0.00228 0.00071 0.00032 -0.00108 0.00053 -0.00308 0.00068 -0.04743 -0.02034 -0.07822 -0.01017 -0.00043 0.00048 0.00150 -0.00107 0.00070 -0.00097 -0.00683 -0.01203 -0.01966 0.00014 0.01090 -0.02058 -0.00745 0.00380 0.02470 0.01607 -0.00981 -0.01032 0.00082 -0.01156 -0.00266 0.19175 0.06555 -0.03256 -0.22626 -0.15047 -0.00165 0.00015 -0.00247 0.00534 0.00387 -0.00267 -0.00107 0.00053 -0.00676 0.00806 -0.08294 -0.06260 -0.09194 -0.01095 0.09313 0.00325 0.00368 0.00339 -0.00789 -0.00779 0.08878 -0.01350 0.05518 0.00303 -0.02583 -0.01855 -0.00569 0.00541 0.03569 0.02958 -0.01996 0.02415 0.00759 -0.00462 -0.00730 0.17000 0.06431 -0.04615 -0.35840 -0.26243 -0.00163 0.00397 0.20816 0.07632 -0.54817 0.06918 -0.11843 0.00626 -0.07006 0.03181 19.92951 19.44502 -0.25353 -0.03160 -0.02585 0.01382 -0.05293 -0.00478 -0.08651 -0.00780 6.99091 4.85958 -0.07012 0.00010 -0.03945 0.02001 -0.03007 0.02815 -0.08312 0.01526 5.59006 -2.43161 -0.00781 0.00611 0.00361 -0.00679 0.00067 -0.00925 -0.09738 -0.24573 0.56206 -0.31026 -0.00030 -0.00003 -0.00032 0.00002 0.00274 -0.00410 -0.00226 0.00378 0.00571 0.00051 -0.00167 -0.00109 0.00002 0.01341 -0.01828 0.00868 -0.00953 0.02138 -0.00039 0.00088 0.00115 -0.00003 0.00064 0.00046 0.01338 -0.02136 -0.01121 0.02087 -0.00094 -0.00012 -0.01080 -0.00154 -0.00247 0.00006 0.00160 -0.00241 -0.00109 0.00244 0.00040 -0.00078 -0.01452 -0.00161 0.00066 -0.00154 0.00224 -0.00112 0.00099 -0.00217 -0.00435 0.00572 0.00277 0.00031 0.00055 0.00006 -0.00012 0.00009 -0.00016 0.00005 0.00622 -0.00081 0.00437 0.00050 0.00086 0.00010 -0.00020 0.00015 -0.00027 0.00010 0.01060 -0.00101 0.04565 0.00540 -0.00315 0.00074 -0.00061 0.00012 -0.00057 0.00066 0.00226 -0.00276 0.03059 0.00476 -0.00333 -0.01226 0.00342 0.00257 0.00070 -0.01501 0.00337 -0.00549 0.00280 -0.01108 -0.00048 0.11235 -0.03298 -0.02215 -0.00816 0.13696 0.00084 -0.00014 -0.01203 -0.00161 -0.00240 -0.00023 0.00065 -0.00049 0.00072 -0.00063 -0.04784 -0.00886 0.06339 0.00753 -0.00415 0.00115 -0.00083 0.00015 -0.00074 0.00115 0.00209 -0.00248 0.04170 0.00675 -0.00610 -0.02037 0.00562 0.00404 0.00095 -0.02354 0.00784 -0.00895 0.00372 -0.01841 -0.00094 0.18630 -0.05354 -0.03585 -0.01006 0.21453 0.00172 -0.00035 0.00116 -0.00027 -0.02450 -0.00186 -0.00184 -0.00134 0.00468 0.00346 0.02240 0.06758 0.08275 0.00815 -0.00088 0.00085 0.00001 0.00147 -0.00597 0.00196 0.07449 0.02350 0.02533 0.00620 0.06231 -0.01581 0.00662 0.00944 -0.00275 -0.04443 0.05389 -0.00434 0.00217 -0.01674 0.00717 0.15898 -0.05480 -0.04787 -0.03032 0.37957 0.00626 0.00106 -0.22626 -0.05033 0.49112 -0.03711 0.03947 -0.01107 -0.08190 -0.02806 -6.69759 -6.35889 -0.15394 0.08346 0.03403 -0.00631 -0.04557 0.04049 -0.16322 0.12942 10.03058 9.15229 0.19884 -0.01003 -0.21160 0.05570 -0.06317 -0.01933 -0.03894 -0.14413 10.78840 6.25728 0.02187 0.01429 -0.03379 0.01111 0.00633 -0.02751 -0.15573 0.32071 1.15010 0.63776 -0.00039 -0.00034 -0.00010 -0.00223 -0.00391 -0.00440 0.00215 0.00030 0.00390 0.00285 -0.00104 0.00114 0.00062 -0.00690 0.00284 0.01852 0.03098 0.01065 -0.00042 -0.00098 0.00029 -0.00134 -0.00021 -0.01199 -0.02026 -0.02196 0.01243 0.00234 -0.00023 -0.00056 -0.00084 -0.00006 0.00132 -0.00132 -0.00232 -0.00232 0.00139 0.00029 -0.00435 -0.00165 -0.00638 -0.00101 0.00163 0.00067 -0.00042 -0.00225 -0.00328 -0.00117 -0.00423 -0.00828 0.00022 0.00002 0.00313 0.00001 0.00002 0.00001 0.00000 -0.00002 0.00447 0.01046 0.00030 0.00004 0.00501 0.00001 0.00003 0.00001 0.00000 -0.00002 0.00735 0.01727 -0.01300 -0.00230 0.01628 -0.00013 -0.00091 -0.00080 0.00047 -0.00026 -0.01120 -0.02533 -0.02019 -0.00056 0.00095 0.00283 0.01430 0.01159 -0.00617 0.00393 -0.01259 -0.01436 -0.00188 -0.01340 -0.00039 -0.02561 -0.12954 -0.10462 0.05501 -0.03660 -0.00157 -0.00238 0.00057 -0.00019 -0.01467 -0.00001 -0.00008 -0.00001 -0.00000 -0.00011 -0.02359 -0.05927 -0.01841 -0.00314 0.02375 -0.00023 -0.00150 -0.00124 0.00074 -0.00023 -0.01414 -0.03081 -0.03035 -0.00053 0.00136 0.00446 0.02316 0.01845 -0.00959 0.00633 -0.01690 -0.01284 -0.00285 -0.02143 -0.00066 -0.04076 -0.20977 -0.16635 0.08604 -0.05744 -0.00212 -0.00276 0.00004 0.00050 -0.04675 -0.00075 -0.00010 -0.00286 0.00122 0.00245 -0.13135 -0.13260 -0.03469 -0.00624 0.02193 -0.00005 -0.00156 -0.00174 0.00334 -0.00215 -0.07421 -0.17217 -0.01327 -0.00074 0.03760 0.00525 0.02010 0.02604 -0.01924 0.00926 0.01506 -0.05507 -0.00084 -0.01660 0.00362 -0.03995 -0.18257 -0.21879 0.14437 -0.09888 0.00128 -0.00768 -0.50827 0.02466 -0.35193 -0.09176 0.07834 0.00130 0.15261 0.21212 -13.42543 -5.64992 0.21024 0.00807 0.22231 0.01205 0.00616 0.00383 0.00105 -0.04269 -2.50663 -4.51897 -0.24321 -0.05161 -0.20466 0.01509 -0.03234 0.00225 -0.07500 -0.03731 4.53655 1.55643 -0.03035 0.00014 -0.01907 0.00725 -0.01681 -0.08217 0.16182 -0.10202 0.51642 0.20102 0.00000 0.00017 -0.00029 -0.00358 -0.00006 0.00136 -0.00032 -0.00533 0.00447 0.00179 -0.00104 0.00076 0.00033 0.01401 0.01054 -0.00356 0.00978 0.01326 0.00025 0.00054 0.00080 0.00119 -0.00008 -0.01754 0.00031 0.00662 -0.00102 -0.02666 -0.00141 -0.00094 -0.00612 -0.00068 0.00121 -0.00189 0.00010 0.00074 -0.00015 -0.00287 0.00367 0.00524 -0.00910 -0.00129 0.00255 -0.00166 -0.00113 0.00043 -0.00107 -0.00162 0.00197 0.00639 0.00276 0.00053 -0.00261 0.00001 -0.00005 -0.00004 0.00022 -0.00006 0.00494 0.00789 0.00441 0.00085 -0.00410 0.00001 -0.00009 -0.00006 0.00036 -0.00009 0.00805 0.01277 0.03025 0.00483 -0.01975 -0.00088 -0.00083 0.00028 0.00025 -0.00093 0.00315 0.00187 0.03373 0.00535 -0.00124 0.01299 0.00956 -0.00553 0.00399 0.01029 -0.00732 -0.02397 0.00400 -0.00694 -0.00030 -0.11592 -0.08683 0.04888 -0.03231 -0.09299 -0.00100 -0.00175 -0.01454 -0.00274 0.00957 -0.00003 0.00026 0.00014 -0.00115 0.00013 -0.02559 -0.03706 0.04134 0.00657 -0.02716 -0.00137 -0.00126 0.00042 0.00039 -0.00145 0.00312 0.00160 0.04854 0.00783 -0.00135 0.02107 0.01543 -0.00896 0.00566 0.01626 -0.01245 -0.02912 0.00582 -0.01072 -0.00037 -0.18824 -0.13996 0.07958 -0.04689 -0.14598 -0.00167 -0.00181 -0.00262 -0.00287 0.06720 0.00018 0.00028 0.00175 -0.00157 -0.00017 -0.09626 -0.26698 0.01622 0.00439 -0.04922 -0.00163 -0.00134 -0.00020 0.00291 -0.00189 -0.00140 -0.00509 0.04491 0.00859 -0.02263 0.01740 0.01410 -0.01280 0.01192 0.02646 -0.03617 -0.02989 0.00553 -0.01075 -0.00275 -0.15688 -0.12393 0.09976 -0.09706 -0.23183 -0.00415 -0.00085 -0.68201 -0.12791 0.00266 0.07029 -0.07954 0.03136 -0.23291 -0.15344 4.82713 -5.62337 0.50351 0.07065 0.33006 -0.00874 0.03177 0.00900 0.05947 0.03143 -2.93176 -0.13705 0.14944 0.03230 0.08140 -0.00875 0.01633 -0.01914 0.06058 0.04023 -1.92123 -1.81391 0.01829 -0.02427 0.00212 -0.01477 -0.01195 0.03554 -0.10281 -0.16399 -0.19584 -0.19473 -0.00043 0.00012 -0.00035 0.00180 0.00125 0.00048 0.00004 -0.00112 0.00330 0.00316 -0.00022 -0.00166 0.00035 0.00762 -0.01859 -0.02510 0.01041 -0.01931 -0.00015 -0.00022 0.00095 0.00088 0.00046 0.00978 0.00519 0.00074 0.00130 -0.00707 -0.00011 0.00047 -0.00807 -0.00084 -0.00334 0.00116 0.00042 -0.00004 0.00004 -0.00092 -0.00514 -0.00872 -0.00238 -0.00021 0.00348 -0.00078 0.00209 0.00276 -0.00101 0.00204 -0.00115 -0.00174 0.00788 0.00218 -0.02703 0.00009 -0.00018 -0.00005 0.00029 -0.00024 0.00240 0.00210 0.01387 0.00351 -0.04156 -0.00009 -0.00028 -0.00048 0.00129 0.00021 -0.01261 0.00025 0.02627 0.00190 0.01848 0.00014 0.00032 -0.00134 0.00043 -0.00145 0.06073 0.16619 0.00831 -0.00691 0.19617 0.00261 -0.00293 -0.01948 0.01503 -0.02343 0.22144 0.22720 -0.00355 -0.00030 -0.00538 -0.00011 0.00006 0.00009 -0.00002 0.00017 -0.00425 -0.00249 -0.00360 -0.00056 0.00008 0.00098 -0.00047 -0.00114 0.00012 -0.00150 0.00233 0.00274 -0.00040 0.00114 0.00021 -0.00856 0.00445 0.01055 -0.00199 0.01285 0.00034 0.00028 -0.00280 -0.00043 -0.00005 -0.00002 0.00003 -0.00008 0.00008 -0.00004 0.00973 0.00443 -0.00452 -0.00068 -0.00007 -0.00003 0.00004 -0.00012 0.00013 -0.00006 0.01613 0.00731 -0.02639 -0.00331 0.00058 -0.00002 0.00051 0.00046 0.00065 -0.00010 -0.01696 -0.02282 -0.00419 -0.00075 -0.00107 -0.00264 -0.00686 -0.01448 -0.01027 0.00131 -0.00641 -0.01287 -0.00249 0.00461 0.00244 0.02456 0.06221 0.13209 0.09166 -0.01185 -0.00091 -0.00137 0.01459 0.00199 -0.00023 0.00006 -0.00013 0.00041 -0.00050 0.00021 -0.05730 -0.02089 -0.03796 -0.00461 -0.00033 -0.00000 0.00077 0.00071 0.00108 -0.00002 -0.01895 -0.02514 -0.00675 -0.00122 -0.00123 -0.00425 -0.01120 -0.02315 -0.01619 0.00198 -0.00622 -0.01398 -0.00406 0.00727 0.00402 0.03935 0.10130 0.21110 0.14376 -0.01802 -0.00099 -0.00150 -0.01590 0.00184 0.02994 0.00150 0.00075 0.00139 0.00084 -0.00251 -0.14309 -0.16585 -0.02247 -0.00498 -0.01473 -0.00095 0.00032 0.00036 0.00173 0.00078 -0.05915 -0.08378 -0.02697 -0.00449 -0.01135 -0.00410 -0.01042 -0.03247 -0.02347 0.00437 -0.11336 -0.07208 -0.00572 0.00726 0.00204 0.03556 0.08981 0.28090 0.23362 -0.03658 -0.01287 -0.00812 1.01035 0.09532 -0.34753 0.10590 -0.00775 -0.04163 0.13144 -0.24345 -2.27175 -6.22898 -0.06442 0.02226 0.12820 -0.01392 -0.00296 0.00759 -0.04516 0.04714 -0.35379 -1.10846 -0.30466 -0.09668 -0.13306 -0.02193 0.01977 -0.02692 0.05551 -0.00705 -4.34942 -2.94275 -0.03200 -0.02695 -0.01109 0.00165 -0.00799 0.11489 0.19058 -0.04716 -0.48215 -0.31378 0.00030 -0.00048 -0.00003 0.00303 -0.00258 0.00013 0.00226 0.00544 0.00389 0.00294 -0.00074 0.00079 0.00011 -0.01205 0.00172 0.00120 0.00189 -0.01994 0.00085 0.00015 0.00081 -0.00255 -0.00041 0.01520 -0.01317 0.00056 0.01190 0.02715 -0.00074 -0.00079 -0.00489 -0.00089 0.00013 0.00162 -0.00141 0.00005 0.00141 0.00290 0.00010 0.00194 -0.00757 -0.00094 0.00110 0.00138 -0.00023 -0.00013 -0.00010 0.00237 0.00815 0.00213 -0.02487 -0.00332 0.01103 0.00004 0.00007 0.00000 -0.00004 0.00006 -0.00366 0.00136 -0.03743 -0.00475 0.01509 -0.00001 0.00015 -0.00001 -0.00024 0.00028 -0.00845 -0.00915 -0.01809 -0.00166 -0.00373 -0.00036 0.00021 -0.00055 0.00018 0.00138 0.19439 0.54501 -0.01321 0.00385 -0.01334 -0.00323 0.00208 -0.00225 0.00737 0.01434 0.98703 2.93608 0.00069 0.00007 0.00022 -0.00001 -0.00008 -0.00007 0.00003 -0.00002 0.00491 0.00920 0.00013 0.00019 -0.00097 0.00020 0.00113 0.00108 -0.00076 0.00050 0.00096 0.00624 0.00002 -0.00100 -0.00014 -0.00187 -0.01028 -0.00992 0.00737 -0.00436 0.00002 0.00048 0.02927 0.00365 0.00396 0.00005 -0.00004 -0.00007 0.00034 -0.00007 0.00180 0.00161 0.04309 0.00526 0.00566 0.00010 -0.00016 0.00006 0.00076 -0.00023 0.00804 -0.01976 0.01252 0.00051 0.00914 -0.00001 -0.00004 0.00083 0.00057 -0.00095 0.11693 0.40357 -0.03672 -0.00822 -0.05948 0.00061 -0.00146 0.00871 -0.01375 -0.00359 0.85793 2.40385 0.00223 0.00031 -0.00055 -0.00006 -0.00006 0.00004 0.00000 -0.00011 0.00015 0.00078 -0.00133 -0.00009 0.00023 0.00101 0.00078 -0.00062 0.00036 0.00122 0.00291 0.00872 -0.00014 -0.00043 0.00002 -0.00908 -0.00687 0.00531 -0.00278 -0.01076 0.00029 0.00109 0.00070 -0.00002 -0.00157 -0.00003 0.00003 -0.00000 0.00006 -0.00004 0.00961 -0.00022 0.00108 -0.00003 -0.00250 -0.00005 0.00005 -0.00000 0.00010 -0.00007 0.01577 -0.00040 0.02145 0.00187 -0.00940 -0.00045 0.00046 -0.00018 -0.00026 -0.00067 -0.01925 0.00369 0.01299 -0.00055 -0.00212 0.00867 -0.00894 0.00334 0.00680 0.01261 0.01185 0.00017 -0.00101 0.01537 0.00287 -0.07836 0.07952 -0.03081 -0.06126 -0.11344 0.00121 -0.00011 -0.00280 0.00018 0.00745 0.00015 -0.00009 0.00007 -0.00038 0.00023 -0.05308 0.00184 0.02878 0.00246 -0.01292 -0.00074 0.00077 -0.00040 -0.00027 -0.00116 -0.02656 0.00492 0.01720 -0.00123 -0.00286 0.01421 -0.01439 0.00539 0.01048 0.01991 0.01206 0.00142 -0.00207 0.02508 0.00472 -0.12859 0.12838 -0.05021 -0.09351 -0.17928 0.00126 -0.00016 0.01614 -0.00188 -0.02325 0.00019 -0.00116 -0.00102 0.00056 0.00076 -0.21256 0.01454 0.01500 0.00379 -0.00357 -0.00017 0.00133 -0.00036 0.00030 -0.00243 -0.06943 0.01448 -0.00718 -0.00351 -0.00310 0.01151 -0.01411 0.00621 0.01854 0.03424 0.01786 0.00344 -0.00383 0.01791 0.00415 -0.10842 0.11979 -0.06373 -0.16619 -0.29910 0.00118 0.00073 -0.38758 -0.08243 -0.03885 -0.05556 -0.00051 -0.02764 0.00205 0.08238 -8.33875 4.97081 -0.06221 -0.01790 -0.03968 0.00373 0.00757 0.00248 0.02968 -0.01877 -0.78704 -1.18560 -0.26642 -0.09487 -0.06251 -0.01895 0.00982 0.00042 0.05406 0.02598 0.01078 0.13332 -0.03026 0.00340 -0.00947 -0.00866 0.01857 -0.03177 -0.09593 -0.22695 0.00326 0.02129 0.00002 0.00005 0.00018 0.00147 0.00159 0.00529 0.00299 -0.00201 0.00390 0.00053 -0.00040 -0.00179 -0.00008 0.01138 -0.00229 0.01352 0.00557 -0.01537 -0.00105 -0.00021 -0.00020 -0.00006 0.00028 0.00819 0.00801 0.02790 0.01561 -0.01108 -0.00161 0.00031 -0.00008 -0.00002 -0.00058 0.00103 0.00090 0.00324 0.00179 -0.00137 0.00720 -0.00377 -0.00491 -0.00036 0.00096 -0.00125 0.00030 -0.00139 -0.00054 0.00168 -0.00899 -0.00139 -0.00119 -0.00005 0.00157 0.00001 -0.00002 0.00008 0.00000 -0.00001 0.01202 -0.00862 -0.00194 -0.00008 0.00249 0.00002 -0.00003 0.00013 0.00002 -0.00002 0.01980 -0.01422 -0.02494 -0.00201 0.01153 -0.00073 -0.00005 -0.00073 -0.00022 0.00083 -0.00239 -0.00492 -0.00773 -0.00243 -0.00076 0.01200 0.00050 0.01372 0.00377 -0.01397 0.03148 -0.03051 -0.00138 0.01473 0.00061 -0.10646 -0.00388 -0.12272 -0.03453 0.12395 0.00392 -0.00312 0.00660 0.00039 -0.00610 -0.00004 0.00009 -0.00022 -0.00044 0.00029 -0.06758 0.04460 -0.03606 -0.00275 0.01742 -0.00124 -0.00013 -0.00107 -0.00046 0.00153 -0.00289 -0.00563 -0.01105 -0.00351 -0.00019 0.01985 0.00074 0.02233 0.00572 -0.02231 0.04558 -0.03486 -0.00209 0.02317 0.00146 -0.17613 -0.00547 -0.19963 -0.05225 0.19800 0.00549 -0.00305 -0.00039 -0.00040 -0.00786 0.00117 0.00190 -0.00297 0.00661 -0.00680 -0.20988 0.25050 -0.05446 -0.00177 0.02759 -0.00161 -0.00078 -0.00183 -0.00188 0.00502 -0.00948 -0.04561 -0.03673 -0.00442 0.01554 0.01695 0.00140 0.02972 0.01281 -0.03881 0.09900 -0.14530 -0.00497 0.02423 0.00155 -0.14954 -0.00413 -0.27049 -0.09825 0.33128 0.01324 -0.01674 -0.20553 -0.06061 -0.05906 0.01943 0.01769 0.00832 0.06709 -0.08845 1.45312 -5.59160 -0.18933 -0.07960 -0.05976 -0.01221 0.01230 0.00368 0.03683 -0.00294 1.26122 -1.16680 -0.05167 0.00458 0.02915 0.01001 0.00146 0.01573 0.00280 -0.04887 2.36055 -4.45136 -0.00465 -0.00628 0.00532 -0.00479 -0.00525 -0.10199 -0.05295 0.24276 0.26204 -0.49397 -0.00038 0.00036 0.00063 -0.00129 -0.00017 0.00128 0.00039 -0.00136 0.00457 0.00018 -0.00095 0.00098 0.00089 -0.00407 0.01929 -0.01600 -0.02333 -0.01878 0.00042 -0.00009 0.00068 0.00168 -0.00038 -0.00676 0.00037 0.00554 0.00085 -0.00842 0.00040 -0.00066 -0.00573 -0.00028 0.00241 -0.00076 0.00019 0.00051 -0.00013 -0.00102 -0.01267 0.00625 -0.00517 -0.00048 0.00283 0.00040 -0.00214 0.00180 0.00253 0.00208 0.00183 -0.00007 -0.02395 -0.00274 0.00091 -0.00007 0.00016 -0.00008 0.00012 -0.00001 0.00261 -0.00430 -0.03545 -0.00385 0.00354 -0.00006 0.00036 0.00011 -0.00006 -0.00005 0.00565 -0.02144 -0.01184 -0.00038 0.01088 0.00053 0.00033 0.00064 -0.00116 -0.00034 0.31638 0.40336 0.03439 0.00862 -0.00281 0.00470 -0.00221 0.00250 -0.00723 -0.00470 1.93787 2.64416 0.00032 0.00003 -0.00009 0.00001 0.00002 0.00003 0.00013 -0.00002 0.00602 0.00597 0.00066 0.00005 0.00011 -0.00019 -0.00051 -0.00145 -0.00123 0.00023 0.00440 0.00479 -0.00008 0.00027 0.00021 0.00174 0.00445 0.01311 0.01108 -0.00196 0.00041 0.00046 0.01195 0.00107 -0.00546 0.00007 0.00004 0.00009 0.00004 -0.00012 0.00481 -0.00080 0.01742 0.00147 -0.00774 -0.00005 -0.00008 0.00019 -0.00024 0.00012 0.00034 -0.00050 0.00093 -0.00229 -0.00364 -0.00029 -0.00020 0.00010 -0.00014 -0.00067 0.37328 -0.05016 -0.00762 -0.01274 -0.01134 -0.00298 0.00052 -0.00071 0.00187 -0.00131 1.76384 0.14366 0.00040 0.00006 0.00001 -0.00002 0.00004 -0.00002 -0.00001 -0.00010 0.00782 0.00054 0.00170 -0.00000 -0.00047 0.00069 -0.00071 0.00040 0.00071 0.00150 -0.00414 0.00257 0.00000 0.00122 0.00018 -0.00625 0.00631 -0.00360 -0.00666 -0.01340 -0.00051 0.00023 0.01298 0.00102 -0.00384 -0.00004 -0.00005 0.00009 0.00010 -0.00014 0.00303 0.00022 0.01364 0.00189 -0.00103 -0.00025 -0.00010 0.00019 -0.00008 0.00025 -0.00333 0.00844 0.00715 -0.00005 -0.00485 0.00058 0.00068 -0.00011 0.00208 -0.00302 0.44053 -0.53582 -0.05301 0.01092 0.06265 0.00427 -0.00200 0.00092 -0.00974 -0.00271 2.33459 -3.80936 -0.00103 -0.00012 0.00054 -0.00005 0.00001 -0.00008 0.00004 0.00006 -0.00209 0.00228 0.00026 0.00000 0.00039 0.00092 0.00003 0.00150 0.00038 -0.00159 -0.01129 0.00959 -0.00001 0.00094 0.00014 -0.00830 -0.00029 -0.01326 -0.00377 0.01477 -0.00118 0.00109 0.00298 -0.00004 -0.00565 -0.00003 0.00009 -0.00009 -0.00000 -0.00001 0.00946 -0.00524 0.00479 -0.00006 -0.00910 -0.00004 0.00015 -0.00015 -0.00000 -0.00002 0.01549 -0.00866 0.03977 0.00269 -0.02719 -0.00000 -0.00048 0.00063 0.00053 -0.00022 0.01269 -0.01619 0.03466 0.00285 -0.01217 0.00040 0.00930 -0.01147 -0.01070 0.00241 0.01206 -0.00613 0.00536 0.00128 -0.00381 -0.00428 -0.08602 0.10500 0.09658 -0.02329 0.00052 -0.00066 -0.01253 0.00017 0.02612 0.00014 -0.00050 0.00045 -0.00004 -0.00010 -0.04822 0.02769 0.05757 0.00395 -0.03951 0.00001 -0.00061 0.00081 0.00107 -0.00044 0.01911 -0.02419 0.04636 0.00394 -0.01554 0.00059 0.01443 -0.01741 -0.01607 0.00390 0.01826 -0.00947 0.00764 0.00283 -0.00576 -0.00659 -0.13336 0.15924 0.14398 -0.03580 0.00050 -0.00064 -0.02465 0.00112 0.05209 -0.00008 -0.00071 0.00146 -0.00234 0.00334 -0.18178 0.09967 0.06746 0.00395 -0.05979 -0.00066 -0.00201 0.00148 -0.00024 0.00182 0.03935 -0.06382 0.08606 0.00411 -0.04685 0.00111 0.01618 -0.02425 -0.02332 0.00341 0.02160 0.00264 0.01178 -0.00086 -0.00858 -0.00683 -0.14183 0.21898 0.22159 -0.05162 0.00150 -0.00123 -0.02908 -0.01967 0.03887 -0.00699 -0.00259 0.00301 -0.01110 0.01555 1.06098 -1.27772 0.10033 0.01229 -0.04496 -0.00035 0.00000 0.00708 -0.00744 0.00753 -0.46193 0.46783 0.18040 0.01966 -0.07946 0.00338 0.00284 -0.01739 -0.01358 -0.00551 -0.01944 0.27065 0.02041 -0.00982 -0.00675 0.00806 -0.02100 0.13028 0.19100 -0.05652 -0.00666 0.04172 0.00019 -0.00017 0.00053 0.00309 0.00075 0.00111 -0.00248 -0.00398 0.00327 -0.00020 -0.00069 0.00151 0.00008 -0.00953 -0.00202 -0.00984 -0.00314 0.01574 0.00047 -0.00040 0.00019 -0.00125 -0.00038 0.01551 0.00375 0.00528 -0.01364 -0.01953 -0.00120 0.00037 -0.00057 -0.00009 0.00033 0.00168 0.00039 0.00054 -0.00145 -0.00212 0.00424 -0.00193 -0.00580 -0.00092 0.00033 0.00113 0.00029 0.00115 0.00026 -0.00188 0.00440 -0.00474 0.01119 0.00161 -0.00106 0.00001 -0.00005 -0.00011 0.00029 0.00021 -0.00300 0.00254 0.01714 0.00245 -0.00180 0.00001 -0.00007 -0.00018 0.00048 0.00034 -0.00406 0.00409 -0.07479 -0.00982 0.00714 -0.00033 0.00104 -0.00094 0.00264 -0.00021 -0.01033 0.00596 -0.02766 -0.00672 -0.01478 0.00014 -0.00472 0.01140 -0.02507 0.00631 -0.01310 0.00912 -0.00512 0.01446 -0.00260 -0.00223 0.02881 -0.07225 0.15324 -0.03692 -0.00242 0.00296 -0.04182 -0.00608 0.00880 -0.00004 0.00022 0.00090 -0.00180 -0.00044 -0.01024 -0.00847 -0.10849 -0.01419 0.01495 -0.00043 0.00152 -0.00191 0.00505 -0.00097 -0.00548 0.00776 -0.03676 -0.01035 -0.02575 0.00016 -0.00750 0.01931 -0.04274 0.01046 -0.01919 0.00845 -0.00757 0.02479 -0.00443 -0.00341 0.04358 -0.12483 0.26043 -0.06122 -0.00412 0.00356 0.00145 -0.00165 0.04768 0.00181 -0.00242 -0.00321 0.00233 -0.01907 0.28912 -0.07351 0.05665 0.01166 0.03869 -0.00157 -0.00120 -0.00379 0.01633 0.00214 -0.11154 0.07978 0.01856 0.00007 0.07911 0.00298 -0.00595 0.02758 -0.07459 0.01593 -0.05579 0.13604 -0.00107 0.02522 0.01059 0.00476 0.02562 -0.13698 0.39744 -0.11146 -0.00831 0.02903 0.07623 0.04971 0.07061 0.00334 -0.00511 -0.00284 0.00302 -0.00254 1.23385 -0.15484 0.15647 0.03656 0.05025 -0.00027 -0.00489 -0.00506 0.00656 0.01160 0.15871 -0.10097 0.08601 0.00001 0.00481 -0.00054 0.00673 0.01312 -0.02250 0.01332 -0.08168 0.54427 0.00855 0.01350 0.00212 0.00489 -0.00451 0.01056 0.08044 -0.02371 -0.00456 0.07685 -0.00165 0.01235 0.00061 -0.00003 0.00139 0.00011 0.00036 0.00187 0.01144 -0.00186 -0.00327 -0.02345 0.00284 -0.00315 0.02329 -0.00887 0.00662 -0.00383 0.00109 -0.00103 0.00043 0.03993 0.00588 -0.00138 0.00834 -0.00042 0.00241 0.00944 -0.00394 0.00037 -0.02827 0.00169 -0.04174 -0.00066 0.00106 0.00035 -0.00010 0.00171 0.00640 -0.00141 -0.04270 -0.00103 0.01086 0.00020 -0.00254 0.00074 -0.00088 0.00061 0.00417 -0.00288 -0.02543 -0.00247 0.00850 0.00002 0.00014 -0.00006 -0.00054 0.00006 0.00977 -0.00972 -0.01617 -0.00389 -0.01156 -0.00028 -0.00006 0.00004 -0.00164 0.00093 0.03099 -0.04807 0.11820 0.00775 -0.10708 0.00225 0.00089 0.00019 0.00345 -0.00840 0.01718 0.12506 0.04045 -0.07937 -0.26908 -0.01359 0.01264 0.01616 0.01285 -0.00208 2.22167 -1.16149 -0.01401 -0.00077 0.01031 0.00004 0.00007 -0.00008 0.00013 -0.00004 -0.00249 0.00128 -0.00147 0.00031 0.00164 0.00004 0.00095 -0.00149 -0.00113 0.00038 -0.00546 0.00595 -0.00033 -0.00321 0.00068 -0.00066 -0.00791 0.01174 0.01305 -0.00342 -0.00035 0.00039 -0.00017 0.00004 0.00132 0.00002 0.00000 -0.00003 0.00007 -0.00001 -0.00362 0.00238 -0.00047 0.00011 0.00382 0.00005 0.00001 -0.00009 0.00020 -0.00002 -0.01041 0.00685 0.00088 -0.00024 -0.00792 -0.00010 -0.00003 0.00019 -0.00040 -0.00000 0.02142 -0.01407 0.00234 -0.00036 -0.01483 -0.00022 -0.00004 0.00040 -0.00086 0.00022 0.04306 -0.02851 -0.00528 0.00061 0.02951 0.00040 0.00015 -0.00085 0.00198 -0.00086 -0.08338 0.05543 -0.00064 0.00084 0.02761 0.00082 -0.00034 0.00029 -0.00112 0.00116 -0.09255 0.06334 0.12561 0.03719 0.06518 0.00191 -0.00292 0.01056 -0.00026 0.03364 -0.94086 1.21186 -0.07510 0.00396 0.09248 0.00278 -0.00270 -0.00134 -0.00008 -0.00172 -0.21391 0.23476 0.02719 -0.00909 -0.05120 -0.00172 -0.00170 0.00054 0.01142 0.00202 -0.00105 0.13844 0.00059 0.04200 -0.00800 -0.00177 0.00573 0.00429 -0.03969 0.02612 -0.02459 0.04136 -0.15503 -0.01675 0.10728 -0.00004 -0.00026 -0.00053 0.00016 0.00019 0.01048 -0.00826 -0.02132 -0.02862 -0.06264 -0.00082 -0.00528 0.00442 -0.00855 0.00233 0.00155 0.00579 -0.02037 0.14480 -0.01569 0.00263 0.02568 -0.02207 0.05102 -0.01550 0.00079 0.00025 0.05866 0.00632 -0.04078 0.00002 0.00011 0.00019 -0.00006 -0.00009 -0.00411 0.00316 0.00803 0.01081 0.02357 0.00032 0.00199 -0.00168 0.00324 -0.00091 -0.00066 -0.00210 0.00772 -0.05482 0.00592 -0.00102 -0.00971 0.00839 -0.01935 0.00602 -0.00033 -0.00007 0.17732 0.01929 -0.12162 0.00002 0.00024 0.00072 -0.00016 -0.00009 -0.01206 0.01018 0.02444 0.03276 0.07346 0.00092 0.00616 -0.00530 0.01051 -0.00264 -0.00187 -0.00770 0.02309 -0.16485 0.01828 -0.00284 -0.02970 0.02642 -0.06212 0.01792 -0.00079 -0.00043 0.39191 0.04186 -0.27954 0.00022 0.00091 0.00105 -0.00041 -0.00135 -0.03411 0.02388 0.05148 0.07183 0.15085 0.00231 0.01314 -0.01169 0.02216 -0.00738 -0.00409 -0.01459 0.05189 -0.36924 0.03853 -0.00767 -0.06544 0.05848 -0.13573 0.04643 -0.00310 -0.00015 0.25803 0.02794 -0.19202 -0.00055 0.00028 0.00301 -0.00395 0.00471 -0.00515 0.02933 0.03323 0.05084 0.11770 0.00191 0.00918 -0.01160 0.02806 -0.00181 -0.08053 0.05574 0.03305 -0.24071 0.02883 -0.00371 -0.04882 0.07059 -0.17369 0.04179 -0.01027 0.00816 -0.00350 -0.00258 0.00293 0.00001 0.00052 -0.00442 0.01104 -0.00340 -0.00058 0.00272 0.00178 -0.00593 0.00024 -0.00005 0.00067 -0.00128 0.00886 -0.00405 -0.00032 0.00018 0.00205 -0.00710 0.00105 -0.00005 0.00236 -0.01568 0.03659 -0.01133 0.00020 -0.00054 -0.00012 -0.00167 -0.00931 -0.00014 0.00054 -0.00308 0.00633 -0.00146 -0.00250 0.00258 0.00437 0.00153 0.00127 0.00004 -0.00018 0.00023 -0.00055 0.00056 -0.00520 0.00545 -0.00004 -0.00001 -0.00042 0.00002 -0.00004 0.00003 -0.00002 0.00001 -0.00175 0.00008 -0.00011 -0.00002 -0.00123 0.00004 -0.00010 0.00010 -0.00005 0.00003 -0.00505 0.00025 0.00023 0.00004 0.00260 -0.00007 0.00021 -0.00021 0.00009 -0.00011 0.01039 -0.00067 0.00058 0.00011 0.00451 -0.00023 0.00040 -0.00037 0.00031 0.00005 0.02080 -0.00041 0.00123 0.00006 -0.00982 0.00061 -0.00083 0.00066 -0.00102 -0.00061 -0.04011 -0.00143 -0.00644 -0.00067 -0.00830 -0.00107 -0.00020 0.00042 0.00310 0.00359 -0.05536 0.01856 0.11943 0.03818 0.08547 -0.00827 0.00138 -0.00034 -0.00331 0.03030 -0.67596 -0.19772 -0.01503 -0.00049 -0.01105 -0.00257 0.00295 0.00284 -0.00444 0.00446 -0.19212 -0.00110 -0.02242 0.00344 -0.09749 -0.00095 -0.00092 0.00054 0.01044 0.00008 0.01608 -0.02950 0.00311 -0.05216 -0.01620 -0.00676 0.01130 -0.00032 -0.04896 0.00087 0.01161 -0.00307 -0.09587 -0.01779 -0.07563 -0.00169 0.00371 -0.00102 0.00141 -0.00021 0.00225 -0.00024 -0.04657 0.01953 -0.17925 0.00110 -0.00670 0.00439 -0.00831 0.00161 -0.00539 0.00953 0.01822 -0.17086 -0.02551 -0.01810 0.04926 -0.02368 0.05174 -0.00516 -0.00093 0.00173 0.03606 0.00669 0.02866 0.00064 -0.00141 0.00039 -0.00053 0.00007 -0.00088 0.00012 0.01759 -0.00739 0.06771 -0.00042 0.00253 -0.00166 0.00314 -0.00060 0.00216 -0.00373 -0.00689 0.06462 0.00963 0.00688 -0.01866 0.00895 -0.01966 0.00184 0.00037 -0.00067 0.11089 0.02057 0.08603 0.00196 -0.00431 0.00123 -0.00180 0.00033 -0.00276 0.00001 0.05363 -0.02208 0.20637 -0.00121 0.00774 -0.00529 0.01012 -0.00209 0.00595 -0.01095 -0.02059 0.19405 0.02944 0.02058 -0.05654 0.02858 -0.06236 0.00711 0.00103 -0.00201 0.23247 0.04332 0.19648 0.00432 -0.00933 0.00257 -0.00338 0.00004 -0.00730 0.00198 0.11747 -0.04968 0.44949 -0.00300 0.01695 -0.01140 0.02165 -0.00359 0.01871 -0.03071 -0.04612 0.43378 0.06367 0.04731 -0.12687 0.06111 -0.13857 0.00894 0.00316 -0.00539 0.15484 0.03144 0.12953 0.00113 -0.00562 0.00249 -0.00275 0.00732 -0.03482 -0.01580 0.08019 -0.03137 0.29642 -0.00077 0.01207 -0.01359 0.02826 -0.01022 0.04545 -0.02916 -0.02794 0.26907 0.04249 0.02764 -0.08583 0.07717 -0.17553 0.03927 0.00850 -0.00681 -0.00251 -0.00266 -0.00069 -0.00022 0.00012 0.00285 -0.00674 0.00196 0.00185 0.00050 -0.00307 0.01418 0.00098 -0.00014 0.00205 -0.01280 0.03418 -0.00481 -0.00033 0.00084 0.00086 -0.00572 -0.00108 -0.00100 0.00089 0.00807 -0.01828 0.00704 0.00055 -0.00095 0.00499 0.00006 0.00670 -0.00009 0.00014 0.00088 -0.00222 0.00099 -0.00564 0.00170 -0.00455 -0.00299 0.00790 -0.00006 -0.00018 0.00247 -0.00604 0.00154 -0.00247 0.00291 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 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 4 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 5 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 6 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 7 H 1S 2S 3S 4S 5PX 5PY 5PZ 8 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 9 H 1S 2S 3S 4S 5PX 5PY 5PZ 10 H 1S 2S 3S 4S 5PX 5PY 5PZ 11 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 12 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 13 H 1S 2S 3S 4S 5PX 5PY 5PZ 14 H 1S 2S 3S 4S 5PX 5PY 5PZ 15 H 1S 2S 3S 4S 5PX 5PY 5PZ 16 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 17 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 18 H 1S 2S 3S 4S 5PX 5PY 5PZ 19 Cl 1S 2S 3S 4S 5S 6S 7S 7PX 7PY 7PZ 8PX 8PY 8PZ 9PX 9PY 9PZ 10PX 10PY 10PZ 11PX 11PY 11PZ 12PX 12PY 12PZ 13D 0 13D+1 13D-1 13D+2 13D-2 20 Cl 1S 2S 3S 4S 5S 6S 7S 7PX 7PY 7PZ 8PX 8PY 8PZ 9PX 9PY 9PZ 10PX 10PY 10PZ 11PX 11PY 11PZ 12PX 12PY 12PZ 13D 0 13D+1 13D-1 13D+2 13D-2 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 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 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|4 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|5 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|6 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|7 H 1S|2S|3S|4S|5PX|5PY|5PZ|8 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|9 H 1S|2S|3S|4S|5PX|5PY|5PZ|10 H 1S|2S|3S|4S|5PX|5PY|5PZ|11 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|12 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|13 H 1S|2S|3S|4S|5PX|5PY|5PZ|14 H 1S|2S|3S|4S|5PX|5PY|5PZ|15 H 1S|2S|3S|4S|5PX|5PY|5PZ|16 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|17 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|18 H 1S|2S|3S|4S|5PX|5PY|5PZ|19 Cl 1S|2S|3S|4S|5S|6S|7S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|11PX|11PY|11PZ|12PX|12PY|12PZ|13D 0|13D+1|13D-1|13D+2|13D-2|20 Cl 1S|2S|3S|4S|5S|6S|7S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|11PX|11PY|11PZ|12PX|12PY|12PZ|13D 0|13D+1|13D-1|13D+2|13D-2 1.10456 0.88456 0.24176 0.23910 0.14663 0.77159 0.54519 0.53630 0.38388 0.45988 0.26352 0.16227 0.30656 -0.07527 -0.08349 -0.12719 0.03191 0.00399 0.00576 0.01015 0.01827 0.02220 1.10436 0.88488 0.22540 0.23343 0.17785 0.74589 0.53499 0.53504 0.46082 0.44408 0.15430 0.21769 0.39563 0.05740 0.16465 -0.19444 -0.08423 0.00390 0.00528 0.00757 0.01648 0.01938 1.10452 0.88475 0.24701 0.20688 0.17064 0.76749 0.56178 0.48682 0.44783 0.38462 0.13289 0.02667 0.30729 1.16267 0.49650 0.22322 0.10565 0.00617 0.01296 0.01613 0.03325 0.02513 1.10434 0.88482 0.23116 0.23697 0.17377 0.75853 0.52842 0.53922 0.45707 0.40032 0.16582 0.25890 0.36488 -0.82875 0.05918 -0.23146 -0.10899 0.00467 0.00781 0.01095 0.02155 0.02556 1.10447 0.88459 0.24628 0.23071 0.15809 0.76557 0.54300 0.52773 0.40991 0.44827 0.24063 0.15018 0.32081 -0.22815 0.13022 -0.14411 0.02960 0.00398 0.00705 0.00812 0.02048 0.01900 1.10440 0.88465 0.23886 0.23697 0.16484 0.75850 0.53248 0.53466 0.42795 0.45360 0.14513 0.25258 0.34489 0.39173 -0.05084 0.17324 0.00411 0.00375 0.00849 0.00460 0.02238 0.01796 0.27082 0.47466 0.01967 0.00794 0.01401 0.00700 0.00456 1.10456 0.88452 0.23807 0.24520 0.14488 0.77308 0.54120 0.54401 0.38076 0.46056 0.20344 0.16634 0.29527 -0.82350 0.01332 -0.00365 0.03847 0.00403 0.00589 0.01041 0.01721 0.02264 0.26952 0.48402 -0.00331 -0.03946 0.01237 0.00743 0.00504 0.26984 0.48443 -0.01008 -0.05336 0.00405 0.01539 0.00531 1.10433 0.88466 0.23535 0.23880 0.17234 0.75204 0.53099 0.53319 0.44676 0.48285 0.25151 0.17887 0.35347 0.32806 0.13231 0.10529 -0.00962 0.00394 0.00557 0.00671 0.01627 0.02209 1.10455 0.88454 0.23048 0.24301 0.15519 0.77292 0.51115 0.54354 0.40406 0.44811 0.08506 0.20061 0.27927 -0.27336 0.01092 0.09047 0.01948 0.00531 0.01902 0.00581 0.02711 0.02366 0.26861 0.48148 -0.01230 -0.05589 0.01293 0.00726 0.00430 0.26806 0.47827 -0.02327 -0.05166 0.01297 0.00686 0.00541 0.26809 0.47589 -0.02699 -0.06191 0.00312 0.01628 0.00467 1.09526 0.89583 0.27103 0.26220 0.27258 0.85322 0.61476 0.60143 0.62436 0.65916 0.31610 0.30177 0.52681 -0.18752 -0.16929 -0.13569 -0.04485 0.00259 0.00351 0.00560 0.00997 0.01121 1.13305 0.85447 0.19348 0.15595 0.06314 0.67992 0.46115 0.40781 0.20385 0.23568 0.10640 -0.02542 0.14052 0.00329 0.11378 -0.00077 0.07189 0.01172 0.02685 0.02982 0.06018 0.05671 0.25707 0.39933 0.05010 0.07684 0.02633 0.01159 0.01001 0.77754 1.18740 0.89485 1.08791 0.99173 1.07339 -0.07579 -0.09519 -0.03479 -0.07742 1.54118 1.54710 1.54275 0.43045 0.41918 0.42762 0.38845 0.33276 0.37201 1.07382 0.85414 1.03180 0.49776 0.22738 0.50582 0.00288 0.00036 0.00374 0.00882 0.00395 0.77754 1.18740 0.89480 1.08795 0.99458 1.06562 -0.07693 -0.03107 -0.08248 -0.07916 1.54555 1.54247 1.54293 0.42203 0.42781 0.42725 0.34835 0.37945 0.37027 0.90334 1.00651 1.02453 0.30176 0.42264 0.49504 0.00307 0.00304 0.00112 0.00480 0.00853 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 C C C C C C H C H H C C H H H N B H Cl Cl 0.147858 -0.110363 -1.810885 0.935273 0.123572 -0.654955 0.201343 0.733288 0.264397 0.284416 -0.775803 0.209087 0.293613 0.303361 0.320847 0.209969 0.016538 0.168742 0.058421 0.081283 1.00000 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] alpha 49 50 51 52 53 54 55 56 57 58 O O O O O V V V V V -0.478877 -0.477605 -0.461286 -0.433004 -0.415586 -0.118182 -0.075347 -0.054547 -0.008204 0.005224 2.210059 2.362111 2.525939 1.191001 1.300221 1.391958 1.397087 1.364555 0.216004 0.169468 1.343308741692D+03 8.0796 -1.3984 -0.3032 8.2053 -54.8664 -57.2128 -88.1749 -6.1611 -1.0197 3.4945 11.8850 9.5386 -21.4236 -6.1611 -1.0197 3.4945 103.8532 -3.7669 6.3824 34.7824 -8.3492 0.1464 -8.5126 -3.4383 1.8127 4.9627 -2168.5794 -1013.5235 -119.0029 -42.7601 -4.6088 -18.3787 -38.1097 9.5336 -79.9731 -527.6654 -473.8773 -245.8094 -8.0687 -3.1737 7.3385 0 -1347.0619662 6.748E-9 1.58E-5 8.8362105,7.0916843,-15.9278948,-4.5806341,-0.7581008,2.5981028 C01 [X(C9H7B1Cl2N1)] 3.2194326 -0.4987682 -0.0601434 -0.000008508 -0.000004591 -0.000016639 0.000003965 -0.000025396 0.000006631 0.000007696 -0.000020577 -0.000016946 0.000003888 0.000008520 -0.000002447 -0.000011795 0.000009372 -0.000010159 -0.000007926 0.000007359 -0.000019202 -0.000014128 -0.000004064 -0.000026775 -0.000002172 0.000018314 0.000009411 -0.000011459 0.000009804 -0.000014910 -0.000020559 0.000001386 -0.000028063 0.000001083 -0.000002533 0.000025255 0.000021863 -0.000005128 0.000012775 -0.000002389 0.000016408 0.000008100 0.000010617 0.000013575 0.000023608 0.000018196 0.000002228 0.000033910 0.000007680 0.000020780 0.000031761 0.000007875 0.000020680 0.000000075 0.000013789 -0.000009784 0.000006735 0.000004764 -0.000043609 -0.000007475 -0.000022480 -0.000012745 -0.000015644 203.82 AuxInfo=1/0/N:6,11,5,8,1,12,4,2,3,17,19,20,16/E:(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3/rA:20nC3C3C3C3C3C3HC3HHC3C3HHHNBHClCl/rB:s1;s2;s3;s4;s1s5;s1;s4;s5;s6;s8;s11;s8;s11;s12;s3s12;s2;s16;s17;s17;/rC:-.4304,1.9193,.197;-.4602,.5404,.0411;.8143,-.1021,-.0372;2.0219,.6333,.0369;1.9659,2.0408,.1928;.7584,2.6695,.2713;-1.368,2.4566,.2636;3.2527,-.0507,-.0439;2.8936,2.5981,.2471;.7015,3.7436,.3916;3.2968,-1.4165,-.1958;2.0949,-2.106,-.265;4.1723,.5214,.0147;4.23,-1.9572,-.2609;2.0328,-3.1795,-.3856;.9385,-1.4578,-.1855;-1.862,-.1487,-.0399;.0777,-1.9993,-.2439;-2.087,-1.8845,-.3242;-3.3359,.7719,.1442; Gaussian 16 GINC-IRENE5568 PENASFRA cl_quinoline_prot AS64L-G16RevC.02 RwB97XD GenECP Freq #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RwB97XD/GenECP Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 203.82 AuxInfo=1/0/N:6,11,5,8,1,12,4,2,3,17,19,20,16/E:(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3/rA:20nC3C3C3C3C3C3HC3HHC3C3HHHNBHClCl/rB:s1;s2;s3;s4;s1s5;s1;s4;s5;s6;s8;s11;s8;s11;s12;s3s12;s2;s16;s17;s17;/rC:-.4304,1.9193,.197;-.4602,.5404,.0411;.8143,-.1021,-.0372;2.0219,.6333,.0369;1.9659,2.0408,.1928;.7584,2.6695,.2713;-1.368,2.4566,.2636;3.2527,-.0507,-.0439;2.8936,2.5981,.2471;.7015,3.7436,.3916;3.2968,-1.4165,-.1958;2.0949,-2.106,-.265;4.1723,.5214,.0147;4.23,-1.9572,-.2609;2.0328,-3.1795,-.3856;.9385,-1.4578,-.1855;-1.862,-.1487,-.0399;.0777,-1.9993,-.2439;-2.087,-1.8845,-.3242;-3.3359,.7719,.1442; cl_quinoline_prot Redundant internal coordinates found in file. (old form). Charge = 1 Multiplicity = 1 Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 1 1 1 2 2 3 3 4 4 5 5 6 8 8 11 11 12 12 16 17 17 2 6 7 3 17 4 16 5 8 6 9 10 11 13 12 14 15 16 18 19 20 1.388 1.4076 1.0827 1.4295 1.5641 1.4158 1.3694 1.4172 1.4104 1.3637 1.0836 1.0823 1.375 1.0846 1.3873 1.0804 1.082 1.3281 1.0187 1.7732 1.7475 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 4 4 11 8 8 12 11 11 15 3 3 12 2 2 19 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 8 8 8 11 11 11 12 12 12 16 16 16 17 17 17 6 7 7 3 17 17 4 16 16 5 8 8 6 9 9 5 10 10 11 13 13 12 14 14 15 16 16 12 18 18 19 20 20 123.6095 118.7709 117.6194 115.6912 117.5634 126.7442 121.609 122.1235 116.2674 119.208 119.3029 121.489 119.9437 118.8521 121.2042 119.9382 119.3678 120.6939 121.0679 118.7539 120.1781 118.1224 122.1045 119.7731 123.2537 120.5861 116.1601 124.6529 117.1214 118.2246 123.589 121.2231 115.1876 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 6 6 7 7 2 2 7 7 1 1 17 17 1 1 3 3 2 2 16 16 2 2 4 4 3 3 8 8 3 3 5 5 4 4 9 9 4 4 13 13 8 8 14 14 11 11 15 15 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 8 8 8 8 11 11 11 11 12 12 12 12 2 2 2 2 6 6 6 6 3 3 3 3 17 17 17 17 4 4 4 4 16 16 16 16 5 5 5 5 8 8 8 8 6 6 6 6 11 11 11 11 12 12 12 12 16 16 16 16 3 17 3 17 5 10 5 10 4 16 4 16 19 20 19 20 5 8 5 8 12 18 12 18 6 9 6 9 11 13 11 13 1 10 1 10 12 14 12 14 15 16 15 16 3 18 3 18 0.2609 -179.3612 -179.9008 0.4771 -0.1727 179.8891 179.9873 0.049 -0.1803 179.7197 179.4017 -0.6984 176.6205 -3.1803 -2.9545 177.2447 0.0162 179.9121 -179.8893 0.0066 179.9269 0.3293 -0.1681 -179.7657 0.0836 -179.8911 -179.8099 0.2154 0.1371 -179.9514 -179.9694 -0.058 -0.0113 179.9261 179.9628 -0.0997 -0.1283 179.9075 179.9615 -0.0026 179.8902 -0.026 -0.1448 179.939 0.1825 179.7761 -179.7394 -0.1459 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. local minimum 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. 0.00531 0.01174 0.01549 0.01631 0.01817 0.01873 0.02120 0.02180 0.02354 0.02460 0.02584 0.02625 0.02864 0.02909 0.03112 0.03233 0.06826 0.10946 0.11492 0.12072 0.12310 0.12629 0.13178 0.13622 0.14930 0.16773 0.18517 0.18938 0.19489 0.20341 0.20627 0.21681 0.22335 0.26318 0.28434 0.29042 0.30853 0.34771 0.36264 0.36473 0.36850 0.36993 0.37087 0.37216 0.40089 0.41468 0.42228 0.44292 0.46582 0.48608 0.51668 0.52546 0.55464 0.72065 Angle between quadratic step and forces= 68.51 degrees. 1 2 0.00050463 0.00000028 0.00000026 0.00000001 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 2.62302 2.66003 2.04608 2.70130 2.95579 2.67545 2.58774 2.67817 2.66522 2.57702 2.04762 2.04529 2.59842 2.04959 2.62160 2.04169 2.04472 2.50977 1.92499 3.35091 3.30223 2.15739 2.07294 2.05285 2.01919 2.05187 2.21210 2.12248 2.13146 2.02925 2.08057 2.08223 2.12038 2.09341 2.07436 2.11541 2.09332 2.08336 2.10651 2.11303 2.07265 2.09750 2.06163 2.13112 2.09044 2.15118 2.10462 2.02738 2.17560 2.04415 2.06341 2.15703 2.11574 2.01040 0.00455 -3.13044 -3.13986 0.00833 -0.00301 3.13966 3.14137 0.00086 -0.00315 3.13670 3.13115 -0.01219 3.08261 -0.05551 -0.05157 3.09350 0.00028 3.14006 -3.13966 0.00012 3.14032 0.00575 -0.00293 -3.13750 0.00146 -3.13969 -3.13827 0.00376 0.00239 -3.14075 -3.14106 -0.00101 -0.00020 3.14030 3.14094 -0.00174 -0.00224 3.13998 3.14092 -0.00005 3.13968 -0.00045 -0.00253 3.14053 0.00319 3.13768 -3.13704 -0.00255 0.00001 0.00000 0.00000 0.00002 0.00001 0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00003 0.00002 0.00001 -0.00000 -0.00001 -0.00000 -0.00002 0.00003 -0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00002 0.00001 0.00002 0.00000 0.00002 -0.00005 0.00002 -0.00002 -0.00001 0.00000 -0.00000 0.00003 0.00000 -0.00002 0.00000 -0.00000 0.00003 0.00000 0.00015 0.00005 0.00001 0.00001 -0.00002 0.00000 -0.00007 0.00007 -0.00002 0.00000 0.00002 0.00002 -0.00003 0.00001 0.00000 -0.00002 0.00001 -0.00001 -0.00002 0.00003 0.00001 -0.00001 -0.00000 0.00001 -0.00002 0.00001 0.00002 -0.00003 0.00001 0.00002 0.00000 -0.00002 -0.00007 0.00008 -0.00001 0.00004 0.00033 -0.00004 0.00024 -0.00009 -0.00008 -0.00001 0.00000 0.00010 -0.00011 -0.00021 -0.00043 -0.00138 -0.00113 -0.00106 -0.00081 -0.00020 -0.00026 0.00000 -0.00006 0.00029 0.00067 0.00008 0.00047 0.00015 0.00014 0.00021 0.00020 -0.00005 -0.00000 -0.00011 -0.00007 -0.00001 -0.00002 0.00001 -0.00000 0.00014 0.00000 0.00009 -0.00005 -0.00007 -0.00012 0.00006 0.00001 0.00001 -0.00038 -0.00004 -0.00043 0.00001 0.00002 0.00001 0.00002 0.00000 0.00002 -0.00005 0.00002 -0.00002 -0.00001 0.00000 -0.00000 0.00003 0.00000 -0.00002 0.00000 -0.00000 0.00003 0.00000 0.00015 0.00005 0.00001 0.00001 -0.00002 0.00000 -0.00007 0.00007 -0.00002 0.00000 0.00002 0.00002 -0.00003 0.00001 0.00000 -0.00002 0.00001 -0.00001 -0.00002 0.00003 0.00001 -0.00001 -0.00000 0.00001 -0.00002 0.00001 0.00002 -0.00003 0.00001 0.00002 0.00000 -0.00002 -0.00007 0.00008 -0.00001 0.00004 0.00033 -0.00004 0.00024 -0.00009 -0.00008 -0.00001 0.00000 0.00010 -0.00011 -0.00021 -0.00043 -0.00138 -0.00113 -0.00106 -0.00081 -0.00020 -0.00026 0.00000 -0.00006 0.00029 0.00067 0.00008 0.00047 0.00015 0.00014 0.00021 0.00020 -0.00005 -0.00000 -0.00011 -0.00007 -0.00001 -0.00002 0.00001 -0.00000 0.00014 0.00000 0.00009 -0.00005 -0.00007 -0.00012 0.00006 0.00001 0.00001 -0.00038 -0.00004 -0.00043 2.62303 2.66005 2.04609 2.70131 2.95579 2.67547 2.58769 2.67819 2.66520 2.57702 2.04762 2.04529 2.59845 2.04959 2.62158 2.04170 2.04472 2.50980 1.92499 3.35106 3.30228 2.15741 2.07295 2.05282 2.01919 2.05180 2.21217 2.12246 2.13146 2.02926 2.08059 2.08220 2.12039 2.09342 2.07434 2.11543 2.09330 2.08334 2.10654 2.11304 2.07264 2.09750 2.06164 2.13111 2.09044 2.15120 2.10460 2.02739 2.17562 2.04415 2.06339 2.15696 2.11582 2.01039 0.00460 -3.13011 -3.13991 0.00857 -0.00311 3.13957 3.14137 0.00086 -0.00304 3.13659 3.13094 -0.01262 3.08123 -0.05664 -0.05262 3.09270 0.00008 3.13979 -3.13966 0.00006 3.14060 0.00642 -0.00285 -3.13704 0.00161 -3.13955 -3.13806 0.00396 0.00234 -3.14075 -3.14117 -0.00108 -0.00021 3.14029 3.14095 -0.00174 -0.00210 3.13998 3.14101 -0.00009 3.13961 -0.00058 -0.00246 3.14054 0.00320 3.13730 -3.13708 -0.00297 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000029 0.000007 0.003709 0.000505 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -3.297753e-08 0.000000 1.388040 0.000000 2.385448 1.429464 0.000000 2.773619 2.483801 1.415788 0.000000 2.399396 2.856645 2.443613 1.417226 0.000000 1.407629 2.463959 2.789318 2.407819 1.363701 0.000000 1.082738 2.132060 3.376446 3.855810 3.360535 2.137023 0.000000 4.183721 3.760569 2.438889 1.410374 2.466940 3.704065 5.266086 0.000000 3.392940 3.940132 3.419867 2.159785 1.083555 2.136558 4.263988 2.688777 0.000000 2.155722 3.425374 3.871227 3.397550 2.130238 1.082321 2.440422 4.592870 2.477556 0.000000 5.017382 4.242734 2.813461 2.425161 3.724966 4.832978 6.080555 1.375023 4.059083 5.805846 0.000000 4.774268 3.691296 2.388990 2.756807 4.173954 4.987915 5.752300 2.369294 4.798800 6.049010 1.387294 0.000000 4.813682 4.632571 3.415730 2.153419 2.684778 4.041628 5.873807 1.084597 2.449820 4.750858 2.136916 3.361049 0.000000 6.079114 5.322279 3.893307 3.416853 4.616863 5.808741 7.148024 2.153388 4.774370 6.736083 1.080418 2.140199 2.494544 0.000000 5.692468 4.498265 3.328068 3.836088 5.252621 6.022138 6.614581 3.375535 5.875502 7.092630 2.177518 1.082022 4.293477 2.517334 0.000000 3.663989 2.449551 1.369372 2.365514 3.665889 4.156391 4.565553 2.712094 4.523249 5.238674 2.358706 1.328111 3.796650 3.330001 2.049825 0.000000 2.526349 1.564138 2.676769 3.962579 4.416042 3.860781 2.669068 5.115640 5.499394 4.680609 5.314646 4.420334 6.071634 6.358613 4.947215 3.094809 0.000000 3.975946 2.611624 2.045646 3.284694 4.480925 4.746227 4.712016 3.730657 5.413571 5.811567 3.271810 2.020195 4.815239 4.152532 2.288094 1.018658 2.688665 0.000000 4.181475 2.942740 3.417109 4.832385 5.665783 5.402712 4.439326 5.652715 6.725024 6.321663 5.405608 4.188204 6.714248 6.317675 4.318965 3.058553 1.773228 2.169189 0.000000 3.124336 2.886846 4.245138 5.360627 5.451791 4.514440 2.593306 6.642371 6.492481 5.019278 6.992688 6.159841 7.513450 8.053213 6.687072 4.832235 1.747467 4.413922 2.972449 0.000000 1.0240353 0.4743144 0.3243143 1 -1347.06196621 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=11111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 2.3741, EpsInf= 2.2383) Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. CalDSu exits because no D1Ps are significant. There are 63 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 60 vectors produced by pass 0 Test12= 2.49D-14 1.59D-09 XBig12= 1.05D+02 5.02D+00. AX will form 60 AO Fock derivatives at one time. 60 vectors produced by pass 1 Test12= 2.49D-14 1.59D-09 XBig12= 1.04D+01 7.08D-01. 60 vectors produced by pass 2 Test12= 2.49D-14 1.59D-09 XBig12= 3.39D-01 1.04D-01. 60 vectors produced by pass 3 Test12= 2.49D-14 1.59D-09 XBig12= 4.45D-03 6.92D-03. 60 vectors produced by pass 4 Test12= 2.49D-14 1.59D-09 XBig12= 3.68D-05 6.72D-04. 60 vectors produced by pass 5 Test12= 2.49D-14 1.59D-09 XBig12= 3.08D-07 5.78D-05. 60 vectors produced by pass 6 Test12= 2.49D-14 1.59D-09 XBig12= 2.72D-09 4.81D-06. 35 vectors produced by pass 7 Test12= 2.49D-14 1.59D-09 XBig12= 1.88D-11 3.74D-07. 3 vectors produced by pass 8 Test12= 2.49D-14 1.59D-09 XBig12= 1.25D-13 3.44D-08. 2 vectors produced by pass 9 Test12= 2.49D-14 1.59D-09 XBig12= 8.50D-16 3.67D-09. InvSVY: IOpt=1 It= 1 EMax= 8.88D-15 Solved reduced A of dimension 460 with 63 vectors. Isotropic polarizability for W= 0.000000 164.52 Bohr**3. End of Minotr F.D. properties file 721 does not exist. alpha 49 50 51 52 53 54 55 56 57 58 O O O O O V V V V V -0.478877 -0.477605 -0.461286 -0.433004 -0.415586 -0.118182 -0.075347 -0.054547 -0.008204 0.005224 2.210059 2.362111 2.525939 1.191001 1.300221 1.391958 1.397087 1.364555 0.216004 0.169468 1.343308741450D+03 PT15321.700S 2024-02-24T02:40:03.000 -10.41797 -10.41036 -10.39816 -10.39537 -10.39209 -10.38716 -10.37824 -9.66918 -9.65517 -7.41556 -7.41018 -7.40920 -7.40183 -7.39644 -7.39460 -7.02938 -1.21570 -1.06700 -1.04091 -1.02319 -0.99563 -0.97133 -0.94777 -0.86392 -0.84713 -0.82733 -0.75460 -0.73223 -0.71330 -0.68312 -0.66173 -0.64942 -0.63981 -0.63057 -0.60437 -0.59490 -0.57372 -0.56534 -0.54936 -0.53507 -0.53186 -0.53032 -0.49776 -0.47888 -0.47761 -0.46129 -0.43300 -0.41559 -0.11818 -0.07535 -0.05455 -0.00820 0.00522 0.00844 0.01773 0.02457 0.02665 0.03245 0.03435 0.04823 0.04981 0.05644 0.06871 0.07138 0.07352 0.07450 0.07631 0.08169 0.09240 0.09886 0.10724 0.10934 0.11189 0.11487 0.11797 0.12211 0.12565 0.12808 0.13477 0.13805 0.13845 0.14308 0.14868 0.15222 0.15478 0.15685 0.16092 0.16611 0.16835 0.17363 0.17651 0.17821 0.18934 0.19332 0.19594 0.19753 0.20528 0.21001 0.21569 0.21616 0.22179 0.22680 0.23178 0.23852 0.24502 0.24824 0.25090 0.25274 0.26064 0.26795 0.27608 0.27910 0.28624 0.29071 0.29867 0.30404 0.30673 0.31064 0.31388 0.32243 0.32651 0.34140 0.35546 0.35836 0.37143 0.38604 0.39203 0.39674 0.44653 0.45452 0.46957 0.48588 0.49117 0.49467 0.50604 0.51068 0.51932 0.52577 0.53064 0.54781 0.54964 0.55020 0.56325 0.56790 0.58119 0.58319 0.58819 0.59506 0.59862 0.60069 0.61013 0.62384 0.63948 0.64169 0.64976 0.65759 0.67109 0.68179 0.68495 0.70144 0.73045 0.73174 0.74363 0.76354 0.76872 0.77303 0.79578 0.80552 0.81575 0.83240 0.84440 0.85440 0.86090 0.86872 0.87552 0.88855 0.89864 0.90259 0.90752 0.91252 0.91451 0.92485 0.92881 0.93819 0.94475 0.95072 0.95891 0.96578 0.98003 0.99909 1.01198 1.01684 1.03073 1.03765 1.04454 1.07700 1.07874 1.08804 1.09425 1.11526 1.13393 1.14871 1.15460 1.17115 1.19499 1.22498 1.25425 1.29827 1.35665 1.37013 1.37492 1.38833 1.43465 1.47012 1.48765 1.49738 1.50092 1.52648 1.54704 1.55722 1.57326 1.58244 1.59245 1.60167 1.62144 1.64823 1.65879 1.67589 1.68383 1.71923 1.72735 1.74464 1.75099 1.78585 1.79594 1.81465 1.84569 1.87180 1.88222 1.89560 1.90290 1.90963 1.92918 1.95796 1.96464 1.96719 1.97697 1.98027 1.98185 2.01934 2.07720 2.09379 2.15035 2.16389 2.17605 2.20300 2.24108 2.27170 2.28165 2.31369 2.32900 2.33984 2.35644 2.36850 2.42743 2.45005 2.48383 2.48508 2.50076 2.50962 2.53288 2.53502 2.53813 2.58767 2.66298 2.67780 2.68371 2.68608 2.69907 2.72648 2.72758 2.74995 2.75650 2.77305 2.77828 2.79224 2.80401 2.81208 2.83853 2.84648 2.86237 2.88857 2.91294 2.91925 2.93716 2.97065 3.02793 3.07424 3.09672 3.11186 3.22116 3.27479 3.34782 3.37005 3.39863 3.43905 3.50272 3.53541 3.56754 3.64622 3.67280 3.76845 3.87928 3.94516 4.03167 4.04696 4.09858 4.18104 4.18558 4.50765 4.82291 4.84825 5.25117 9.85050 9.97734 14.46698 23.61875 23.86559 23.96578 23.98152 24.03728 24.07062 24.12830 24.19708 24.24278 25.90740 25.99475 26.13529 26.30599 26.49935 26.67246 35.69998 215.93814 216.08222 49 50 51 52 53 54 55 56 57 58 O|O|O|O|O|V|V|V|V|V -0.47888 -0.47761 -0.46129 -0.43300 -0.41559 -0.11818 -0.07535 -0.05455 -0.00820 0.00522 -0.00150 -0.00044 0.00575 0.00011 -0.00009 0.00014 -0.00059 0.00004 0.00421 0.00410 -0.00241 -0.00070 0.00927 0.00019 -0.00015 0.00023 -0.00096 0.00007 0.00698 0.00674 -0.02052 -0.00406 0.03685 -0.00078 0.00051 0.00079 -0.00041 0.00076 0.00433 0.00611 -0.04669 -0.00631 -0.01040 0.01258 -0.00665 -0.01101 0.00141 -0.01277 -0.00664 -0.00657 -0.00457 0.00337 -0.00135 -0.11171 0.05816 0.10331 -0.02749 0.11694 -0.00037 -0.00081 0.00591 0.00180 -0.02639 -0.00067 0.00051 -0.00069 0.00337 -0.00015 -0.02499 -0.02588 -0.02650 -0.00563 0.05634 -0.00131 0.00084 0.00131 -0.00064 0.00135 0.00852 0.00775 -0.06838 -0.00929 -0.01555 0.02037 -0.01071 -0.01787 0.00246 -0.02006 -0.00716 -0.00778 -0.00676 0.00553 -0.00210 -0.18128 0.09428 0.16579 -0.04253 0.18219 -0.00004 -0.00114 0.00620 0.00240 -0.04618 0.00096 0.00249 0.00020 -0.00324 -0.00038 -0.07500 0.03086 -0.02996 -0.00377 -0.00506 -0.00175 0.00082 -0.00081 0.00217 0.00383 -0.03640 0.05789 -0.05772 -0.00527 -0.06115 0.01613 -0.01039 -0.02442 0.01064 -0.03218 0.03043 -0.04826 -0.00554 0.00765 -0.00656 -0.14991 0.07886 0.21371 -0.06192 0.29589 0.00383 -0.00459 0.25644 -0.03241 0.91520 0.00819 0.01575 0.00584 -0.15016 -0.11752 -3.70568 -5.33674 0.46309 0.05456 0.23321 -0.01656 0.03341 -0.01226 0.09269 0.02567 -2.65953 0.79774 0.54506 0.09243 -0.00939 -0.02316 0.04049 0.00260 0.11690 0.07061 -2.69083 1.85418 0.04859 0.05999 0.00344 -0.00675 0.01663 0.09626 0.06505 0.21616 -0.27490 0.19308 -0.00054 -0.00038 -0.00072 -0.00064 -0.00411 0.00276 -0.00133 -0.00125 0.00369 0.00098 -0.00132 -0.00215 0.00036 -0.01191 -0.00893 0.00542 -0.01038 -0.01098 -0.00052 -0.00008 0.00083 -0.00177 0.00023 -0.00416 -0.02137 0.01468 -0.00839 -0.00703 -0.00106 -0.00051 -0.00518 -0.00078 -0.00083 -0.00053 -0.00250 0.00168 -0.00099 -0.00090 0.00354 0.00461 -0.01325 -0.00183 0.00476 0.00119 0.00102 -0.00049 0.00083 0.00134 -0.00510 -0.00158 0.01288 0.00202 0.00363 0.00015 -0.00023 0.00003 0.00002 -0.00013 0.00387 0.00202 0.02044 0.00319 0.00570 0.00025 -0.00037 0.00005 0.00004 -0.00021 0.00674 0.00316 0.09489 0.01304 0.00938 0.00066 -0.00050 -0.00016 0.00034 -0.00064 0.00916 -0.00432 0.05735 0.00719 0.01038 0.00206 -0.01585 0.00745 -0.00396 0.00012 0.00109 -0.00336 0.00656 0.00728 0.00076 -0.01673 0.13706 -0.06814 0.04123 -0.00484 -0.00011 -0.00136 -0.04628 -0.00747 -0.01360 -0.00071 0.00096 -0.00017 -0.00015 0.00069 -0.03034 -0.00920 0.13185 0.01823 0.01170 0.00086 -0.00060 -0.00042 0.00055 -0.00065 0.01500 -0.01069 0.07975 0.00983 0.00883 0.00311 -0.02556 0.01214 -0.00699 0.00055 0.00247 -0.00374 0.00921 0.01217 -0.00014 -0.02567 0.22283 -0.10868 0.06767 -0.00872 -0.00023 -0.00134 -0.20904 -0.02740 -0.02673 0.00015 0.00283 0.00136 0.00132 -0.00267 0.08445 -0.08920 0.10319 0.01467 0.09320 0.00284 -0.00108 0.00190 -0.00041 -0.00799 0.07011 0.02532 0.08436 0.01314 -0.03654 0.00201 -0.02756 0.01378 -0.00158 0.00128 0.02403 -0.05318 0.00997 0.00754 -0.00464 -0.03427 0.20913 -0.15667 0.11043 -0.00576 0.00231 -0.01177 0.21013 0.13223 -0.19862 -0.07487 0.05665 0.01492 0.18027 0.27051 -2.70873 6.85111 -0.16469 0.02998 0.13545 -0.01007 -0.00862 0.02254 -0.08550 0.05080 0.65982 -0.00362 0.47167 0.10602 -0.18581 -0.02474 0.03399 -0.01321 0.20376 0.09242 -3.06684 2.31640 0.06211 -0.03575 -0.02814 -0.00153 0.00846 -0.08655 -0.00179 0.02766 -0.34562 0.27447 -0.00178 -0.00018 -0.00046 -0.00370 0.00077 0.00344 -0.00102 0.00567 0.00527 0.00001 -0.00068 -0.00219 0.00068 0.00993 0.00347 0.00262 -0.03340 -0.00775 0.00033 -0.00008 0.00090 0.00066 0.00032 -0.01814 0.00434 0.01690 -0.00527 0.02805 -0.00053 -0.00015 -0.00335 -0.00044 -0.00015 -0.00192 0.00031 0.00248 -0.00218 0.00340 -0.00415 0.00038 -0.00769 -0.00080 0.00715 -0.00125 -0.00013 -0.00049 0.00456 0.00084 0.00168 0.00039 -0.00336 -0.00045 -0.00024 -0.00004 0.00020 -0.00010 0.00055 -0.00016 0.00716 0.00386 -0.00548 -0.00074 -0.00043 -0.00007 0.00032 -0.00016 0.00090 -0.00025 0.01207 0.00638 -0.05295 -0.00693 0.00181 0.00027 0.00100 -0.00066 0.00043 -0.00067 -0.00208 -0.00831 -0.01325 -0.00011 0.00728 -0.01241 -0.00454 0.00244 0.01526 0.01019 -0.00439 -0.00652 0.00025 -0.00654 -0.00163 0.11556 0.03945 -0.02030 -0.14202 -0.09451 -0.00061 -0.00008 0.01772 0.00228 0.00071 0.00032 -0.00108 0.00053 -0.00308 0.00068 -0.04743 -0.02034 -0.07822 -0.01017 -0.00043 0.00048 0.00150 -0.00107 0.00070 -0.00097 -0.00683 -0.01203 -0.01966 0.00014 0.01090 -0.02058 -0.00745 0.00380 0.02470 0.01607 -0.00981 -0.01032 0.00082 -0.01156 -0.00266 0.19175 0.06555 -0.03256 -0.22626 -0.15047 -0.00165 0.00015 -0.00247 0.00534 0.00387 -0.00267 -0.00107 0.00053 -0.00676 0.00806 -0.08294 -0.06260 -0.09194 -0.01095 0.09313 0.00325 0.00368 0.00339 -0.00789 -0.00779 0.08878 -0.01350 0.05518 0.00303 -0.02583 -0.01855 -0.00569 0.00541 0.03569 0.02958 -0.01996 0.02415 0.00759 -0.00462 -0.00730 0.17000 0.06431 -0.04615 -0.35840 -0.26243 -0.00163 0.00397 0.20816 0.07632 -0.54817 0.06918 -0.11843 0.00626 -0.07006 0.03181 19.92951 19.44502 -0.25353 -0.03160 -0.02585 0.01382 -0.05293 -0.00478 -0.08651 -0.00779 6.99091 4.85958 -0.07012 0.00010 -0.03945 0.02001 -0.03007 0.02815 -0.08312 0.01526 5.59006 -2.43161 -0.00781 0.00611 0.00361 -0.00679 0.00067 -0.00925 -0.09738 -0.24573 0.56206 -0.31026 -0.00030 -0.00003 -0.00032 0.00002 0.00274 -0.00410 -0.00226 0.00378 0.00571 0.00051 -0.00167 -0.00109 0.00002 0.01341 -0.01828 0.00868 -0.00953 0.02138 -0.00039 0.00088 0.00115 -0.00003 0.00064 0.00046 0.01338 -0.02136 -0.01121 0.02087 -0.00094 -0.00012 -0.01080 -0.00154 -0.00247 0.00006 0.00160 -0.00241 -0.00109 0.00244 0.00040 -0.00078 -0.01452 -0.00161 0.00066 -0.00154 0.00224 -0.00112 0.00099 -0.00217 -0.00435 0.00572 0.00277 0.00031 0.00055 0.00006 -0.00012 0.00009 -0.00016 0.00005 0.00622 -0.00081 0.00437 0.00050 0.00086 0.00010 -0.00020 0.00015 -0.00027 0.00010 0.01060 -0.00101 0.04565 0.00540 -0.00315 0.00074 -0.00061 0.00012 -0.00057 0.00066 0.00226 -0.00276 0.03059 0.00476 -0.00333 -0.01226 0.00342 0.00257 0.00070 -0.01501 0.00337 -0.00549 0.00280 -0.01108 -0.00048 0.11235 -0.03298 -0.02215 -0.00816 0.13696 0.00084 -0.00014 -0.01203 -0.00161 -0.00240 -0.00023 0.00065 -0.00049 0.00072 -0.00063 -0.04784 -0.00886 0.06339 0.00753 -0.00415 0.00115 -0.00083 0.00015 -0.00074 0.00115 0.00209 -0.00248 0.04170 0.00675 -0.00610 -0.02037 0.00562 0.00404 0.00095 -0.02354 0.00784 -0.00895 0.00372 -0.01841 -0.00094 0.18630 -0.05354 -0.03585 -0.01006 0.21453 0.00172 -0.00035 0.00116 -0.00027 -0.02450 -0.00186 -0.00184 -0.00134 0.00468 0.00346 0.02240 0.06758 0.08275 0.00815 -0.00088 0.00085 0.00001 0.00147 -0.00597 0.00196 0.07449 0.02350 0.02533 0.00620 0.06231 -0.01581 0.00662 0.00944 -0.00275 -0.04443 0.05389 -0.00434 0.00217 -0.01674 0.00717 0.15898 -0.05480 -0.04787 -0.03032 0.37957 0.00626 0.00106 -0.22626 -0.05033 0.49112 -0.03711 0.03947 -0.01107 -0.08190 -0.02806 -6.69759 -6.35889 -0.15394 0.08346 0.03403 -0.00631 -0.04557 0.04049 -0.16322 0.12942 10.03058 9.15229 0.19884 -0.01003 -0.21160 0.05570 -0.06317 -0.01933 -0.03894 -0.14413 10.78840 6.25728 0.02187 0.01429 -0.03379 0.01111 0.00633 -0.02751 -0.15573 0.32071 1.15010 0.63776 -0.00039 -0.00034 -0.00010 -0.00223 -0.00391 -0.00440 0.00215 0.00030 0.00390 0.00285 -0.00104 0.00114 0.00062 -0.00690 0.00284 0.01852 0.03098 0.01065 -0.00042 -0.00098 0.00029 -0.00134 -0.00021 -0.01199 -0.02026 -0.02196 0.01243 0.00234 -0.00023 -0.00056 -0.00084 -0.00006 0.00132 -0.00132 -0.00232 -0.00232 0.00139 0.00029 -0.00435 -0.00165 -0.00638 -0.00101 0.00163 0.00067 -0.00042 -0.00225 -0.00328 -0.00117 -0.00423 -0.00828 0.00022 0.00002 0.00313 0.00001 0.00002 0.00001 0.00000 -0.00002 0.00447 0.01046 0.00030 0.00004 0.00501 0.00001 0.00003 0.00001 0.00000 -0.00002 0.00735 0.01727 -0.01300 -0.00230 0.01628 -0.00013 -0.00091 -0.00080 0.00047 -0.00026 -0.01120 -0.02533 -0.02019 -0.00056 0.00095 0.00283 0.01430 0.01159 -0.00617 0.00393 -0.01259 -0.01436 -0.00188 -0.01340 -0.00039 -0.02561 -0.12954 -0.10462 0.05501 -0.03660 -0.00157 -0.00238 0.00057 -0.00019 -0.01467 -0.00001 -0.00008 -0.00001 -0.00000 -0.00011 -0.02359 -0.05927 -0.01841 -0.00314 0.02375 -0.00023 -0.00150 -0.00124 0.00074 -0.00023 -0.01414 -0.03081 -0.03035 -0.00053 0.00136 0.00446 0.02316 0.01845 -0.00959 0.00633 -0.01690 -0.01284 -0.00285 -0.02143 -0.00066 -0.04076 -0.20977 -0.16635 0.08604 -0.05744 -0.00212 -0.00276 0.00004 0.00050 -0.04675 -0.00075 -0.00010 -0.00286 0.00122 0.00245 -0.13135 -0.13260 -0.03469 -0.00624 0.02193 -0.00005 -0.00156 -0.00174 0.00334 -0.00215 -0.07421 -0.17217 -0.01327 -0.00073 0.03760 0.00525 0.02010 0.02604 -0.01924 0.00926 0.01506 -0.05507 -0.00084 -0.01660 0.00362 -0.03995 -0.18257 -0.21879 0.14437 -0.09888 0.00128 -0.00768 -0.50827 0.02466 -0.35193 -0.09176 0.07834 0.00130 0.15261 0.21212 -13.42543 -5.64991 0.21024 0.00807 0.22231 0.01205 0.00616 0.00383 0.00105 -0.04269 -2.50663 -4.51897 -0.24321 -0.05161 -0.20466 0.01509 -0.03234 0.00225 -0.07500 -0.03731 4.53655 1.55643 -0.03035 0.00014 -0.01907 0.00725 -0.01681 -0.08217 0.16182 -0.10202 0.51642 0.20102 0.00000 0.00017 -0.00029 -0.00358 -0.00006 0.00136 -0.00032 -0.00533 0.00447 0.00179 -0.00104 0.00076 0.00033 0.01401 0.01054 -0.00356 0.00978 0.01326 0.00025 0.00054 0.00080 0.00119 -0.00008 -0.01754 0.00031 0.00662 -0.00102 -0.02666 -0.00141 -0.00094 -0.00612 -0.00068 0.00121 -0.00189 0.00010 0.00074 -0.00015 -0.00287 0.00367 0.00524 -0.00910 -0.00129 0.00255 -0.00166 -0.00113 0.00043 -0.00107 -0.00162 0.00197 0.00639 0.00276 0.00053 -0.00261 0.00001 -0.00005 -0.00004 0.00022 -0.00006 0.00494 0.00789 0.00441 0.00085 -0.00410 0.00001 -0.00009 -0.00006 0.00036 -0.00009 0.00805 0.01277 0.03025 0.00483 -0.01975 -0.00088 -0.00083 0.00028 0.00025 -0.00093 0.00315 0.00187 0.03373 0.00535 -0.00124 0.01299 0.00956 -0.00553 0.00399 0.01029 -0.00732 -0.02397 0.00400 -0.00694 -0.00030 -0.11592 -0.08683 0.04888 -0.03231 -0.09299 -0.00100 -0.00175 -0.01454 -0.00274 0.00957 -0.00003 0.00026 0.00014 -0.00115 0.00013 -0.02559 -0.03706 0.04134 0.00657 -0.02716 -0.00137 -0.00126 0.00042 0.00039 -0.00145 0.00312 0.00160 0.04854 0.00783 -0.00135 0.02107 0.01543 -0.00896 0.00566 0.01626 -0.01245 -0.02912 0.00582 -0.01072 -0.00037 -0.18824 -0.13996 0.07958 -0.04689 -0.14598 -0.00167 -0.00181 -0.00262 -0.00287 0.06720 0.00018 0.00028 0.00175 -0.00157 -0.00017 -0.09626 -0.26698 0.01622 0.00439 -0.04922 -0.00163 -0.00134 -0.00020 0.00291 -0.00189 -0.00140 -0.00509 0.04491 0.00859 -0.02263 0.01740 0.01410 -0.01280 0.01192 0.02646 -0.03617 -0.02989 0.00553 -0.01075 -0.00275 -0.15688 -0.12393 0.09976 -0.09706 -0.23183 -0.00415 -0.00085 -0.68201 -0.12791 0.00266 0.07029 -0.07954 0.03136 -0.23291 -0.15344 4.82713 -5.62337 0.50351 0.07065 0.33006 -0.00874 0.03177 0.00900 0.05947 0.03143 -2.93176 -0.13705 0.14944 0.03230 0.08140 -0.00875 0.01633 -0.01914 0.06058 0.04023 -1.92123 -1.81391 0.01829 -0.02427 0.00212 -0.01477 -0.01195 0.03554 -0.10281 -0.16399 -0.19584 -0.19473 -0.00043 0.00012 -0.00035 0.00180 0.00125 0.00048 0.00004 -0.00112 0.00330 0.00316 -0.00022 -0.00166 0.00035 0.00762 -0.01859 -0.02510 0.01041 -0.01931 -0.00015 -0.00022 0.00095 0.00088 0.00046 0.00978 0.00519 0.00074 0.00130 -0.00707 -0.00011 0.00047 -0.00807 -0.00084 -0.00334 0.00116 0.00042 -0.00004 0.00004 -0.00092 -0.00514 -0.00872 -0.00238 -0.00021 0.00348 -0.00078 0.00209 0.00276 -0.00101 0.00204 -0.00115 -0.00174 0.00788 0.00218 -0.02703 0.00009 -0.00018 -0.00005 0.00029 -0.00024 0.00240 0.00210 0.01387 0.00351 -0.04156 -0.00009 -0.00028 -0.00048 0.00129 0.00021 -0.01261 0.00025 0.02627 0.00190 0.01848 0.00014 0.00032 -0.00134 0.00043 -0.00145 0.06073 0.16619 0.00831 -0.00691 0.19617 0.00261 -0.00293 -0.01948 0.01503 -0.02343 0.22144 0.22720 -0.00355 -0.00030 -0.00538 -0.00011 0.00006 0.00009 -0.00002 0.00017 -0.00425 -0.00249 -0.00360 -0.00056 0.00008 0.00098 -0.00047 -0.00114 0.00012 -0.00150 0.00233 0.00274 -0.00040 0.00114 0.00021 -0.00856 0.00445 0.01055 -0.00199 0.01285 0.00034 0.00028 -0.00280 -0.00043 -0.00005 -0.00002 0.00003 -0.00008 0.00008 -0.00004 0.00973 0.00443 -0.00452 -0.00068 -0.00007 -0.00003 0.00004 -0.00012 0.00013 -0.00006 0.01613 0.00731 -0.02639 -0.00331 0.00058 -0.00002 0.00051 0.00046 0.00065 -0.00010 -0.01696 -0.02282 -0.00419 -0.00075 -0.00107 -0.00264 -0.00686 -0.01448 -0.01027 0.00131 -0.00641 -0.01287 -0.00249 0.00461 0.00244 0.02456 0.06221 0.13209 0.09166 -0.01185 -0.00091 -0.00137 0.01459 0.00199 -0.00023 0.00006 -0.00013 0.00041 -0.00050 0.00021 -0.05730 -0.02089 -0.03796 -0.00461 -0.00033 -0.00000 0.00077 0.00071 0.00108 -0.00002 -0.01895 -0.02514 -0.00675 -0.00122 -0.00123 -0.00425 -0.01120 -0.02315 -0.01619 0.00198 -0.00622 -0.01398 -0.00406 0.00727 0.00402 0.03935 0.10130 0.21110 0.14376 -0.01802 -0.00099 -0.00150 -0.01590 0.00184 0.02994 0.00150 0.00075 0.00139 0.00084 -0.00251 -0.14309 -0.16585 -0.02247 -0.00498 -0.01473 -0.00095 0.00032 0.00036 0.00173 0.00078 -0.05915 -0.08378 -0.02697 -0.00449 -0.01135 -0.00410 -0.01042 -0.03247 -0.02347 0.00437 -0.11336 -0.07208 -0.00572 0.00726 0.00204 0.03556 0.08981 0.28090 0.23362 -0.03658 -0.01287 -0.00812 1.01035 0.09532 -0.34753 0.10590 -0.00775 -0.04163 0.13144 -0.24345 -2.27175 -6.22898 -0.06442 0.02226 0.12820 -0.01392 -0.00296 0.00759 -0.04516 0.04714 -0.35379 -1.10846 -0.30466 -0.09668 -0.13306 -0.02193 0.01977 -0.02692 0.05551 -0.00705 -4.34942 -2.94275 -0.03200 -0.02695 -0.01109 0.00165 -0.00799 0.11489 0.19058 -0.04716 -0.48215 -0.31378 0.00030 -0.00048 -0.00003 0.00303 -0.00258 0.00013 0.00226 0.00544 0.00389 0.00294 -0.00074 0.00079 0.00011 -0.01205 0.00172 0.00120 0.00189 -0.01994 0.00085 0.00015 0.00081 -0.00255 -0.00041 0.01520 -0.01317 0.00056 0.01190 0.02715 -0.00074 -0.00079 -0.00489 -0.00089 0.00013 0.00162 -0.00141 0.00005 0.00141 0.00290 0.00010 0.00194 -0.00757 -0.00094 0.00110 0.00138 -0.00023 -0.00013 -0.00010 0.00237 0.00815 0.00213 -0.02487 -0.00332 0.01103 0.00004 0.00007 0.00000 -0.00004 0.00006 -0.00366 0.00136 -0.03743 -0.00475 0.01509 -0.00001 0.00015 -0.00001 -0.00024 0.00028 -0.00845 -0.00915 -0.01809 -0.00166 -0.00373 -0.00036 0.00021 -0.00055 0.00018 0.00138 0.19439 0.54501 -0.01321 0.00385 -0.01334 -0.00323 0.00208 -0.00225 0.00737 0.01434 0.98703 2.93608 0.00069 0.00007 0.00022 -0.00001 -0.00008 -0.00007 0.00003 -0.00002 0.00491 0.00920 0.00013 0.00019 -0.00097 0.00020 0.00113 0.00108 -0.00076 0.00050 0.00096 0.00624 0.00002 -0.00100 -0.00014 -0.00187 -0.01028 -0.00992 0.00737 -0.00436 0.00002 0.00048 0.02927 0.00365 0.00396 0.00005 -0.00004 -0.00007 0.00034 -0.00007 0.00180 0.00161 0.04309 0.00526 0.00566 0.00010 -0.00016 0.00006 0.00076 -0.00023 0.00804 -0.01976 0.01252 0.00051 0.00914 -0.00001 -0.00004 0.00083 0.00057 -0.00095 0.11693 0.40357 -0.03672 -0.00822 -0.05948 0.00061 -0.00146 0.00871 -0.01375 -0.00359 0.85793 2.40385 0.00223 0.00031 -0.00055 -0.00006 -0.00006 0.00004 0.00000 -0.00011 0.00015 0.00078 -0.00133 -0.00009 0.00023 0.00101 0.00078 -0.00062 0.00036 0.00122 0.00291 0.00872 -0.00014 -0.00043 0.00002 -0.00908 -0.00687 0.00531 -0.00278 -0.01076 0.00029 0.00109 0.00070 -0.00002 -0.00157 -0.00003 0.00003 -0.00000 0.00006 -0.00004 0.00961 -0.00022 0.00108 -0.00003 -0.00250 -0.00005 0.00005 -0.00000 0.00010 -0.00007 0.01577 -0.00040 0.02145 0.00187 -0.00940 -0.00045 0.00046 -0.00018 -0.00026 -0.00067 -0.01925 0.00369 0.01299 -0.00055 -0.00212 0.00867 -0.00894 0.00334 0.00680 0.01261 0.01185 0.00017 -0.00101 0.01537 0.00287 -0.07836 0.07952 -0.03081 -0.06126 -0.11344 0.00121 -0.00011 -0.00280 0.00018 0.00745 0.00015 -0.00009 0.00007 -0.00038 0.00023 -0.05308 0.00184 0.02878 0.00246 -0.01292 -0.00074 0.00077 -0.00040 -0.00027 -0.00116 -0.02656 0.00492 0.01720 -0.00123 -0.00286 0.01421 -0.01439 0.00539 0.01048 0.01991 0.01206 0.00142 -0.00207 0.02508 0.00472 -0.12859 0.12838 -0.05021 -0.09351 -0.17928 0.00126 -0.00016 0.01614 -0.00188 -0.02325 0.00019 -0.00116 -0.00102 0.00056 0.00076 -0.21256 0.01454 0.01500 0.00379 -0.00357 -0.00017 0.00133 -0.00036 0.00030 -0.00243 -0.06943 0.01448 -0.00718 -0.00351 -0.00310 0.01151 -0.01411 0.00621 0.01854 0.03424 0.01786 0.00344 -0.00383 0.01791 0.00415 -0.10842 0.11979 -0.06373 -0.16619 -0.29910 0.00118 0.00073 -0.38758 -0.08243 -0.03885 -0.05556 -0.00051 -0.02764 0.00205 0.08238 -8.33875 4.97081 -0.06221 -0.01790 -0.03968 0.00373 0.00757 0.00248 0.02968 -0.01877 -0.78704 -1.18559 -0.26642 -0.09487 -0.06251 -0.01895 0.00982 0.00042 0.05406 0.02598 0.01078 0.13332 -0.03026 0.00340 -0.00947 -0.00866 0.01857 -0.03177 -0.09593 -0.22695 0.00326 0.02129 0.00002 0.00005 0.00018 0.00147 0.00159 0.00529 0.00299 -0.00201 0.00390 0.00053 -0.00040 -0.00179 -0.00008 0.01138 -0.00229 0.01352 0.00557 -0.01537 -0.00105 -0.00021 -0.00020 -0.00006 0.00028 0.00819 0.00801 0.02790 0.01561 -0.01108 -0.00161 0.00031 -0.00008 -0.00002 -0.00058 0.00103 0.00090 0.00324 0.00179 -0.00137 0.00720 -0.00377 -0.00491 -0.00036 0.00096 -0.00125 0.00030 -0.00139 -0.00054 0.00168 -0.00899 -0.00139 -0.00119 -0.00005 0.00157 0.00001 -0.00002 0.00008 0.00000 -0.00001 0.01202 -0.00862 -0.00194 -0.00008 0.00249 0.00002 -0.00003 0.00013 0.00002 -0.00002 0.01980 -0.01422 -0.02494 -0.00201 0.01153 -0.00073 -0.00005 -0.00073 -0.00022 0.00083 -0.00239 -0.00492 -0.00773 -0.00243 -0.00076 0.01200 0.00050 0.01372 0.00377 -0.01397 0.03148 -0.03051 -0.00138 0.01473 0.00061 -0.10646 -0.00388 -0.12272 -0.03453 0.12395 0.00392 -0.00312 0.00660 0.00039 -0.00610 -0.00004 0.00009 -0.00022 -0.00044 0.00029 -0.06758 0.04460 -0.03606 -0.00275 0.01742 -0.00124 -0.00013 -0.00107 -0.00046 0.00153 -0.00289 -0.00563 -0.01105 -0.00351 -0.00019 0.01985 0.00074 0.02233 0.00572 -0.02231 0.04558 -0.03486 -0.00209 0.02317 0.00146 -0.17613 -0.00547 -0.19963 -0.05225 0.19800 0.00549 -0.00305 -0.00039 -0.00040 -0.00786 0.00117 0.00190 -0.00297 0.00661 -0.00680 -0.20988 0.25050 -0.05446 -0.00177 0.02759 -0.00161 -0.00078 -0.00183 -0.00188 0.00502 -0.00948 -0.04561 -0.03673 -0.00442 0.01554 0.01695 0.00140 0.02972 0.01281 -0.03881 0.09900 -0.14530 -0.00497 0.02423 0.00155 -0.14954 -0.00413 -0.27049 -0.09825 0.33128 0.01324 -0.01674 -0.20553 -0.06061 -0.05906 0.01943 0.01769 0.00832 0.06709 -0.08845 1.45312 -5.59160 -0.18933 -0.07960 -0.05976 -0.01221 0.01230 0.00368 0.03683 -0.00294 1.26122 -1.16680 -0.05167 0.00458 0.02915 0.01001 0.00146 0.01573 0.00280 -0.04887 2.36055 -4.45136 -0.00465 -0.00628 0.00532 -0.00479 -0.00525 -0.10199 -0.05295 0.24276 0.26204 -0.49397 -0.00038 0.00036 0.00063 -0.00129 -0.00017 0.00128 0.00039 -0.00136 0.00457 0.00018 -0.00095 0.00098 0.00089 -0.00407 0.01929 -0.01600 -0.02333 -0.01878 0.00042 -0.00009 0.00068 0.00168 -0.00038 -0.00676 0.00037 0.00554 0.00085 -0.00842 0.00040 -0.00066 -0.00573 -0.00028 0.00241 -0.00076 0.00019 0.00051 -0.00013 -0.00102 -0.01267 0.00625 -0.00517 -0.00048 0.00283 0.00040 -0.00214 0.00180 0.00253 0.00208 0.00183 -0.00007 -0.02395 -0.00274 0.00091 -0.00007 0.00016 -0.00008 0.00012 -0.00001 0.00261 -0.00430 -0.03545 -0.00385 0.00354 -0.00006 0.00036 0.00011 -0.00006 -0.00005 0.00565 -0.02144 -0.01184 -0.00038 0.01088 0.00053 0.00033 0.00064 -0.00116 -0.00034 0.31638 0.40336 0.03439 0.00862 -0.00281 0.00470 -0.00221 0.00250 -0.00723 -0.00470 1.93787 2.64416 0.00032 0.00003 -0.00009 0.00001 0.00002 0.00003 0.00013 -0.00002 0.00602 0.00597 0.00066 0.00005 0.00011 -0.00019 -0.00051 -0.00145 -0.00123 0.00023 0.00440 0.00479 -0.00008 0.00027 0.00021 0.00174 0.00445 0.01311 0.01108 -0.00196 0.00041 0.00046 0.01195 0.00107 -0.00546 0.00007 0.00004 0.00009 0.00004 -0.00012 0.00481 -0.00080 0.01742 0.00147 -0.00774 -0.00005 -0.00008 0.00019 -0.00024 0.00012 0.00034 -0.00050 0.00093 -0.00229 -0.00364 -0.00029 -0.00020 0.00010 -0.00014 -0.00067 0.37328 -0.05016 -0.00762 -0.01274 -0.01134 -0.00298 0.00052 -0.00071 0.00187 -0.00131 1.76384 0.14365 0.00040 0.00006 0.00001 -0.00002 0.00004 -0.00002 -0.00001 -0.00010 0.00782 0.00054 0.00170 -0.00000 -0.00047 0.00069 -0.00071 0.00040 0.00071 0.00150 -0.00414 0.00257 0.00000 0.00122 0.00018 -0.00625 0.00631 -0.00360 -0.00666 -0.01340 -0.00051 0.00023 0.01298 0.00102 -0.00384 -0.00004 -0.00005 0.00009 0.00010 -0.00014 0.00303 0.00022 0.01364 0.00189 -0.00103 -0.00025 -0.00010 0.00019 -0.00008 0.00025 -0.00333 0.00844 0.00715 -0.00005 -0.00485 0.00058 0.00068 -0.00011 0.00208 -0.00302 0.44053 -0.53582 -0.05301 0.01092 0.06265 0.00427 -0.00200 0.00092 -0.00974 -0.00271 2.33459 -3.80936 -0.00103 -0.00012 0.00054 -0.00005 0.00001 -0.00008 0.00004 0.00006 -0.00209 0.00228 0.00026 0.00000 0.00039 0.00092 0.00003 0.00150 0.00038 -0.00159 -0.01129 0.00959 -0.00001 0.00094 0.00014 -0.00830 -0.00029 -0.01326 -0.00377 0.01477 -0.00118 0.00109 0.00298 -0.00004 -0.00565 -0.00003 0.00009 -0.00009 -0.00000 -0.00001 0.00946 -0.00524 0.00479 -0.00006 -0.00910 -0.00004 0.00015 -0.00015 -0.00000 -0.00002 0.01549 -0.00866 0.03977 0.00269 -0.02719 -0.00000 -0.00048 0.00063 0.00053 -0.00022 0.01269 -0.01619 0.03466 0.00285 -0.01217 0.00040 0.00930 -0.01147 -0.01070 0.00241 0.01206 -0.00613 0.00536 0.00128 -0.00381 -0.00428 -0.08602 0.10500 0.09658 -0.02329 0.00052 -0.00066 -0.01253 0.00017 0.02612 0.00014 -0.00050 0.00045 -0.00004 -0.00010 -0.04822 0.02769 0.05757 0.00395 -0.03951 0.00001 -0.00061 0.00081 0.00107 -0.00044 0.01911 -0.02419 0.04636 0.00394 -0.01554 0.00059 0.01443 -0.01741 -0.01607 0.00390 0.01826 -0.00947 0.00764 0.00283 -0.00576 -0.00659 -0.13336 0.15924 0.14398 -0.03580 0.00050 -0.00064 -0.02465 0.00112 0.05209 -0.00008 -0.00071 0.00146 -0.00234 0.00334 -0.18178 0.09967 0.06746 0.00395 -0.05979 -0.00066 -0.00201 0.00148 -0.00024 0.00182 0.03935 -0.06382 0.08606 0.00411 -0.04685 0.00111 0.01618 -0.02425 -0.02332 0.00341 0.02160 0.00264 0.01178 -0.00086 -0.00858 -0.00683 -0.14183 0.21898 0.22159 -0.05162 0.00150 -0.00123 -0.02908 -0.01967 0.03887 -0.00699 -0.00259 0.00301 -0.01110 0.01555 1.06098 -1.27772 0.10033 0.01229 -0.04496 -0.00035 0.00000 0.00708 -0.00744 0.00753 -0.46193 0.46783 0.18040 0.01966 -0.07946 0.00338 0.00284 -0.01739 -0.01358 -0.00551 -0.01944 0.27065 0.02041 -0.00982 -0.00675 0.00806 -0.02100 0.13028 0.19100 -0.05652 -0.00666 0.04172 0.00019 -0.00017 0.00053 0.00309 0.00075 0.00111 -0.00248 -0.00398 0.00327 -0.00020 -0.00069 0.00151 0.00008 -0.00953 -0.00202 -0.00984 -0.00314 0.01574 0.00047 -0.00040 0.00019 -0.00125 -0.00038 0.01551 0.00375 0.00528 -0.01364 -0.01953 -0.00120 0.00037 -0.00057 -0.00009 0.00033 0.00168 0.00039 0.00054 -0.00145 -0.00212 0.00424 -0.00193 -0.00580 -0.00092 0.00033 0.00113 0.00029 0.00115 0.00026 -0.00188 0.00440 -0.00474 0.01119 0.00161 -0.00106 0.00001 -0.00005 -0.00011 0.00029 0.00021 -0.00300 0.00254 0.01714 0.00245 -0.00180 0.00001 -0.00007 -0.00018 0.00048 0.00034 -0.00406 0.00409 -0.07479 -0.00982 0.00714 -0.00033 0.00104 -0.00094 0.00264 -0.00021 -0.01033 0.00596 -0.02766 -0.00672 -0.01478 0.00014 -0.00472 0.01140 -0.02507 0.00631 -0.01310 0.00912 -0.00512 0.01446 -0.00260 -0.00223 0.02881 -0.07225 0.15324 -0.03692 -0.00242 0.00296 -0.04182 -0.00608 0.00880 -0.00004 0.00022 0.00090 -0.00180 -0.00044 -0.01024 -0.00847 -0.10849 -0.01419 0.01495 -0.00043 0.00152 -0.00191 0.00505 -0.00097 -0.00548 0.00776 -0.03676 -0.01035 -0.02575 0.00016 -0.00750 0.01931 -0.04274 0.01046 -0.01919 0.00845 -0.00757 0.02479 -0.00443 -0.00341 0.04358 -0.12483 0.26043 -0.06122 -0.00412 0.00356 0.00145 -0.00165 0.04768 0.00181 -0.00242 -0.00321 0.00233 -0.01907 0.28912 -0.07351 0.05665 0.01166 0.03869 -0.00157 -0.00120 -0.00379 0.01633 0.00214 -0.11154 0.07978 0.01856 0.00007 0.07911 0.00298 -0.00595 0.02758 -0.07459 0.01593 -0.05579 0.13604 -0.00107 0.02522 0.01059 0.00476 0.02562 -0.13698 0.39744 -0.11146 -0.00831 0.02903 0.07623 0.04971 0.07061 0.00334 -0.00511 -0.00284 0.00302 -0.00254 1.23385 -0.15484 0.15647 0.03656 0.05025 -0.00027 -0.00489 -0.00506 0.00656 0.01160 0.15871 -0.10097 0.08601 0.00001 0.00481 -0.00054 0.00673 0.01312 -0.02250 0.01332 -0.08168 0.54427 0.00855 0.01350 0.00212 0.00489 -0.00451 0.01056 0.08044 -0.02371 -0.00456 0.07685 -0.00165 0.01235 0.00061 -0.00003 0.00139 0.00011 0.00036 0.00187 0.01144 -0.00186 -0.00327 -0.02345 0.00284 -0.00315 0.02329 -0.00887 0.00662 -0.00383 0.00109 -0.00103 0.00043 0.03993 0.00588 -0.00138 0.00834 -0.00042 0.00241 0.00944 -0.00394 0.00037 -0.02827 0.00169 -0.04174 -0.00066 0.00106 0.00035 -0.00010 0.00171 0.00640 -0.00141 -0.04270 -0.00103 0.01086 0.00020 -0.00254 0.00074 -0.00088 0.00061 0.00417 -0.00288 -0.02543 -0.00247 0.00850 0.00002 0.00014 -0.00006 -0.00054 0.00006 0.00977 -0.00972 -0.01617 -0.00389 -0.01156 -0.00028 -0.00006 0.00004 -0.00164 0.00093 0.03099 -0.04807 0.11820 0.00775 -0.10708 0.00225 0.00089 0.00019 0.00345 -0.00840 0.01718 0.12506 0.04045 -0.07937 -0.26908 -0.01359 0.01264 0.01616 0.01285 -0.00208 2.22167 -1.16149 -0.01401 -0.00077 0.01031 0.00004 0.00007 -0.00008 0.00013 -0.00004 -0.00249 0.00128 -0.00147 0.00031 0.00164 0.00004 0.00095 -0.00149 -0.00113 0.00038 -0.00546 0.00595 -0.00033 -0.00321 0.00068 -0.00066 -0.00791 0.01174 0.01305 -0.00342 -0.00035 0.00039 -0.00017 0.00004 0.00132 0.00002 0.00000 -0.00003 0.00007 -0.00001 -0.00362 0.00238 -0.00047 0.00011 0.00382 0.00005 0.00001 -0.00009 0.00020 -0.00002 -0.01041 0.00685 0.00088 -0.00024 -0.00792 -0.00010 -0.00003 0.00019 -0.00040 -0.00000 0.02142 -0.01407 0.00234 -0.00036 -0.01483 -0.00022 -0.00004 0.00040 -0.00086 0.00022 0.04306 -0.02851 -0.00528 0.00061 0.02951 0.00040 0.00015 -0.00085 0.00198 -0.00086 -0.08338 0.05543 -0.00064 0.00084 0.02761 0.00082 -0.00034 0.00029 -0.00112 0.00116 -0.09255 0.06334 0.12561 0.03719 0.06518 0.00191 -0.00292 0.01056 -0.00026 0.03364 -0.94086 1.21186 -0.07510 0.00396 0.09248 0.00278 -0.00270 -0.00134 -0.00008 -0.00172 -0.21391 0.23476 0.02719 -0.00909 -0.05120 -0.00172 -0.00170 0.00054 0.01142 0.00202 -0.00105 0.13844 0.00059 0.04200 -0.00800 -0.00177 0.00573 0.00429 -0.03969 0.02612 -0.02459 0.04136 -0.15503 -0.01675 0.10728 -0.00004 -0.00026 -0.00053 0.00016 0.00019 0.01048 -0.00826 -0.02132 -0.02862 -0.06264 -0.00082 -0.00528 0.00442 -0.00855 0.00233 0.00155 0.00579 -0.02037 0.14480 -0.01569 0.00263 0.02568 -0.02207 0.05102 -0.01550 0.00079 0.00025 0.05866 0.00632 -0.04078 0.00002 0.00011 0.00019 -0.00006 -0.00009 -0.00411 0.00316 0.00803 0.01081 0.02357 0.00032 0.00199 -0.00168 0.00324 -0.00091 -0.00066 -0.00210 0.00772 -0.05482 0.00592 -0.00102 -0.00971 0.00839 -0.01935 0.00602 -0.00033 -0.00007 0.17732 0.01929 -0.12162 0.00002 0.00024 0.00072 -0.00016 -0.00009 -0.01206 0.01018 0.02444 0.03276 0.07346 0.00092 0.00616 -0.00530 0.01051 -0.00264 -0.00187 -0.00770 0.02309 -0.16485 0.01828 -0.00284 -0.02970 0.02642 -0.06212 0.01792 -0.00079 -0.00043 0.39191 0.04186 -0.27954 0.00022 0.00091 0.00105 -0.00041 -0.00135 -0.03411 0.02388 0.05148 0.07183 0.15085 0.00231 0.01314 -0.01169 0.02216 -0.00738 -0.00409 -0.01459 0.05189 -0.36924 0.03853 -0.00767 -0.06544 0.05848 -0.13573 0.04643 -0.00310 -0.00015 0.25803 0.02794 -0.19202 -0.00055 0.00028 0.00301 -0.00395 0.00471 -0.00515 0.02933 0.03323 0.05084 0.11770 0.00191 0.00918 -0.01160 0.02806 -0.00181 -0.08053 0.05574 0.03304 -0.24071 0.02883 -0.00371 -0.04882 0.07059 -0.17369 0.04179 -0.01027 0.00816 -0.00350 -0.00258 0.00293 0.00001 0.00052 -0.00442 0.01104 -0.00340 -0.00058 0.00272 0.00178 -0.00593 0.00024 -0.00005 0.00067 -0.00128 0.00886 -0.00405 -0.00032 0.00018 0.00205 -0.00710 0.00105 -0.00005 0.00236 -0.01568 0.03659 -0.01133 0.00020 -0.00054 -0.00012 -0.00167 -0.00931 -0.00014 0.00054 -0.00308 0.00633 -0.00146 -0.00250 0.00258 0.00437 0.00153 0.00127 0.00004 -0.00018 0.00023 -0.00055 0.00056 -0.00520 0.00545 -0.00004 -0.00001 -0.00042 0.00002 -0.00004 0.00003 -0.00002 0.00001 -0.00175 0.00008 -0.00011 -0.00002 -0.00123 0.00004 -0.00010 0.00010 -0.00005 0.00003 -0.00505 0.00025 0.00023 0.00004 0.00260 -0.00007 0.00021 -0.00021 0.00009 -0.00011 0.01039 -0.00067 0.00058 0.00011 0.00451 -0.00023 0.00040 -0.00037 0.00031 0.00005 0.02080 -0.00041 0.00123 0.00006 -0.00982 0.00061 -0.00083 0.00066 -0.00102 -0.00061 -0.04011 -0.00143 -0.00644 -0.00067 -0.00830 -0.00107 -0.00020 0.00042 0.00310 0.00359 -0.05536 0.01856 0.11943 0.03818 0.08547 -0.00827 0.00138 -0.00034 -0.00331 0.03030 -0.67596 -0.19772 -0.01503 -0.00049 -0.01105 -0.00257 0.00295 0.00284 -0.00444 0.00446 -0.19212 -0.00110 -0.02242 0.00344 -0.09749 -0.00095 -0.00092 0.00054 0.01044 0.00008 0.01608 -0.02950 0.00311 -0.05216 -0.01620 -0.00676 0.01130 -0.00032 -0.04896 0.00087 0.01161 -0.00307 -0.09587 -0.01779 -0.07563 -0.00169 0.00371 -0.00102 0.00141 -0.00021 0.00225 -0.00024 -0.04657 0.01953 -0.17925 0.00110 -0.00670 0.00439 -0.00831 0.00161 -0.00539 0.00953 0.01822 -0.17086 -0.02551 -0.01810 0.04926 -0.02368 0.05174 -0.00516 -0.00093 0.00173 0.03606 0.00669 0.02866 0.00064 -0.00141 0.00039 -0.00053 0.00007 -0.00088 0.00012 0.01759 -0.00739 0.06771 -0.00042 0.00253 -0.00166 0.00314 -0.00060 0.00216 -0.00373 -0.00689 0.06462 0.00963 0.00688 -0.01866 0.00895 -0.01966 0.00184 0.00037 -0.00067 0.11089 0.02057 0.08603 0.00196 -0.00431 0.00123 -0.00180 0.00033 -0.00276 0.00001 0.05363 -0.02208 0.20637 -0.00121 0.00774 -0.00529 0.01012 -0.00209 0.00595 -0.01095 -0.02059 0.19405 0.02944 0.02058 -0.05654 0.02858 -0.06236 0.00711 0.00103 -0.00201 0.23247 0.04332 0.19648 0.00432 -0.00933 0.00257 -0.00338 0.00004 -0.00730 0.00198 0.11747 -0.04968 0.44949 -0.00300 0.01695 -0.01140 0.02165 -0.00359 0.01871 -0.03071 -0.04612 0.43378 0.06367 0.04731 -0.12687 0.06111 -0.13857 0.00894 0.00316 -0.00539 0.15484 0.03144 0.12953 0.00113 -0.00562 0.00249 -0.00275 0.00732 -0.03482 -0.01580 0.08019 -0.03137 0.29642 -0.00077 0.01207 -0.01359 0.02826 -0.01022 0.04545 -0.02916 -0.02794 0.26907 0.04249 0.02764 -0.08583 0.07717 -0.17553 0.03927 0.00850 -0.00681 -0.00251 -0.00266 -0.00069 -0.00022 0.00012 0.00285 -0.00674 0.00196 0.00185 0.00050 -0.00307 0.01418 0.00098 -0.00014 0.00205 -0.01280 0.03418 -0.00481 -0.00033 0.00084 0.00086 -0.00572 -0.00108 -0.00100 0.00089 0.00807 -0.01828 0.00704 0.00055 -0.00095 0.00499 0.00006 0.00670 -0.00009 0.00014 0.00088 -0.00222 0.00099 -0.00564 0.00170 -0.00455 -0.00299 0.00790 -0.00006 -0.00018 0.00247 -0.00604 0.00154 -0.00247 0.00291 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 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 4 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 5 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 6 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 7 H 1S 2S 3S 4S 5PX 5PY 5PZ 8 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 9 H 1S 2S 3S 4S 5PX 5PY 5PZ 10 H 1S 2S 3S 4S 5PX 5PY 5PZ 11 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 12 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 13 H 1S 2S 3S 4S 5PX 5PY 5PZ 14 H 1S 2S 3S 4S 5PX 5PY 5PZ 15 H 1S 2S 3S 4S 5PX 5PY 5PZ 16 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 17 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 18 H 1S 2S 3S 4S 5PX 5PY 5PZ 19 Cl 1S 2S 3S 4S 5S 6S 7S 7PX 7PY 7PZ 8PX 8PY 8PZ 9PX 9PY 9PZ 10PX 10PY 10PZ 11PX 11PY 11PZ 12PX 12PY 12PZ 13D 0 13D+1 13D-1 13D+2 13D-2 20 Cl 1S 2S 3S 4S 5S 6S 7S 7PX 7PY 7PZ 8PX 8PY 8PZ 9PX 9PY 9PZ 10PX 10PY 10PZ 11PX 11PY 11PZ 12PX 12PY 12PZ 13D 0 13D+1 13D-1 13D+2 13D-2 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 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 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|4 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|5 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|6 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|7 H 1S|2S|3S|4S|5PX|5PY|5PZ|8 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|9 H 1S|2S|3S|4S|5PX|5PY|5PZ|10 H 1S|2S|3S|4S|5PX|5PY|5PZ|11 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|12 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|13 H 1S|2S|3S|4S|5PX|5PY|5PZ|14 H 1S|2S|3S|4S|5PX|5PY|5PZ|15 H 1S|2S|3S|4S|5PX|5PY|5PZ|16 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|17 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|18 H 1S|2S|3S|4S|5PX|5PY|5PZ|19 Cl 1S|2S|3S|4S|5S|6S|7S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|11PX|11PY|11PZ|12PX|12PY|12PZ|13D 0|13D+1|13D-1|13D+2|13D-2|20 Cl 1S|2S|3S|4S|5S|6S|7S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|11PX|11PY|11PZ|12PX|12PY|12PZ|13D 0|13D+1|13D-1|13D+2|13D-2 1.10456 0.88456 0.24176 0.23910 0.14663 0.77159 0.54519 0.53630 0.38388 0.45988 0.26352 0.16227 0.30656 -0.07527 -0.08349 -0.12719 0.03191 0.00399 0.00576 0.01015 0.01827 0.02220 1.10436 0.88488 0.22540 0.23343 0.17785 0.74589 0.53499 0.53504 0.46082 0.44408 0.15430 0.21769 0.39563 0.05740 0.16465 -0.19444 -0.08423 0.00390 0.00528 0.00757 0.01648 0.01938 1.10452 0.88475 0.24701 0.20688 0.17064 0.76749 0.56178 0.48682 0.44783 0.38462 0.13289 0.02667 0.30729 1.16267 0.49650 0.22322 0.10565 0.00617 0.01296 0.01613 0.03325 0.02513 1.10434 0.88482 0.23116 0.23697 0.17377 0.75853 0.52842 0.53922 0.45707 0.40032 0.16582 0.25890 0.36488 -0.82875 0.05918 -0.23146 -0.10899 0.00467 0.00781 0.01095 0.02155 0.02556 1.10447 0.88459 0.24628 0.23071 0.15809 0.76557 0.54300 0.52773 0.40991 0.44827 0.24063 0.15018 0.32081 -0.22815 0.13022 -0.14411 0.02960 0.00398 0.00705 0.00812 0.02048 0.01900 1.10440 0.88465 0.23886 0.23697 0.16484 0.75850 0.53248 0.53466 0.42795 0.45360 0.14513 0.25258 0.34489 0.39173 -0.05084 0.17324 0.00411 0.00375 0.00849 0.00460 0.02238 0.01796 0.27082 0.47466 0.01967 0.00794 0.01401 0.00700 0.00456 1.10456 0.88452 0.23807 0.24520 0.14488 0.77308 0.54120 0.54401 0.38076 0.46056 0.20344 0.16634 0.29527 -0.82350 0.01332 -0.00365 0.03847 0.00403 0.00589 0.01041 0.01721 0.02264 0.26952 0.48402 -0.00331 -0.03946 0.01237 0.00743 0.00504 0.26984 0.48443 -0.01008 -0.05336 0.00405 0.01539 0.00531 1.10433 0.88466 0.23535 0.23880 0.17234 0.75204 0.53099 0.53319 0.44676 0.48285 0.25151 0.17887 0.35347 0.32806 0.13231 0.10529 -0.00962 0.00394 0.00557 0.00671 0.01627 0.02209 1.10455 0.88454 0.23048 0.24301 0.15519 0.77292 0.51115 0.54354 0.40406 0.44811 0.08506 0.20061 0.27927 -0.27336 0.01092 0.09047 0.01948 0.00531 0.01902 0.00581 0.02711 0.02366 0.26861 0.48148 -0.01230 -0.05589 0.01293 0.00726 0.00430 0.26806 0.47827 -0.02327 -0.05166 0.01297 0.00686 0.00541 0.26809 0.47589 -0.02699 -0.06191 0.00312 0.01628 0.00467 1.09526 0.89583 0.27103 0.26220 0.27258 0.85322 0.61476 0.60143 0.62436 0.65916 0.31610 0.30177 0.52681 -0.18752 -0.16929 -0.13569 -0.04485 0.00259 0.00351 0.00560 0.00997 0.01121 1.13305 0.85447 0.19348 0.15595 0.06314 0.67992 0.46115 0.40781 0.20385 0.23568 0.10640 -0.02542 0.14052 0.00329 0.11378 -0.00077 0.07189 0.01172 0.02685 0.02982 0.06018 0.05671 0.25707 0.39933 0.05010 0.07684 0.02633 0.01159 0.01001 0.77754 1.18740 0.89485 1.08791 0.99173 1.07339 -0.07579 -0.09519 -0.03479 -0.07742 1.54118 1.54710 1.54275 0.43045 0.41918 0.42762 0.38845 0.33276 0.37201 1.07382 0.85414 1.03180 0.49776 0.22738 0.50582 0.00288 0.00036 0.00374 0.00882 0.00395 0.77754 1.18740 0.89480 1.08795 0.99458 1.06562 -0.07693 -0.03107 -0.08248 -0.07916 1.54555 1.54247 1.54293 0.42203 0.42781 0.42725 0.34835 0.37945 0.37027 0.90334 1.00651 1.02453 0.30176 0.42264 0.49504 0.00307 0.00304 0.00112 0.00480 0.00853 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 C C C C C C H C H H C C H H H N B H Cl Cl 0.147858 -0.110363 -1.810885 0.935273 0.123572 -0.654955 0.201343 0.733288 0.264397 0.284416 -0.775803 0.209087 0.293613 0.303361 0.320847 0.209969 0.016538 0.168742 0.058421 0.081283 1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 8 11 12 16 17 19 20 C C C C C C C C C N B Cl Cl 0.349201 -0.110363 -1.810885 0.935273 0.387969 -0.370540 1.026901 -0.472442 0.529934 0.378711 0.016538 0.058421 0.081283 1.00000 213.608 -15.323 199.264 -2.687 14.686 80.680 194.129 -13.479 200.688 -2.429 13.609 90.378 -5.5971 -0.0017 0.0013 0.0015 20.0097 27.4762 40.4358 109.8438 160.6169 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 40.1761 109.6540 160.6000 176.5545 217.4778 236.7350 259.4979 373.7873 383.6111 434.7886 465.6713 482.0556 541.1373 546.7594 581.1610 636.4337 651.0905 786.8103 788.9334 800.2340 827.0468 857.5636 922.4963 925.4287 944.0540 995.8206 1024.5220 1046.5036 1047.8788 1087.5529 1106.5769 1119.3658 1170.0549 1213.4450 1253.4174 1273.4508 1279.1915 1348.0746 1396.9051 1407.7377 1454.6016 1504.5853 1528.4192 1632.4194 1652.1162 1665.8209 1715.7546 3208.6891 3212.9360 3221.5030 3237.1160 3243.1009 3255.7018 3496.8809 13.0408 5.1331 9.2835 4.3528 4.2692 13.6476 12.3626 14.0481 4.2811 4.4883 4.2199 3.0944 7.5410 7.1029 4.6699 3.4692 7.5690 2.8962 6.1216 1.3151 5.5683 1.5845 4.7520 1.3455 9.3022 1.3563 1.3805 1.2963 1.3560 3.6604 2.2572 2.6540 1.2570 1.3953 2.2250 1.6022 1.8144 2.2870 2.5059 6.9908 1.8576 2.4710 2.4166 2.6601 4.9242 4.8565 4.4651 1.0929 1.0909 1.0918 1.0979 1.0943 1.0999 1.0809 0.0124 0.0364 0.1411 0.0799 0.1190 0.4506 0.4905 1.1564 0.3712 0.4999 0.5391 0.4237 1.3011 1.2511 0.9293 0.8279 1.8905 1.0564 2.2449 0.4962 2.2440 0.6866 2.3826 0.6789 4.8846 0.7924 0.8538 0.8364 0.8772 2.5508 1.6285 1.9593 1.0139 1.2105 2.0595 1.5308 1.7492 2.4488 2.8810 8.1625 2.3157 3.2958 3.3261 4.1765 7.9189 7.9402 7.7445 6.6293 6.6348 6.6761 6.7783 6.7810 6.8692 7.7875 0.1180 0.7391 6.3281 2.7031 1.3471 9.2154 1.2197 2.0165 0.2456 3.7830 19.8793 9.4889 7.1948 10.4965 0.1278 0.2373 19.9247 34.8844 55.6503 22.5466 0.9035 92.4115 137.6059 22.7772 304.8505 0.2331 1.4722 4.2138 0.5665 69.2990 128.0376 56.6555 25.5984 93.0063 13.3886 46.4424 126.9423 5.8559 12.0093 73.1842 1.6262 13.2109 14.5460 112.7536 26.0286 108.4501 208.5311 0.3536 0.0205 0.8617 1.4130 2.2354 7.9050 560.2152 -0.00 0.02 -0.20 -0.00 0.01 -0.08 -0.00 0.01 -0.01 0.00 0.00 -0.02 -0.00 0.02 -0.16 -0.00 0.03 -0.26 -0.01 0.03 -0.25 -0.00 -0.02 0.11 -0.00 0.03 -0.17 -0.01 0.04 -0.37 -0.01 -0.03 0.25 -0.01 -0.03 0.22 0.00 -0.02 0.10 -0.01 -0.05 0.36 -0.01 -0.03 0.29 -0.01 -0.00 0.09 0.00 -0.00 -0.01 -0.01 0.01 0.02 -0.00 0.05 -0.35 0.02 -0.06 0.37 0.00 -0.02 0.21 0.00 -0.02 0.20 -0.00 -0.01 0.12 0.00 0.01 -0.10 0.00 0.02 -0.15 0.01 -0.01 0.06 0.01 -0.02 0.31 -0.00 0.02 -0.24 0.00 0.03 -0.34 0.01 -0.01 0.06 -0.01 0.00 -0.09 -0.01 -0.02 0.17 -0.00 0.04 -0.46 -0.01 0.01 -0.18 -0.01 -0.03 0.29 -0.00 -0.02 0.25 0.00 -0.00 0.06 -0.01 -0.03 0.35 0.02 0.02 -0.11 -0.01 -0.00 -0.07 0.07 0.18 0.01 -0.01 0.18 -0.01 -0.05 0.10 -0.02 0.01 -0.01 -0.01 0.11 -0.01 0.00 0.15 0.08 0.01 0.11 0.25 0.03 -0.06 -0.14 -0.00 0.14 -0.06 0.01 0.23 0.08 0.03 -0.19 -0.14 -0.00 -0.25 -0.03 -0.01 0.00 -0.24 0.01 -0.24 -0.24 0.01 -0.36 -0.02 -0.00 -0.17 0.10 -0.02 0.03 0.10 0.01 -0.22 0.18 -0.02 0.28 0.05 0.03 -0.14 -0.19 -0.02 0.00 -0.03 0.19 0.00 0.01 -0.08 0.00 0.02 -0.22 0.00 0.03 -0.22 -0.00 0.01 -0.12 -0.00 -0.02 0.17 0.00 -0.05 0.41 0.00 0.01 -0.04 -0.00 0.02 -0.15 0.00 -0.04 0.37 0.01 -0.02 0.24 0.01 -0.01 0.13 0.00 0.01 -0.01 0.01 -0.05 0.51 0.01 -0.03 0.26 0.01 0.02 -0.17 -0.00 0.00 -0.04 0.01 0.02 -0.20 -0.01 -0.01 0.03 0.00 0.00 0.00 0.01 -0.03 0.17 0.01 -0.03 0.23 0.01 -0.02 0.07 0.01 -0.01 0.04 0.00 0.02 -0.21 0.01 0.01 -0.18 0.01 -0.04 0.31 0.01 -0.02 0.18 0.00 0.04 -0.40 0.00 0.03 -0.38 0.02 -0.01 0.10 0.02 0.02 -0.17 0.01 -0.03 0.30 0.02 -0.01 0.17 0.03 0.04 -0.37 0.02 0.00 -0.14 -0.01 -0.00 0.15 0.02 0.01 -0.23 -0.00 0.03 -0.02 -0.04 -0.00 -0.04 -0.16 -0.02 0.06 -0.05 -0.02 0.06 -0.10 0.02 0.02 -0.13 0.03 0.01 -0.18 0.04 -0.05 -0.20 0.02 -0.02 -0.19 -0.08 0.09 -0.17 -0.02 0.04 -0.20 0.08 -0.11 -0.22 0.03 -0.07 -0.23 -0.03 0.02 -0.24 -0.01 -0.04 -0.13 -0.09 0.07 -0.24 -0.05 0.04 -0.26 -0.00 -0.09 -0.19 0.03 -0.03 0.10 -0.14 0.01 -0.22 0.07 -0.04 0.22 -0.17 -0.03 0.37 0.19 0.01 -0.09 -0.13 -0.05 -0.08 -0.12 -0.04 -0.08 -0.20 -0.04 -0.13 -0.13 -0.03 -0.16 -0.14 0.01 -0.13 -0.12 0.00 -0.11 -0.16 -0.07 -0.06 0.01 -0.02 -0.15 -0.16 0.05 -0.13 -0.12 0.03 0.12 0.02 0.01 0.19 -0.09 0.01 -0.14 0.14 -0.03 0.19 0.13 0.03 0.28 -0.10 0.03 0.10 -0.20 -0.02 -0.15 0.15 0.01 0.16 -0.29 -0.04 0.33 0.15 0.02 -0.18 0.21 0.04 -0.12 -0.05 -0.07 0.11 -0.04 0.07 0.01 -0.11 -0.00 -0.09 -0.03 -0.01 -0.22 -0.03 0.09 -0.21 0.01 -0.02 -0.21 -0.20 -0.18 -0.08 0.01 -0.11 -0.24 -0.01 0.19 -0.22 0.02 -0.05 -0.05 -0.02 0.05 -0.00 -0.10 0.04 -0.08 0.03 -0.24 -0.01 0.03 0.12 0.05 -0.11 0.07 -0.02 -0.12 -0.10 0.26 0.09 0.13 -0.03 -0.09 -0.17 -0.04 0.40 0.06 0.21 -0.25 -0.06 0.02 0.02 -0.11 -0.01 -0.02 0.18 -0.00 0.02 0.03 0.01 0.00 0.00 0.04 -0.02 0.19 0.03 0.01 -0.07 0.03 0.06 -0.27 0.01 0.03 -0.23 0.05 -0.05 0.38 0.03 0.02 -0.16 0.00 -0.01 0.12 -0.00 0.01 0.09 -0.00 0.07 -0.51 -0.00 -0.03 0.24 -0.02 0.00 0.15 -0.00 0.04 -0.20 -0.03 -0.06 0.24 -0.00 0.06 -0.33 0.00 -0.06 -0.03 -0.03 0.04 -0.02 -0.14 -0.13 -0.03 0.05 -0.08 -0.01 0.18 0.11 -0.02 0.21 0.09 -0.01 -0.05 0.12 0.03 -0.18 -0.07 -0.00 -0.18 -0.21 -0.04 0.16 -0.12 -0.00 -0.19 0.35 0.08 -0.30 -0.08 0.01 -0.01 -0.16 -0.04 -0.07 -0.05 0.00 0.27 -0.30 0.05 -0.07 -0.26 -0.04 -0.22 -0.05 0.05 0.05 0.12 0.02 -0.01 -0.01 0.04 -0.03 0.24 0.07 0.02 0.03 0.00 -0.06 0.04 0.00 0.02 0.02 -0.12 -0.00 -0.00 0.06 -0.02 0.01 -0.16 -0.02 0.02 -0.28 0.01 -0.02 0.03 0.02 -0.00 0.06 0.02 0.04 -0.17 -0.02 0.00 0.14 0.02 -0.07 0.33 0.04 -0.03 0.31 -0.00 0.03 -0.05 0.00 0.02 -0.08 -0.02 -0.04 0.59 0.00 0.03 0.07 0.02 0.02 -0.06 -0.01 -0.03 0.14 0.01 -0.05 0.33 -0.00 -0.06 0.32 -0.00 0.00 -0.03 0.00 0.00 -0.03 -0.01 0.02 -0.15 0.00 -0.00 0.03 0.01 -0.02 0.21 0.01 0.01 -0.08 -0.00 0.02 -0.11 -0.01 -0.02 0.18 -0.01 0.05 -0.48 0.01 0.00 -0.07 -0.01 0.04 -0.22 -0.00 -0.04 0.36 0.00 -0.03 0.17 -0.00 0.02 -0.17 0.01 0.01 -0.20 -0.00 -0.04 0.27 -0.00 0.06 -0.51 0.00 -0.00 0.05 -0.00 0.01 -0.06 -0.00 0.02 -0.09 0.00 -0.00 0.01 -0.00 -0.00 0.01 0.05 0.16 0.02 0.10 0.09 0.02 0.07 -0.08 -0.01 -0.07 0.13 0.01 -0.09 0.26 0.03 -0.05 0.38 0.04 -0.04 0.02 -0.01 -0.17 -0.11 -0.01 -0.04 0.19 0.02 -0.10 0.38 0.04 -0.01 -0.16 -0.02 0.11 -0.33 -0.04 -0.10 -0.22 -0.01 0.13 0.07 0.03 0.09 -0.34 -0.02 0.15 -0.18 -0.02 0.05 0.04 0.01 0.12 -0.13 -0.02 -0.02 -0.08 -0.01 -0.04 0.02 0.00 -0.25 0.31 0.04 -0.13 0.25 0.04 -0.10 0.10 0.01 0.02 -0.17 -0.03 -0.16 -0.20 -0.02 -0.09 0.02 -0.00 -0.22 0.37 0.04 0.13 -0.17 -0.02 -0.18 -0.17 0.00 0.24 0.03 0.00 0.26 -0.17 -0.02 0.12 0.05 0.00 0.06 -0.05 0.01 0.22 -0.24 -0.03 -0.03 0.05 0.02 0.09 0.08 0.01 0.00 0.01 0.01 0.17 -0.04 0.00 -0.02 -0.03 -0.01 0.04 -0.01 -0.00 -0.00 0.02 -0.08 -0.00 0.03 -0.23 -0.00 -0.01 0.04 -0.00 -0.03 0.24 -0.00 0.02 -0.19 0.00 -0.02 0.18 -0.00 0.02 -0.10 0.00 -0.00 0.05 -0.01 0.06 -0.59 0.01 -0.03 0.27 0.00 0.01 -0.08 0.00 -0.01 0.11 -0.00 0.02 -0.18 -0.00 0.03 -0.32 0.00 -0.02 0.17 -0.00 0.01 -0.10 0.01 -0.06 0.34 0.00 0.02 -0.23 -0.00 0.00 -0.02 -0.00 0.01 -0.03 0.00 0.01 -0.11 -0.01 -0.03 0.26 -0.01 0.00 0.03 -0.01 0.01 -0.05 0.01 0.01 -0.08 0.01 -0.02 0.12 0.00 0.06 -0.53 -0.01 -0.01 0.11 0.01 0.03 -0.20 0.00 -0.02 0.12 0.00 0.02 -0.17 0.01 -0.02 0.15 -0.01 -0.05 0.39 0.01 0.02 -0.10 -0.01 -0.06 0.52 0.01 0.03 -0.17 -0.01 0.02 -0.15 0.01 0.01 0.01 0.00 0.00 0.01 0.00 -0.00 0.01 -0.01 0.12 0.01 0.24 0.08 0.03 0.12 -0.16 -0.02 0.14 -0.11 -0.02 -0.18 -0.12 -0.01 -0.08 0.12 0.02 -0.12 -0.06 -0.05 0.32 0.15 0.02 -0.19 -0.11 -0.02 0.11 0.13 0.02 -0.09 0.15 0.00 -0.11 0.05 0.03 0.36 0.09 0.04 -0.23 -0.10 -0.04 0.17 0.03 0.03 -0.23 -0.22 -0.04 0.18 0.12 -0.00 -0.27 -0.18 -0.02 -0.01 -0.08 -0.01 -0.07 0.03 0.01 0.01 -0.01 0.02 0.04 0.01 -0.12 0.02 -0.02 0.30 -0.02 0.01 -0.16 -0.02 -0.03 -0.02 -0.01 -0.00 -0.10 -0.00 -0.08 0.43 -0.04 -0.01 0.04 -0.01 -0.11 0.54 0.02 -0.06 0.46 -0.01 0.01 -0.08 -0.00 -0.00 0.07 -0.05 -0.01 0.18 0.01 0.02 0.04 -0.03 -0.00 0.11 0.02 0.04 -0.07 0.05 0.01 0.02 0.01 0.07 -0.24 -0.00 -0.01 -0.00 -0.01 0.01 -0.00 0.07 -0.06 -0.01 0.27 -0.00 0.03 0.11 0.08 -0.09 -0.12 -0.07 0.05 -0.14 -0.19 -0.02 -0.02 -0.06 0.03 -0.03 -0.23 -0.17 -0.25 -0.05 -0.02 -0.09 -0.29 -0.22 0.08 -0.04 -0.16 -0.02 -0.01 0.02 -0.01 0.07 -0.03 -0.34 0.08 -0.03 0.07 0.14 0.07 -0.21 0.08 0.03 0.12 0.21 0.05 0.30 0.12 0.00 0.08 0.27 0.14 -0.02 -0.05 -0.01 -0.07 0.03 0.01 -0.00 0.00 0.04 -0.00 0.01 -0.07 -0.00 -0.01 0.07 0.00 0.00 -0.01 0.00 -0.01 0.06 0.00 -0.01 0.02 -0.00 0.03 -0.14 0.00 0.01 -0.07 -0.00 0.05 -0.34 0.00 0.03 -0.35 -0.00 0.01 -0.05 0.00 0.00 -0.05 0.02 -0.05 0.40 0.01 -0.04 0.62 0.00 -0.04 0.33 -0.00 -0.00 -0.02 -0.00 -0.01 0.03 -0.00 -0.03 0.23 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.25 -0.14 -0.01 0.00 -0.14 -0.03 -0.10 -0.05 0.01 -0.07 -0.07 -0.03 -0.13 0.05 0.02 -0.03 0.31 0.04 0.14 -0.33 -0.07 0.08 -0.11 -0.01 -0.02 -0.13 -0.06 -0.24 0.31 -0.03 0.21 -0.14 -0.02 -0.03 0.25 0.03 -0.01 0.04 0.04 0.05 -0.42 -0.05 -0.15 0.26 0.05 -0.11 0.07 0.00 -0.07 -0.04 -0.00 -0.03 -0.06 0.01 0.01 0.02 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.07 -0.00 -0.01 0.05 -0.00 0.00 -0.05 0.00 -0.02 0.15 -0.01 0.01 -0.10 -0.00 0.01 -0.03 0.01 -0.04 0.31 0.01 0.01 -0.06 0.00 -0.04 0.36 0.01 -0.05 0.55 0.00 -0.00 -0.01 -0.00 0.01 -0.07 0.01 -0.01 0.08 0.01 -0.05 0.44 -0.01 -0.03 0.31 -0.00 -0.00 -0.00 -0.01 -0.00 -0.02 -0.01 -0.04 0.33 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.05 -0.04 -0.02 0.03 0.05 0.02 -0.09 -0.03 -0.03 -0.04 0.05 0.03 0.15 0.17 0.01 -0.05 -0.17 -0.02 -0.01 0.02 0.05 -0.06 -0.07 -0.04 0.03 0.37 0.04 -0.31 -0.19 0.01 0.17 -0.06 -0.05 0.03 0.11 0.04 -0.12 0.01 0.19 0.16 -0.12 0.19 0.08 0.13 -0.11 -0.14 -0.10 0.03 0.12 0.35 0.05 -0.10 -0.15 -0.44 -0.01 -0.07 -0.01 0.01 -0.01 -0.00 -0.01 -0.01 0.02 0.01 0.01 -0.02 -0.01 -0.01 0.04 -0.01 0.01 -0.03 0.03 0.03 0.01 -0.01 -0.03 -0.01 -0.01 0.01 -0.05 -0.01 -0.02 0.05 0.01 0.05 0.02 -0.05 -0.03 -0.04 0.03 -0.02 0.06 0.01 0.02 -0.05 -0.03 0.05 -0.31 0.02 0.01 -0.33 0.02 -0.01 0.22 -0.02 -0.01 -0.09 0.02 0.04 0.02 -0.02 -0.12 0.83 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.14 -0.08 -0.01 -0.07 -0.01 -0.01 0.06 0.01 0.01 0.03 -0.03 -0.01 -0.17 -0.11 -0.00 -0.01 0.04 0.01 0.18 -0.02 0.01 0.08 0.07 0.02 -0.16 -0.15 -0.05 0.01 0.03 -0.01 -0.12 0.04 0.02 -0.02 -0.13 -0.02 0.14 -0.02 -0.05 -0.10 0.10 -0.05 -0.11 -0.13 0.02 0.14 0.11 0.00 -0.44 0.59 0.11 0.00 0.29 0.08 -0.01 -0.08 -0.01 0.11 -0.08 -0.02 0.00 0.02 -0.13 0.00 -0.00 0.04 -0.00 -0.00 0.01 -0.00 0.00 -0.02 -0.00 -0.01 0.10 -0.00 -0.00 -0.01 0.01 -0.07 0.70 -0.00 -0.00 -0.02 -0.01 0.08 -0.63 0.01 -0.02 0.16 -0.00 -0.00 0.02 0.00 0.00 0.01 0.01 -0.03 0.12 -0.01 0.01 -0.14 0.01 0.01 -0.06 0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.01 0.06 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.03 -0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.04 -0.00 0.00 -0.03 0.00 -0.00 -0.01 0.00 0.02 -0.13 -0.01 0.01 -0.14 -0.01 0.00 0.11 0.01 -0.01 0.05 -0.01 -0.01 0.09 0.00 0.00 0.03 0.02 -0.12 0.78 -0.03 0.03 -0.50 0.02 0.02 -0.17 0.01 0.00 -0.03 0.00 0.00 0.00 0.01 -0.02 0.15 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 -0.00 0.00 0.01 -0.01 -0.00 0.01 -0.00 0.00 -0.02 0.00 0.00 -0.02 -0.00 -0.01 0.04 0.01 -0.01 0.15 0.01 0.01 -0.00 0.00 -0.01 0.12 -0.02 0.02 -0.24 0.01 -0.01 0.07 -0.00 0.00 -0.12 -0.00 0.03 0.05 -0.00 0.03 -0.35 -0.06 -0.09 0.75 0.00 -0.01 0.05 0.01 -0.00 -0.00 0.00 0.04 -0.41 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.08 -0.00 -0.00 -0.01 -0.00 -0.00 -0.02 -0.00 0.00 -0.00 0.00 -0.01 0.07 0.00 0.01 -0.13 -0.01 0.04 -0.45 0.00 0.00 0.01 -0.01 0.06 -0.41 0.02 -0.08 0.69 0.00 -0.00 0.02 -0.00 0.00 -0.04 0.00 0.00 -0.03 0.00 0.01 -0.09 -0.02 -0.03 0.27 -0.00 -0.00 0.02 0.00 0.00 0.00 0.00 0.01 -0.17 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.21 0.03 0.00 0.09 -0.05 -0.01 0.15 -0.09 -0.01 0.05 -0.04 -0.01 0.10 0.01 -0.00 0.04 0.10 0.02 -0.40 -0.27 -0.00 -0.14 -0.12 -0.01 0.22 -0.18 -0.01 0.34 0.13 -0.02 -0.09 0.03 0.01 0.05 0.22 0.01 -0.05 -0.30 -0.05 -0.16 -0.06 -0.02 0.32 0.22 0.14 0.01 -0.03 0.00 -0.17 0.03 0.01 0.05 -0.08 -0.07 0.00 0.00 0.00 0.02 -0.01 -0.00 -0.06 0.00 -0.00 0.08 -0.01 -0.00 0.11 0.03 0.00 0.01 0.01 0.00 0.01 -0.02 -0.00 0.03 0.02 0.00 -0.14 -0.12 -0.01 -0.04 0.05 -0.00 0.05 -0.08 -0.03 0.21 0.03 0.00 0.18 -0.02 0.00 -0.06 -0.10 -0.01 -0.29 0.45 0.11 0.40 0.32 -0.00 -0.28 -0.10 -0.05 -0.13 -0.00 -0.00 -0.12 -0.03 -0.00 -0.30 0.23 0.03 0.01 0.01 0.00 0.01 -0.01 -0.00 0.16 0.06 0.01 0.08 0.07 0.01 0.07 0.03 0.00 0.06 0.06 0.00 -0.13 -0.02 -0.00 -0.04 -0.12 -0.01 0.33 0.34 0.02 -0.10 -0.09 -0.00 -0.44 0.45 0.07 0.06 -0.13 -0.03 0.01 0.01 0.00 0.03 0.09 0.00 0.00 -0.27 -0.07 0.12 0.21 0.01 0.22 0.08 0.07 -0.06 -0.07 -0.00 -0.14 -0.09 -0.01 -0.03 -0.10 -0.04 0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.02 -0.00 -0.03 -0.02 -0.00 -0.04 0.05 0.01 0.02 0.01 0.00 0.02 -0.03 -0.00 -0.03 0.04 0.00 -0.04 -0.10 -0.01 0.01 -0.07 -0.01 0.15 -0.24 -0.02 -0.16 0.04 0.01 0.01 0.06 0.01 -0.00 -0.01 -0.00 0.28 -0.50 -0.06 0.34 0.63 0.04 0.00 -0.02 0.01 -0.04 -0.01 -0.00 0.03 0.02 0.00 -0.04 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.04 -0.00 -0.08 -0.05 -0.01 -0.04 -0.04 -0.00 0.04 -0.03 -0.00 -0.04 0.02 0.00 0.08 0.03 0.01 -0.10 -0.17 -0.01 -0.01 0.00 0.00 -0.34 0.51 0.07 0.69 0.06 -0.02 -0.01 -0.01 0.00 0.02 -0.01 -0.00 0.04 -0.07 -0.02 0.11 0.21 0.02 -0.05 -0.00 -0.00 -0.02 0.04 0.00 0.08 0.03 0.00 -0.01 0.02 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.06 -0.07 -0.01 -0.05 0.11 0.01 -0.12 0.23 0.03 -0.04 -0.05 -0.01 0.00 -0.04 -0.00 -0.09 -0.14 -0.01 0.04 0.02 0.00 0.09 -0.29 -0.03 0.67 -0.01 -0.02 0.07 -0.01 -0.00 -0.03 -0.01 -0.00 0.25 -0.30 -0.04 -0.12 -0.36 -0.02 -0.03 -0.01 -0.00 0.01 -0.08 -0.01 -0.01 0.02 0.00 0.06 -0.14 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.05 0.06 0.01 -0.02 -0.12 -0.01 0.06 -0.14 -0.02 -0.03 0.02 0.00 -0.01 0.03 0.00 -0.00 -0.00 -0.00 0.30 0.68 0.07 0.00 0.02 0.00 0.05 -0.07 -0.01 0.03 0.00 -0.00 0.03 -0.00 -0.00 -0.06 0.05 0.01 0.11 -0.15 -0.02 0.10 0.12 0.01 -0.56 0.09 -0.02 0.04 0.01 -0.00 0.02 0.02 0.00 0.04 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 -0.04 -0.00 -0.13 -0.09 -0.01 0.09 0.07 0.01 0.06 0.04 0.00 -0.06 -0.02 -0.00 0.02 0.04 0.00 0.26 0.45 0.04 -0.04 -0.02 -0.00 0.11 -0.30 -0.04 0.06 0.05 0.00 0.00 -0.02 -0.00 0.06 -0.01 -0.01 -0.13 0.11 0.02 -0.07 -0.14 -0.02 0.63 -0.05 0.02 -0.08 -0.01 0.00 0.09 0.04 0.00 -0.23 0.21 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.03 0.00 -0.01 -0.12 -0.01 -0.03 0.17 0.02 0.08 -0.01 -0.00 0.05 -0.06 -0.01 -0.05 0.06 0.01 0.03 0.08 0.01 0.01 -0.11 -0.01 -0.09 0.19 0.02 0.01 0.07 0.01 -0.03 0.06 0.01 -0.10 0.03 0.00 -0.41 0.55 0.07 0.01 0.16 0.01 -0.17 0.04 0.00 0.08 -0.11 -0.01 0.02 0.04 0.01 0.31 -0.45 -0.04 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.03 -0.11 -0.01 -0.17 0.18 0.02 0.12 -0.01 -0.00 0.11 0.06 0.01 -0.10 0.03 0.00 0.05 -0.03 -0.00 -0.05 -0.27 -0.03 -0.06 0.03 0.00 0.17 -0.44 -0.05 0.07 -0.04 -0.00 -0.01 -0.04 -0.00 0.00 0.06 0.01 -0.08 0.07 0.02 0.03 0.02 0.00 -0.55 0.10 -0.00 0.00 -0.08 -0.01 0.04 -0.00 -0.00 0.23 -0.42 -0.04 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.06 0.16 0.02 0.11 -0.12 -0.01 -0.27 -0.17 -0.02 0.36 0.20 0.02 0.04 -0.13 -0.02 -0.15 -0.01 0.00 -0.10 -0.10 -0.01 -0.11 0.16 0.02 0.18 -0.36 -0.05 0.01 0.00 -0.00 -0.10 -0.22 -0.02 0.19 -0.01 -0.00 -0.14 0.23 0.04 0.12 0.16 0.01 -0.07 0.01 -0.00 -0.10 0.15 0.02 -0.02 0.01 0.00 0.22 -0.32 -0.03 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.07 -0.01 0.08 0.06 0.01 -0.04 -0.01 -0.00 -0.06 -0.04 -0.00 -0.04 0.14 0.02 -0.05 -0.05 -0.00 0.17 0.22 0.02 0.11 -0.05 -0.01 0.24 -0.30 -0.04 0.47 -0.03 -0.01 -0.08 -0.08 -0.01 -0.02 0.02 0.00 -0.10 0.30 0.04 0.19 0.41 0.03 0.34 0.01 0.01 0.01 0.04 0.00 -0.03 -0.01 -0.00 0.16 -0.17 -0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 0.09 0.14 0.01 -0.13 -0.02 -0.00 0.05 -0.14 -0.02 -0.04 0.13 0.01 0.00 -0.02 -0.00 -0.03 -0.06 -0.01 -0.25 -0.45 -0.04 0.07 -0.09 -0.01 0.02 -0.06 -0.01 -0.06 -0.07 -0.01 -0.02 -0.03 -0.00 -0.10 0.07 0.01 -0.16 0.29 0.04 0.15 0.25 0.02 0.30 0.06 0.01 0.08 -0.02 -0.00 0.03 -0.00 -0.00 -0.25 0.48 0.05 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.09 -0.01 0.00 0.02 -0.03 -0.00 0.05 0.02 0.00 -0.09 0.08 0.01 -0.05 -0.08 -0.01 0.21 0.02 0.00 -0.09 0.03 0.00 0.05 0.08 0.01 -0.25 0.20 0.03 -0.55 -0.02 0.01 -0.05 -0.17 -0.02 -0.04 0.04 0.00 0.11 0.03 0.00 0.22 0.27 0.02 0.30 0.03 0.01 -0.01 0.02 0.00 -0.01 0.01 0.00 0.26 -0.39 -0.04 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.08 -0.11 -0.01 0.08 0.06 0.01 -0.11 -0.00 0.00 -0.00 0.13 0.01 -0.04 -0.05 -0.01 0.11 0.04 0.00 0.08 0.17 0.02 0.09 -0.14 -0.02 -0.09 0.01 0.00 -0.14 0.03 0.01 -0.10 0.03 0.00 0.18 0.04 0.00 -0.18 0.28 0.03 -0.09 0.10 0.01 -0.47 0.09 0.00 0.00 -0.07 -0.01 -0.01 -0.01 -0.00 -0.40 0.52 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 0.06 0.26 0.03 0.00 -0.23 -0.03 0.03 0.13 0.01 -0.04 -0.13 -0.01 -0.18 0.23 0.03 0.15 -0.15 -0.02 -0.32 -0.36 -0.03 0.05 -0.06 -0.01 0.13 -0.32 -0.04 -0.21 -0.21 -0.02 -0.08 0.04 0.00 0.20 -0.03 -0.00 -0.04 0.07 0.01 -0.11 0.01 0.00 -0.41 0.00 -0.01 -0.10 0.01 0.00 -0.00 0.02 0.00 -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.07 -0.02 -0.00 0.06 0.01 0.00 -0.12 -0.17 -0.02 0.14 0.11 0.01 -0.15 0.06 0.01 0.20 -0.03 -0.00 -0.05 0.04 0.00 -0.02 -0.19 -0.02 -0.01 -0.21 -0.02 -0.25 -0.06 -0.00 0.15 0.26 0.03 -0.17 -0.12 -0.01 -0.20 0.05 0.01 -0.16 -0.27 -0.02 0.37 -0.19 -0.02 -0.00 0.15 0.02 -0.01 -0.00 -0.00 0.33 -0.34 -0.03 0.00 0.00 -0.00 0.00 0.00 0.00 -0.04 -0.00 -0.00 0.08 -0.03 -0.00 -0.20 0.09 0.01 0.19 -0.11 -0.01 -0.12 0.12 0.01 0.13 -0.03 -0.00 -0.03 0.03 0.00 -0.11 0.16 0.02 0.07 -0.21 -0.02 -0.10 -0.06 -0.00 0.05 -0.10 -0.01 -0.18 0.09 0.01 0.10 -0.18 -0.02 0.14 0.03 0.00 0.18 0.09 0.01 0.18 -0.17 -0.02 -0.00 -0.00 -0.00 -0.34 0.64 0.06 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.07 -0.05 -0.00 -0.12 -0.07 -0.01 -0.00 0.05 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.82 0.51 0.05 -0.14 0.08 0.01 -0.00 -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 -0.04 -0.00 0.00 0.03 0.00 -0.17 0.10 0.01 -0.01 -0.01 -0.00 0.77 0.46 0.05 0.02 -0.36 -0.04 0.00 -0.00 -0.00 0.00 0.00 0.00 0.12 0.08 0.01 -0.02 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.07 0.04 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.01 -0.00 0.01 -0.02 -0.00 0.80 -0.46 -0.06 -0.00 -0.00 -0.00 0.25 0.15 0.02 -0.02 0.24 0.03 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.03 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.03 -0.01 -0.00 0.01 -0.08 -0.01 -0.29 0.16 0.02 -0.00 -0.00 -0.00 0.24 0.14 0.01 -0.05 0.89 0.10 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.06 0.04 0.00 0.00 -0.04 -0.00 0.13 0.08 0.01 0.73 -0.42 -0.05 0.02 0.50 0.06 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.04 -0.02 -0.00 -0.01 -0.08 -0.01 -0.05 -0.03 -0.00 -0.44 0.25 0.03 0.05 0.85 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.06 -0.04 -0.00 0.00 0.00 0.00 0.83 0.55 0.06 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 6 6 6 6 6 6 1 6 1 1 6 6 1 1 1 7 5 1 17 17 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 6 6 6 6 6 6 1 6 1 1 6 6 1 1 1 7 5 1 17 17 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 1.00783 12.00000 12.00000 1.00783 1.00783 1.00783 14.00307 11.00931 1.00783 34.96885 34.96885 210.00486 1762.38188 3804.94692 5564.79063 0.99971 0.02356 0.00465 -0.02278 0.99157 -0.12752 -0.00762 0.12737 0.99183 asymmetric 1 0.04915 0.02276 0.01556 1.02404 0.47431 0.32431 388486.7 57.80 157.77 231.07 254.02 312.90 340.61 373.36 537.80 551.93 625.56 670.00 693.57 778.58 786.66 836.16 915.69 936.77 1132.04 1135.10 1151.36 1189.94 1233.84 1327.27 1331.49 1358.28 1432.76 1474.06 1505.69 1507.66 1564.75 1592.12 1610.52 1683.45 1745.88 1803.39 1832.21 1840.47 1939.58 2009.83 2025.42 2092.85 2164.76 2199.05 2348.69 2377.03 2396.74 2468.59 4616.59 4622.70 4635.02 4657.49 4666.10 4684.23 5031.23 0.147967 0.158215 0.159160 0.110816 -1346.913999 -1346.903751 -1346.902807 -1346.951151 99.282 39.696 101.748 0.000 0.000 0.000 0.889 2.981 41.930 0.889 2.981 31.990 97.504 33.735 27.829 1 0.594 1.981 5.250 2 0.606 1.941 3.275 3 0.622 1.891 2.543 4 0.628 1.871 2.365 5 0.646 1.814 1.980 6 0.656 1.784 1.827 7 0.668 1.747 1.665 8 0.745 1.526 1.064 9 0.753 1.505 1.025 10 0.795 1.394 0.843 11 0.823 1.326 0.750 12 0.838 1.290 0.705 13 0.896 1.159 0.563 14 0.902 1.147 0.551 15 0.938 1.072 0.483 0.106756e-50 -50.971606 -117.366460 0.122552e+18 17.088319 39.347308 0.408133e-65 -65.389198 -150.564193 1 0.514984e+01 0.711793 1.638965 2 0.186793e+01 0.271362 0.624833 3 0.125858e+01 0.099881 0.229984 4 0.113895e+01 0.056505 0.130109 5 0.910491e+00 -0.040724 -0.093771 6 0.829496e+00 -0.081186 -0.186937 7 0.748674e+00 -0.125707 -0.289451 8 0.485802e+00 -0.313541 -0.721954 9 0.470131e+00 -0.327781 -0.754744 10 0.399242e+00 -0.398764 -0.918189 11 0.363535e+00 -0.439454 -1.011881 12 0.346332e+00 -0.460508 -1.060358 13 0.292466e+00 -0.533925 -1.229407 14 0.287915e+00 -0.540736 -1.245091 15 0.261898e+00 -0.581869 -1.339802 0.468518e+03 2.670727 6.149576 1 0.567405e+01 0.753893 1.735903 2 0.243370e+01 0.386266 0.889411 3 0.185426e+01 0.268171 0.617486 4 0.174387e+01 0.241514 0.556107 5 0.153875e+01 0.187167 0.430968 6 0.146854e+01 0.166885 0.384266 7 0.140029e+01 0.146216 0.336676 8 0.119714e+01 0.078145 0.179935 9 0.118631e+01 0.074199 0.170849 10 0.113984e+01 0.056843 0.130887 11 0.111819e+01 0.048515 0.111710 12 0.110823e+01 0.044631 0.102766 13 0.107925e+01 0.033124 0.076271 14 0.107697e+01 0.032204 0.074152 15 0.106444e+01 0.027120 0.062447 0.100000e+01 0.000000 0.000000 0.119618e+09 8.077798 18.599817 0.218673e+07 6.339794 14.597916 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 8.0796 -1.3984 -0.3032 8.2053 -54.8664 -57.2128 -88.1749 -6.1611 -1.0197 3.4945 11.8850 9.5386 -21.4236 -6.1611 -1.0197 3.4945 103.8532 -3.7669 6.3824 34.7824 -8.3492 0.1464 -8.5126 -3.4383 1.8127 4.9627 -2168.5794 -1013.5235 -119.0029 -42.7601 -4.6088 -18.3787 -38.1097 9.5336 -79.9731 -527.6654 -473.8773 -245.8094 -8.0687 -3.1737 7.3385 0 -1347.0619662 3.198E-9 1.581E-5 0.1479668 0.1582154 -1346.9037508 -1346.9028066 -1346.9511506 8.8362106,7.0916844,-15.9278951,-4.5806339,-0.7581004,2.5981029 C01 [X(C9H7B1Cl2N1)] 3.2194326 -0.4987683 -0.0601434 0.3503154 -0.0602298 -0.0094543 0.4997974 0.1751577 0.0184189 0.0650848 0.0302863 -0.0006316 -1.0681878 -0.1644075 -0.0129599 -0.5526503 -0.7554643 -0.0770732 -0.0573358 -0.0811278 -0.1406806 0.5874485 -0.3584556 -0.0383028 -0.1490254 0.0885371 -0.0090171 -0.0241083 -0.0115391 0.172404 -0.6406023 0.4318499 0.0507368 -0.1601207 -0.1474429 -0.0196216 -0.0198747 -0.025265 0.0203468 0.2167281 0.0275994 0.0024682 -0.1449053 0.2392788 0.0350478 -0.0157552 0.0382854 -0.067022 -0.6406431 0.1117982 0.0148002 0.0288284 0.18186 0.0308572 0.0041845 0.0273458 -0.1142502 0.0835949 0.0499605 0.0048468 0.0522222 0.1182507 -0.0010668 0.0058954 -0.0029069 0.1177122 0.4307331 -0.2893414 -0.0324543 -0.0436407 0.7285394 0.0811138 -0.0025296 0.0826543 0.0195758 0.0145396 -0.0530384 -0.0062535 -0.0020654 0.0911275 -0.007187 -0.0028815 -0.0081768 0.1487902 0.0883994 -0.003038 0.0004477 -0.0132742 0.0006647 -0.0172395 -0.0007373 -0.0174153 0.1611083 -0.0332564 -0.4667238 -0.0534257 -0.1389245 -0.8066154 -0.0718883 -0.0160425 -0.0708497 -0.1516324 0.5945652 0.6609703 0.0685451 -0.0126031 0.2701377 0.0166088 -0.0013677 0.014209 0.1180548 0.0840308 -0.015012 -0.0018308 -0.0531308 0.0838746 -0.0063081 -0.0055983 -0.0054613 0.1409792 0.0862997 0.0199091 0.0027035 0.0279332 0.0946098 -0.0092526 0.0048001 -0.010093 0.1735489 0.105397 -0.0186347 -0.002511 -0.0134461 0.1195632 -0.0028803 -0.0011339 -0.0027152 0.1578379 -0.8428154 -0.2852728 -0.0375426 0.0763925 -0.1270073 -0.005034 0.002719 0.00368 -0.1296361 2.425896 0.0321344 -0.0431678 0.1479977 1.9234345 0.2718279 -0.0296373 0.2660703 0.373223 0.7387857 0.1185254 0.0209097 0.1327277 0.2516345 0.0019294 0.0287237 -0.0006381 0.2409908 -0.4961815 -0.1073666 -0.0090491 -0.1662144 -1.0810223 -0.1614816 -0.0294686 -0.1595787 -0.1285598 -1.0850469 0.3687733 0.0814936 0.4841021 -0.449118 -0.0677535 0.0950633 -0.0667642 -0.1121595 213.6083539|-15.3226727|199.2641273|-2.6866597|14.6860408|80.6797907 -0.000008511 -0.000004594 -0.000016640 0.000003956 -0.000025398 0.000006630 0.000007717 -0.000020609 -0.000016949 0.000003894 0.000008507 -0.000002449 -0.000011802 0.000009385 -0.000010158 -0.000007919 0.000007363 -0.000019200 -0.000014132 -0.000004062 -0.000026774 -0.000002181 0.000018328 0.000009413 -0.000011458 0.000009805 -0.000014911 -0.000020559 0.000001388 -0.000028062 0.000001066 -0.000002548 0.000025254 0.000021878 -0.000005120 0.000012776 -0.000002389 0.000016409 0.000008099 0.000010616 0.000013576 0.000023608 0.000018197 0.000002234 0.000033911 0.000007676 0.000020792 0.000031762 0.000007878 0.000020676 0.000000075 0.000013791 -0.000009781 0.000006736 0.000004763 -0.000043609 -0.000007476 -0.000022484 -0.000012741 -0.000015643 203.82 AuxInfo=1/0/N:6,11,5,8,1,12,4,2,3,17,19,20,16/E:(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3/rA:20nC3C3C3C3C3C3HC3HHC3C3HHHNBHClCl/rB:s1;s2;s3;s4;s1s5;s1;s4;s5;s6;s8;s11;s8;s11;s12;s3s12;s2;s16;s17;s17;/rC:-.4304,1.9193,.197;-.4602,.5404,.0411;.8143,-.1021,-.0372;2.0219,.6333,.0369;1.9659,2.0408,.1928;.7584,2.6695,.2713;-1.368,2.4566,.2636;3.2527,-.0507,-.0439;2.8936,2.5981,.2471;.7015,3.7436,.3916;3.2968,-1.4165,-.1958;2.0949,-2.106,-.265;4.1723,.5214,.0147;4.23,-1.9572,-.2609;2.0328,-3.1795,-.3856;.9385,-1.4578,-.1855;-1.862,-.1487,-.0399;.0777,-1.9993,-.2439;-2.087,-1.8845,-.3242;-3.3359,.7719,.1442;