Gaussian 16 GINC-BELVIS26 ZGHIDA anthracene-H2.q3.m4 EM64L-G16RevB.01 21-Jan-2020 Gaussian 16 20-Dec-2017 EM64L-G16RevB.01 22 22 43 46 250 (6D, 7F) 6-31G(d,p) 60 60 C1[X(C14H8)] C1[X(C14H8)] UB3LYP 6-31G(d,p) FOpt # opt freq b3lyp/6-31g(d,p) geom=connectivity 168.14979999999997 3 4 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22/rA:22nC0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;/rC:1.6752,1.7076,.001;1.0114,.5153,0;-.4207,.4736,-.0071;-1.1211,-.7376,-.008;-2.52,-.7604,-.0129;-3.2529,-1.9917,-.0129;-4.6175,-1.9917,-.0129;-5.34,-.7625,-.0164;-4.6763,.4298,-.0197;-3.244,.4713,-.0184;-2.5436,1.6825,-.0202;-1.1447,1.7053,-.0145;-.4119,2.9366,-.0145;.9527,2.9367,-.0071;2.7746,1.7435,.0072;-2.6836,-2.9334,-.0098;-5.1834,-2.935,-.0105;-6.4394,-.7986,-.0178;-5.2221,1.3854,-.0243;-3.1018,2.6314,-.0244;-.9815,3.8782,-.0208;1.5188,3.8799,-.006; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/zghida/anthracene-H2.1.q3.m4.gjf-147499/Gau-2792.inp" -scrdir="/temporal/zghida/anthracene-H2.1.q3.m4.gjf-147499/" chk=anthracene-H2.q3.m4.chk # opt freq b3lyp/6-31g(d,p) geom=connectivity 1/18=20,19=15,26=3,38=1,57=2/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=1,6=6,7=101,11=2,25=1,30=1,71=1,74=-5/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=1,6=6,7=101,11=2,25=1,30=1,71=1,74=-5/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 anthracene-H2.q3.m4 Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 1 1 1 2 3 3 4 5 5 6 6 7 7 8 8 9 9 10 11 11 12 13 13 14 2 14 15 3 4 12 5 6 10 7 16 8 17 9 18 10 19 11 12 20 13 14 21 22 1.3646 1.4258 1.1 1.4328 1.3991 1.4287 1.3991 1.4328 1.4288 1.3646 1.1005 1.4258 1.1 1.3646 1.1 1.4328 1.1005 1.3991 1.3991 1.101 1.4328 1.3647 1.1005 1.1 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 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 2 2 14 1 2 2 4 3 4 4 6 5 5 7 6 6 8 7 7 9 8 8 10 5 5 9 10 10 12 3 3 11 12 12 14 1 1 13 1 1 1 2 3 3 3 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 14 15 15 3 4 12 12 5 6 10 10 7 16 16 8 17 17 9 18 18 10 19 19 9 11 11 12 20 20 11 13 13 14 21 21 13 22 22 120.4489 120.9732 118.5779 120.7675 121.7035 118.7822 119.5142 120.9763 121.7006 119.5092 118.7901 120.7635 118.0813 121.155 120.4466 120.9594 118.5939 120.4476 118.5627 120.9896 120.765 121.1591 118.0759 118.7868 119.5145 121.6986 120.9759 119.499 119.5251 119.5096 118.7949 121.6954 120.7641 118.0731 121.1628 120.4423 118.5802 120.9774 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 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 14 15 2 2 15 15 1 1 2 12 2 2 4 4 3 3 4 4 10 10 4 4 6 6 5 5 16 16 6 6 17 17 7 7 18 18 8 8 19 19 5 5 9 9 10 10 20 20 3 3 11 11 12 12 21 21 1 1 1 1 1 1 2 2 3 3 3 3 3 3 4 4 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 2 2 14 14 14 14 3 3 4 4 12 12 12 12 5 5 6 6 6 6 10 10 10 10 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 3 3 13 22 13 22 4 12 5 5 11 13 11 13 6 10 7 16 7 16 9 11 9 11 8 17 8 17 9 18 9 18 10 19 10 19 5 11 5 11 12 20 12 20 3 13 3 13 14 21 14 21 1 22 1 22 -0.1018 179.9569 0.078 179.9999 -179.9793 -0.0574 -179.9865 0.065 179.9003 -0.1515 -179.9353 -0.0041 0.115 -179.9538 -179.9531 0.0639 179.7643 -0.0524 -0.2525 179.9308 -179.8326 0.0609 0.1839 -179.9227 0.1607 -179.854 179.9717 -0.0429 0.0013 179.9091 -179.9844 -0.0766 -0.0673 179.8829 -179.9728 -0.0226 -0.0283 -179.9193 -179.98 0.129 -0.0966 179.9991 179.7937 -0.1107 0.0089 -179.9202 179.9133 -0.0159 -0.0189 179.9695 179.9107 -0.1009 -0.0166 -179.9366 179.9954 0.0754 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 250 A 250 A 448 250 735.5573029652 22 1.00e+00 60 F Berny optimization. local minimum Step number 5 out of a maximum of 128 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.01733 0.01745 0.01769 0.01801 0.01817 0.01912 0.01944 0.01971 0.01995 0.01999 0.02100 0.02101 0.02103 0.02108 0.02141 0.02181 0.02224 0.02320 0.02344 0.12598 0.15839 0.16000 0.16000 0.16000 0.16001 0.16023 0.16100 0.21153 0.22017 0.22274 0.22424 0.23143 0.23892 0.24568 0.24967 0.25048 0.31423 0.33582 0.33631 0.33633 0.33655 0.33666 0.33682 0.33686 0.34032 0.36227 0.38658 0.38972 0.39841 0.40269 0.41918 0.42121 0.43179 0.44764 0.45908 0.46776 0.49037 0.49635 0.51492 0.53274 -5.06460919e-07 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 2.68861 2.68087 2.06451 2.60368 2.63720 2.78803 2.64203 2.63707 2.78525 2.73803 2.05910 2.66797 2.06044 2.65536 2.05797 2.71241 2.05933 2.68255 2.68928 2.06011 2.71910 2.65848 2.05954 2.05944 2.04714 2.11453 2.12151 2.19300 2.20912 2.03603 2.03804 2.21222 2.16699 2.02271 2.09349 2.08561 2.11038 2.08720 2.11126 2.07537 2.09655 2.09725 2.09134 2.09459 2.10443 2.08834 2.09042 2.07433 2.09340 2.11546 2.12369 2.08002 2.07947 2.07631 2.07070 2.13618 2.11814 2.08485 2.08020 2.10137 2.08567 2.09615 0.00006 3.14144 -0.00006 3.14152 -3.14143 0.00015 3.14154 -0.00004 3.14154 -0.00007 -3.14158 0.00000 0.00003 -3.14157 -3.14152 0.00007 -3.14158 -0.00009 0.00001 3.14150 3.14153 -0.00003 -0.00006 3.14156 0.00006 -3.14145 -3.14143 0.00024 -0.00008 3.14158 3.14143 -0.00009 0.00002 3.14157 3.14155 -0.00009 0.00004 -3.14158 -3.14150 0.00006 -0.00001 3.14150 -3.14157 -0.00006 0.00001 -3.14158 -3.14150 0.00010 -0.00000 3.14157 3.14158 -0.00003 0.00003 -3.14155 -3.14154 0.00006 -0.00017 -0.00003 0.00001 0.00006 -0.00005 0.00012 0.00013 -0.00001 -0.00006 -0.00007 -0.00001 0.00010 -0.00000 -0.00012 -0.00001 -0.00001 -0.00001 0.00010 -0.00013 0.00000 -0.00006 0.00008 -0.00000 -0.00002 0.00004 -0.00002 -0.00002 0.00002 -0.00002 -0.00002 0.00003 -0.00005 -0.00003 0.00003 -0.00000 0.00002 -0.00001 -0.00001 -0.00002 -0.00000 0.00002 -0.00002 -0.00000 0.00002 0.00003 0.00003 -0.00006 -0.00001 -0.00003 0.00003 0.00004 -0.00001 -0.00003 -0.00003 -0.00004 0.00007 0.00002 -0.00002 0.00000 -0.00002 0.00001 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00006 -0.00013 0.00002 -0.00002 -0.00016 0.00016 -0.00001 -0.00007 -0.00000 0.00007 0.00000 -0.00003 0.00001 -0.00006 0.00001 -0.00000 0.00001 -0.00004 -0.00012 0.00002 -0.00008 -0.00001 0.00001 0.00001 0.00013 -0.00021 0.00008 -0.00008 -0.00002 -0.00000 0.00002 -0.00006 -0.00003 0.00010 -0.00007 0.00005 0.00002 -0.00007 -0.00000 -0.00016 0.00016 -0.00005 0.00011 -0.00006 0.00005 -0.00003 -0.00001 0.00002 -0.00009 0.00007 0.00006 -0.00003 -0.00004 -0.00003 -0.00002 0.00006 0.00002 0.00006 -0.00008 -0.00004 0.00013 -0.00009 0.00003 -0.00001 -0.00002 -0.00002 0.00003 0.00003 -0.00003 -0.00002 0.00001 0.00000 -0.00000 0.00000 0.00001 0.00001 0.00000 -0.00001 0.00003 -0.00000 0.00004 0.00001 -0.00001 -0.00000 -0.00002 -0.00001 -0.00004 -0.00002 -0.00000 0.00001 0.00001 0.00002 -0.00001 0.00000 0.00002 0.00001 0.00000 -0.00001 -0.00001 -0.00002 -0.00000 -0.00001 0.00001 -0.00002 0.00002 -0.00001 -0.00002 -0.00002 0.00001 0.00001 0.00001 0.00000 0.00001 0.00001 0.00000 0.00000 0.00001 0.00000 -0.00035 -0.00001 0.00002 0.00024 -0.00001 0.00023 0.00031 0.00005 -0.00017 -0.00022 -0.00003 0.00027 -0.00001 -0.00023 -0.00004 -0.00004 -0.00002 0.00024 -0.00026 0.00001 -0.00011 0.00017 0.00000 -0.00005 0.00009 0.00002 -0.00011 0.00006 -0.00008 -0.00005 0.00014 -0.00019 -0.00010 0.00009 0.00001 0.00007 -0.00005 -0.00002 -0.00010 0.00006 0.00004 -0.00004 -0.00009 0.00012 0.00011 0.00023 -0.00034 -0.00006 -0.00006 0.00012 0.00014 -0.00002 -0.00012 -0.00012 -0.00011 0.00023 0.00012 -0.00018 0.00006 -0.00010 -0.00001 0.00011 -0.00021 0.00023 0.00015 0.00017 -0.00029 -0.00027 0.00016 0.00013 0.00002 0.00006 -0.00001 -0.00000 -0.00004 -0.00003 -0.00006 -0.00005 -0.00012 0.00006 -0.00013 0.00005 0.00007 0.00003 0.00008 0.00004 0.00010 -0.00002 -0.00008 -0.00020 -0.00001 -0.00008 0.00012 0.00004 -0.00005 0.00005 0.00002 0.00012 0.00001 0.00005 -0.00009 -0.00005 -0.00002 0.00012 -0.00006 0.00008 0.00003 0.00002 -0.00011 -0.00012 -0.00004 -0.00001 -0.00003 0.00000 -0.00004 -0.00006 -0.00007 -0.00009 -0.00040 -0.00014 0.00004 0.00022 -0.00017 0.00039 0.00030 -0.00002 -0.00017 -0.00014 -0.00002 0.00024 -0.00000 -0.00030 -0.00003 -0.00004 -0.00001 0.00019 -0.00038 0.00003 -0.00019 0.00016 0.00001 -0.00005 0.00021 -0.00019 -0.00002 -0.00002 -0.00010 -0.00006 0.00015 -0.00024 -0.00013 0.00019 -0.00006 0.00012 -0.00002 -0.00010 -0.00010 -0.00010 0.00020 -0.00009 0.00002 0.00006 0.00016 0.00020 -0.00036 -0.00003 -0.00015 0.00019 0.00021 -0.00005 -0.00015 -0.00015 -0.00014 0.00029 0.00014 -0.00012 -0.00002 -0.00014 0.00012 0.00001 -0.00018 0.00022 0.00013 0.00015 -0.00026 -0.00024 0.00013 0.00011 0.00004 0.00006 -0.00002 -0.00000 -0.00004 -0.00002 -0.00006 -0.00005 -0.00009 0.00006 -0.00009 0.00005 0.00006 0.00003 0.00006 0.00003 0.00007 -0.00004 -0.00008 -0.00019 -0.00000 -0.00006 0.00011 0.00005 -0.00003 0.00006 0.00003 0.00011 0.00000 0.00003 -0.00009 -0.00005 -0.00001 0.00010 -0.00004 0.00007 0.00002 -0.00000 -0.00010 -0.00011 -0.00003 -0.00000 -0.00001 0.00001 -0.00004 -0.00006 -0.00007 -0.00008 2.68820 2.68073 2.06456 2.60391 2.63704 2.78842 2.64233 2.63705 2.78508 2.73789 2.05908 2.66821 2.06044 2.65506 2.05794 2.71237 2.05932 2.68274 2.68890 2.06014 2.71891 2.65864 2.05955 2.05940 2.04736 2.11434 2.12149 2.19297 2.20902 2.03597 2.03819 2.21198 2.16686 2.02290 2.09343 2.08573 2.11035 2.08711 2.11116 2.07527 2.09675 2.09717 2.09137 2.09465 2.10459 2.08853 2.09006 2.07430 2.09324 2.11565 2.12390 2.07997 2.07932 2.07616 2.07056 2.13646 2.11828 2.08473 2.08018 2.10123 2.08579 2.09616 -0.00011 -3.14153 0.00007 -3.14151 3.14149 -0.00010 -3.14152 0.00007 3.14158 -0.00001 3.14158 0.00000 -0.00001 3.14159 -3.14158 0.00002 3.14151 -0.00003 -0.00008 3.14155 3.14159 -0.00000 0.00000 -3.14159 0.00013 -3.14149 -3.14151 0.00006 -0.00008 3.14152 3.14154 -0.00004 -0.00000 -3.14156 3.14158 0.00002 0.00004 -3.14155 -3.14159 0.00000 -0.00002 -3.14159 3.14157 0.00001 0.00003 -3.14158 3.14159 -0.00001 -0.00003 3.14157 3.14157 -0.00001 -0.00001 3.14158 3.14158 -0.00002 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000167 0.000038 0.000498 0.000124 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.531562e-07 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 1 1 1 2 3 3 4 5 5 6 6 7 7 8 8 9 9 10 11 11 12 13 13 14 2 14 15 3 4 12 5 6 10 7 16 8 17 9 18 10 19 11 12 20 13 14 21 22 1.4227 1.4187 1.0925 1.3778 1.3955 1.4754 1.3981 1.3955 1.4739 1.4489 1.0896 1.4118 1.0903 1.4052 1.089 1.4353 1.0898 1.4195 1.4231 1.0902 1.4389 1.4068 1.0899 1.0898 -DE/DX = -0.0002|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 2 2 14 1 2 2 4 3 4 4 6 5 5 7 6 6 8 7 7 9 8 8 10 5 5 9 10 10 12 3 3 11 12 12 14 1 1 13 1 1 1 2 3 3 3 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 14 15 15 3 4 12 12 5 6 10 10 7 16 16 8 17 17 9 18 18 10 19 19 9 11 11 12 20 20 11 13 13 14 21 21 13 22 22 117.2925 121.1538 121.5537 125.6494 126.573 116.656 116.771 126.7511 124.1593 115.8926 119.9482 119.4965 120.9156 119.5879 120.9664 118.9099 120.1236 120.1637 119.8252 120.0111 120.5748 119.6529 119.7723 118.8504 119.9428 121.2069 121.6787 119.1763 119.1449 118.9639 118.6422 122.394 121.3603 119.4532 119.1865 120.3996 119.5 120.1004 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-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 D48 D49 D50 D51 D52 D53 D54 D55 14 15 2 2 15 15 1 1 2 12 2 2 4 4 3 3 4 4 10 10 4 4 6 6 5 5 16 16 6 6 17 17 7 7 18 18 8 8 19 19 5 5 9 9 10 10 20 20 3 3 11 11 12 12 21 1 1 1 1 1 1 2 2 3 3 3 3 3 3 4 4 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 2 2 14 14 14 14 3 3 4 4 12 12 12 12 5 5 6 6 6 6 10 10 10 10 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 3 3 13 22 13 22 4 12 5 5 11 13 11 13 6 10 7 16 7 16 9 11 9 11 8 17 8 17 9 18 9 18 10 19 10 19 5 11 5 11 12 20 12 20 3 13 3 13 14 21 14 21 1 22 1 0.0037 -180.0088 -0.0034 -180.0042 180.0091 0.0084 -180.0031 -0.002 179.9969 -0.0041 180.0006 0.0002 0.0015 180.0011 -179.9959 0.0041 180.0006 -0.0053 0.0005 179.9947 179.9965 -0.0017 -0.0035 -180.0017 0.0034 -179.9918 -179.9908 0.014 -0.0044 179.9995 179.9907 -0.0054 0.0014 -180.0013 179.9975 -0.0052 0.0025 -179.9993 -179.9948 0.0033 -0.0005 -180.0055 180.0014 -0.0036 0.0006 -179.999 180.0056 0.006 -0.0002 179.9989 179.9994 -0.0015 0.0019 180.0026 180.0028 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22/rA:22nC0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;/rC:1.6752,1.7076,.001;1.0114,.5153,0;-.4207,.4736,-.0071;-1.1211,-.7376,-.008;-2.52,-.7605,-.0129;-3.2529,-1.9917,-.0129;-4.6175,-1.9917,-.0129;-5.34,-.7625,-.0164;-4.6763,.4298,-.0197;-3.244,.4713,-.0184;-2.5436,1.6825,-.0202;-1.1447,1.7053,-.0145;-.4119,2.9366,-.0145;.9527,2.9367,-.0071;2.7746,1.7435,.0072;-2.6836,-2.9334,-.0098;-5.1834,-2.935,-.0105;-6.4394,-.7987,-.0178;-5.2221,1.3854,-.0243;-3.1018,2.6314,-.0244;-.9815,3.8782,-.0208;1.5188,3.8799,-.006; 0.000000 1.364646 0.000000 2.432210 1.432804 0.000000 3.714613 2.473359 1.399130 0.000000 4.867377 3.754853 2.435168 1.399097 0.000000 6.162073 4.946686 3.754872 2.473328 1.432841 0.000000 7.299544 6.162013 4.867338 3.714530 2.432174 1.364623 0.000000 7.437418 6.478764 5.072250 4.219003 2.820023 2.422192 1.425805 0.000000 6.478743 5.688385 4.255772 3.741910 2.462948 2.808827 2.422199 1.364618 0.000000 5.072225 4.255736 2.823311 2.442978 1.428777 2.462990 2.820069 2.432188 1.432841 0.000000 4.218957 3.741848 2.442982 2.807175 2.443039 3.741976 4.219047 3.714519 2.473299 1.399091 0.000000 2.819932 2.462821 1.428733 2.443031 2.823415 4.255879 5.072330 4.867350 3.754855 2.435166 1.399139 0.000000 2.422128 2.808747 2.462976 3.741978 4.255837 5.688491 6.478800 6.161932 4.946558 3.754781 2.473263 1.432797 0.000000 1.425753 2.422193 2.820134 4.219151 5.072383 6.478925 7.437529 7.299521 6.161988 4.867342 3.714540 2.432177 1.364663 0.000000 1.100009 2.148801 3.438446 4.618725 5.856898 7.091047 8.282251 8.492819 7.565830 6.151660 5.318656 3.919540 3.402626 2.177897 0.000000 6.366960 5.054379 4.090050 2.695002 2.179105 1.100457 2.151054 3.430697 3.909224 3.450530 4.618002 4.887353 6.294227 6.905158 7.187887 0.000000 8.282146 7.090866 5.856757 4.618517 3.438325 2.148625 1.099996 2.178109 3.402773 3.919669 5.318737 6.151709 7.565841 8.492856 9.231373 2.499822 0.000000 8.492876 7.565875 6.151723 5.318679 3.919607 3.402539 2.177763 1.099994 2.148935 3.438530 4.618786 5.856986 7.091040 8.282334 9.558332 4.320147 2.478192 0.000000 6.904831 6.294000 4.887164 4.617881 3.450460 3.909220 3.430726 2.151091 1.100455 2.179042 2.694862 4.089920 5.054090 6.366707 8.004745 5.009569 4.320496 2.500380 0.000000 4.865544 4.625740 3.441573 3.908131 3.441443 4.625600 4.865269 4.065544 2.706699 2.164834 1.100955 2.165159 2.707114 4.066000 5.943161 5.580560 5.942904 4.785977 2.459346 0.000000 3.430716 3.909167 3.450463 4.617901 4.887161 6.294043 6.904815 6.366564 5.053996 4.089761 2.694745 2.178994 1.100482 2.151193 4.320388 7.021068 8.004713 7.187653 4.919041 2.459696 0.000000 2.177927 3.402686 3.919746 5.318853 6.151829 7.566021 8.492939 8.282240 7.090980 5.856887 4.618690 3.438455 2.148865 1.100014 2.478182 8.005078 9.558336 9.231601 7.187651 4.786297 2.500310 0.000000 C14H8(3+,4) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22/rA:22nC0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;/rC:3.6661,-.8155,.0036;2.4806,-1.4915,.0017;1.2341,-.7852,-.0005;.0075,-1.4583,-.0022;-1.2009,-.7531,-.0022;-2.4656,-1.4266,-.0029;-3.6328,-.7196,.0019;-3.614,.7061,.0042;-2.4286,1.382,.0017;-1.182,.6755,-.0019;.0445,1.3486,-.0029;1.2529,.6434,-.0021;2.5176,1.317,-.0014;3.6849,.6101,.0012;4.6251,-1.3544,.006;-2.4665,-2.527,-.0043;-4.6055,-1.2333,.0037;-4.5731,1.2447,.0065;-2.4004,2.4821,.0015;.0587,2.4495,-.0027;2.5182,2.4174,-.0031;4.6577,1.1235,.0028; 2.2751014 0.4559634 0.3798389 -10.77468 -10.75634 -10.74956 -10.74441 -10.74317 -10.73382 -10.73041 -10.72792 -10.72163 -10.71895 -10.71827 -10.71826 -10.70581 -10.70266 -1.42048 -1.37898 -1.32851 -1.30869 -1.27281 -1.26016 -1.22108 -1.16013 -1.13514 -1.10373 -1.09454 -1.04404 -1.03048 -1.00233 -0.96488 -0.96249 -0.95508 -0.92840 -0.92568 -0.92338 -0.91067 -0.88884 -0.87757 -0.86712 -0.84471 -0.84287 -0.81945 -0.80953 -0.78360 -0.77228 -0.75222 -0.75147 -0.67197 -0.57177 -0.52692 -0.49992 -0.47153 -0.43754 -0.35244 -0.34455 -0.32987 -0.31055 -0.30118 -0.28222 -0.27877 -0.27346 -0.26294 -0.24468 -0.23197 -0.22602 -0.21440 -0.18087 -0.17712 -0.17667 -0.16719 -0.16289 -0.14181 -0.10849 -0.05237 -0.02865 -0.01193 -0.00303 0.00453 0.00695 0.01370 0.03773 0.04028 0.04341 0.06096 0.06368 0.06517 0.07833 0.07952 0.09768 0.10963 0.12004 0.12017 0.13222 0.14473 0.14751 0.14873 0.14960 0.15312 0.16474 0.17507 0.20391 0.20787 0.21774 0.24441 0.25718 0.27689 0.32765 0.33798 0.35878 0.36017 0.36427 0.37411 0.37568 0.37872 0.42497 0.43193 0.43739 0.44402 0.44849 0.47621 0.48969 0.51796 0.53219 0.55050 0.57326 0.58307 0.60724 0.63595 0.66978 0.67867 0.69054 0.70018 0.70791 0.73728 0.73890 0.77268 0.81259 0.82202 0.82847 0.84629 0.85778 0.86312 0.88571 0.90576 0.90832 0.92670 0.93402 0.94724 0.97615 1.00310 1.03129 1.03910 1.19411 1.19656 1.21417 1.22828 1.24219 1.27743 1.29258 1.31722 1.31737 1.31895 1.35460 1.36612 1.36872 1.37695 1.39488 1.40823 1.42681 1.43418 1.44521 1.45914 1.50799 1.51359 1.52877 1.52989 1.57850 1.58625 1.59664 1.61807 1.65705 1.70825 1.72047 1.73814 1.74459 1.76540 1.78092 1.78226 1.80553 1.82211 1.82308 1.89626 1.90956 1.91434 1.93744 1.94874 1.95492 1.95706 1.98184 1.99981 2.02246 2.03072 2.05607 2.05880 2.07427 2.08924 2.09466 2.11935 2.12343 2.14546 2.16085 2.16334 2.20809 2.23012 2.24733 2.25313 2.26463 2.30277 2.34003 2.41680 2.46304 2.47495 2.54522 2.57646 2.61930 2.66480 2.69414 2.74921 2.75483 2.77895 2.79669 2.85948 2.88178 2.97361 3.06681 3.26306 3.34238 3.53526 3.56862 3.59043 3.60209 3.63103 3.64019 3.66808 3.75482 3.87405 3.87534 3.96185 4.01782 4.23324 4.40299 -10.75698 -10.74568 -10.74398 -10.73950 -10.73677 -10.73371 -10.72935 -10.72381 -10.72173 -10.71983 -10.71855 -10.71404 -10.70441 -10.70337 -1.40865 -1.36819 -1.31799 -1.29642 -1.25848 -1.25279 -1.21079 -1.14861 -1.12702 -1.09334 -1.07727 -1.03542 -1.02226 -0.99402 -0.95741 -0.95641 -0.94872 -0.92283 -0.91817 -0.90945 -0.90523 -0.87236 -0.86221 -0.85708 -0.83839 -0.83701 -0.80332 -0.78931 -0.75129 -0.70236 -0.65837 -0.59966 -0.57720 -0.55434 -0.50638 -0.48351 -0.45312 -0.42018 -0.34350 -0.33496 -0.32801 -0.30669 -0.28101 -0.27962 -0.27122 -0.26419 -0.25864 -0.23845 -0.22436 -0.21727 -0.20906 -0.17464 -0.16856 -0.16786 -0.16012 -0.15141 -0.12813 -0.10208 -0.03753 -0.01078 0.00018 0.00899 0.01062 0.02079 0.02176 0.04555 0.04599 0.05730 0.06828 0.06833 0.07396 0.08434 0.08668 0.11313 0.11701 0.12579 0.12673 0.13408 0.15173 0.15404 0.15500 0.16004 0.17128 0.18069 0.19748 0.21667 0.22510 0.23110 0.25256 0.27750 0.28394 0.32932 0.34613 0.36058 0.36588 0.36966 0.37524 0.37828 0.38177 0.43043 0.43471 0.44185 0.44970 0.45459 0.48655 0.49686 0.52155 0.54256 0.55973 0.57891 0.58789 0.61372 0.64152 0.67550 0.68584 0.70095 0.70787 0.71902 0.74716 0.75417 0.77696 0.81753 0.83270 0.83601 0.85385 0.87154 0.87313 0.90459 0.90918 0.91501 0.94120 0.95428 0.97937 0.98320 1.00879 1.03535 1.04416 1.20664 1.21484 1.22213 1.23818 1.25179 1.29853 1.30148 1.32006 1.32986 1.34390 1.36554 1.37918 1.38655 1.40038 1.40127 1.41747 1.43184 1.44356 1.45774 1.47173 1.51668 1.51782 1.54236 1.54871 1.59659 1.59683 1.60543 1.63251 1.68385 1.71910 1.73219 1.74893 1.75719 1.78182 1.78924 1.80433 1.80981 1.82721 1.83719 1.90133 1.91117 1.91738 1.94453 1.95226 1.95931 1.96250 1.98769 2.00612 2.03453 2.03924 2.06104 2.06634 2.08006 2.09548 2.09573 2.12936 2.13511 2.15234 2.17263 2.17309 2.21425 2.23686 2.25236 2.26243 2.27203 2.31038 2.35014 2.42537 2.47942 2.48731 2.55074 2.58342 2.62813 2.67417 2.69777 2.74975 2.75897 2.78394 2.79838 2.86426 2.88708 2.97429 3.07109 3.27048 3.34438 3.55602 3.58106 3.60072 3.62302 3.63780 3.64376 3.67574 3.76300 3.88107 3.88655 3.97013 4.02473 4.24046 4.41134 4-A. -0.1498 1.2991 0.0084 1.3077 70.6207 -33.6404 -72.7159 1.8019 0.0021 -0.0035 82.5326 -21.7286 -60.8040 1.8019 0.0021 -0.0035 12.0032 21.9394 0.0101 -10.2344 -8.8186 0.4504 -0.3992 0.1712 -0.0228 -0.1209 -410.2762 -447.6474 -69.7338 -5.4440 -0.0167 31.6191 -0.0017 0.0051 -0.0060 -282.3746 -485.1529 -118.8086 -0.0284 0.0098 0.3982 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22/rA:22nC0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;/rC:1.7421,1.757,-.0022;.9927,.5476,-.0015;-.382,.4548,-.0061;-1.1362,-.7194,-.0056;-2.5308,-.8179,-.0101;-3.231,-2.025,-.0093;-4.6798,-2.0093,-.0144;-5.3931,-.7909,-.0202;-4.7013,.4322,-.0211;-3.2662,.4593,-.0161;-2.5538,1.6872,-.017;-1.1312,1.7258,-.0121;-.3936,2.9612,-.0128;1.0132,2.974,-.0079;2.8346,1.7449,.0018;-2.7033,-2.9783,-.005;-5.2173,-2.9579,-.0135;-6.482,-.8007,-.024;-5.2602,1.3677,-.0256;-3.1103,2.6245,-.0215;-.9337,3.9078,-.0173;1.5511,3.9218,-.0086; 0.000000 1.422749 0.000000 2.491499 1.377811 0.000000 3.796975 2.477358 1.395547 0.000000 4.988773 3.778817 2.497418 1.398100 0.000000 6.247842 4.945502 3.777082 2.468403 1.395476 0.000000 7.444878 6.222145 4.954093 3.771129 2.457181 1.448904 0.000000 7.576453 6.524526 5.163582 4.257531 2.862435 2.489509 1.411828 0.000000 6.578219 5.695166 4.319375 3.746562 2.504829 2.863526 2.441592 1.405156 0.000000 5.173728 4.259821 2.884229 2.434489 1.473889 2.484604 2.844709 2.467086 1.435347 0.000000 4.296490 3.725057 2.497078 2.793100 2.505212 3.773443 4.264238 3.768575 2.487317 1.419544 0.000000 2.873511 2.428782 1.475360 2.445206 2.903317 4.298552 5.152019 4.949440 3.797226 2.482364 1.423104 0.000000 2.451838 2.783382 2.506438 3.754798 4.341607 5.737019 6.563355 6.250834 4.995227 3.809381 2.507921 1.438887 0.000000 1.418653 2.426477 2.879730 4.273283 5.190210 6.557677 7.565924 7.430616 6.254268 4.963530 3.791976 2.481209 1.406806 0.000000 1.092494 2.196815 3.465629 4.673263 5.945998 7.141663 8.399992 8.609533 7.649347 6.234757 5.388659 3.965815 3.449691 2.197318 0.000000 6.495012 5.108108 4.144271 2.749311 2.167277 1.089630 2.201290 3.466966 3.952708 3.483464 4.667899 4.959858 6.372843 7.017307 7.278533 0.000000 8.406177 7.131097 5.918342 4.654739 3.434669 2.194451 1.090338 2.174215 3.429215 3.935038 5.354557 6.215562 7.635736 8.602697 9.324633 2.514034 0.000000 8.612735 7.595384 6.227933 5.346537 3.951331 3.473934 2.169940 1.089032 2.165924 3.453896 4.649831 5.917333 7.156934 8.392076 9.658139 4.361296 2.500669 0.000000 7.013155 6.306450 4.962906 4.622142 3.496720 3.953278 3.426524 2.162683 1.089752 2.191158 2.725208 4.144498 5.120859 6.475746 8.103554 5.042429 4.325907 2.489006 0.000000 4.929438 4.598762 3.485937 3.883259 3.490940 4.651125 4.892401 4.108020 2.708772 2.170809 1.090164 2.173667 2.737549 4.138298 6.009645 5.617654 5.966863 4.806340 2.490272 0.000000 3.433109 3.873238 3.496822 4.631683 4.988342 6.362095 7.003262 6.477946 5.125897 4.163262 2.748830 2.190977 1.089859 2.159226 4.344882 7.109914 8.092468 7.277012 5.017055 2.526792 0.000000 2.173224 3.420068 3.969497 5.363043 6.255143 7.631064 8.602454 8.392311 7.160307 5.932562 4.673737 3.466606 2.169007 1.089810 2.527062 8.106289 9.651007 9.318484 7.274436 4.838616 2.484853 0.000000 C14H8(3+,4) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22/rA:22nC0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;/rC:3.7467,-.8159,0;2.4779,-1.4597,0;1.2552,-.8246,0;.0007,-1.4359,-.0001;-1.2421,-.7954,0;-2.4676,-1.4628,0;-3.6972,-.6965,.0001;-3.6735,.7152,0;-2.4469,1.4007,0;-1.2067,.6781,0;.0401,1.3569,0;1.2755,.6506,0;2.5477,1.3229,0;3.7563,.6028,0;4.6737,-1.3939,.0001;-2.5121,-2.5515,-.0001;-4.6494,-1.2277,.0002;-4.609,1.2726,0;-2.4382,2.4904,-.0001;.0516,2.447,-.0001;2.5782,2.4123,0;4.7084,1.133,.0001; 2.2537142 0.4428227 0.3701028 3.8836 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 C C C C C C C C C C C C C C H H H H H H H H 13 13 13 13 13 13 13 13 13 13 13 13 13 13 1 1 1 1 1 1 1 1 0.04242 0.54557 0.01824 0.50813 0.01560 0.00865 0.03071 -0.00670 -0.01087 0.05713 -0.02353 0.07408 -0.00022 0.02895 0.00858 0.00025 -0.00451 0.00050 0.00332 0.00433 0.00178 0.00225 15.89645 204.44123 6.83534 190.41063 5.84633 3.24252 11.50884 -2.50994 -4.07421 21.40849 -8.81754 27.75967 -0.08398 10.84742 12.78208 0.37783 -6.72385 0.74454 4.95377 6.44528 2.65439 3.35908 5.67225 72.94971 2.43902 67.94325 2.08612 1.15701 4.10664 -0.89561 -1.45378 7.63908 -3.14632 9.90534 -0.02997 3.87063 4.56097 0.13482 -2.39924 0.26567 1.76763 2.29984 0.94715 1.19860 5.30249 68.19425 2.28002 63.51415 1.95013 1.08159 3.83893 -0.83723 -1.35901 7.14110 -2.94122 9.25963 -0.02801 3.61831 4.26364 0.12603 -2.24284 0.24835 1.65240 2.14991 0.88541 1.12047 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 -0.120801 -0.576882 0.105416 -0.516742 0.006225 0.050845 -0.152489 0.022898 0.065895 -0.179449 0.091952 -0.202386 -0.017813 -0.053919 0.044264 0.017674 0.018134 -0.004551 0.005825 0.007237 -0.006248 0.007526 -0.119436 0.861330 0.050635 0.953451 -0.009929 -0.008958 -0.168411 0.029159 0.066652 -0.081218 0.087234 -0.034348 -0.005920 0.063254 -0.023945 -0.003792 -0.012990 0.007780 -0.001632 0.000983 0.014424 0.003828 0.240237 -0.284448 -0.156051 -0.436709 0.003704 -0.041887 0.320900 -0.052057 -0.132547 0.260666 -0.179187 0.236734 0.023733 -0.009335 -0.020319 -0.013883 -0.005144 -0.003229 -0.004193 -0.008220 -0.008176 -0.011354 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 0.060000 0.024442 -0.004252 0.007832 -0.064420 -0.002709 -0.001056 -0.006728 -0.016990 -0.013712 -0.009690 0.009749 0.012300 0.020042 -0.012389 0.002871 0.016590 -0.004810 -0.008925 -0.002695 0.005273 0.013857 -0.000953 -0.000463 0.000401 0.000023 -0.000150 -0.000390 0.001966 -0.000197 -0.000713 0.001037 0.000071 -0.000482 -0.000121 -0.000117 0.000154 0.000001 -0.000053 0.000017 -0.000029 0.000008 -0.000005 0.000021 0.000678 -0.001026 -0.000061 0.000351 -0.000034 0.000117 -0.001091 0.000190 0.000073 -0.000166 -0.000043 0.000216 0.000031 -0.000174 -0.000023 0.000029 -0.000092 0.000017 0.000027 -0.000012 -0.000025 0.000003 0.7111 -0.7031 0.0027 0.7031 0.7111 6.0E-4 -0.0024 0.0015 1.0 -0.1801 -0.0601 0.2402 -24.171 -8.067 32.238 -8.625 -2.878 11.503 -8.063 -2.691 10.753 1 C 13 0.9999 -0.017 0.0015 -0.0015 9.0E-4 1.0 0.017 0.9999 -9.0E-4 -0.5773 -0.2844 0.8617 -77.468 -38.17 115.638 -27.642 -13.62 41.263 -25.841 -12.732 38.573 2 C 13 -0.0015 3.0E-4 1.0 0.0769 0.997 -1.0E-4 0.997 -0.0769 0.0015 -0.1561 0.0503 0.1057 -20.941 6.751 14.19 -7.472 2.409 5.063 -6.985 2.252 4.733 3 C 13 1.0 -0.0053 -3.0E-4 3.0E-4 -3.0E-4 1.0 0.0053 1.0 3.0E-4 -0.5168 -0.4367 0.9535 -69.347 -58.602 127.95 -24.745 -20.911 45.656 -23.132 -19.548 42.679 4 C 13 0.6617 0.7498 0.0018 -0.0 -0.0023 1.0 0.7498 -0.6617 -0.0015 -0.0668 0.0037 0.0631 -8.961 0.497 8.464 -3.197 0.177 3.02 -2.989 0.166 2.823 5 C 13 0.0041 -0.0032 1.0 0.0452 0.999 0.003 0.999 -0.0452 -0.0042 -0.0419 -0.0091 0.051 -5.621 -1.218 6.84 -2.006 -0.435 2.441 -1.875 -0.406 2.281 6 C 13 0.0656 0.9978 0.002 0.9978 -0.0656 -0.0043 0.0042 -0.0022 1.0 -0.1685 -0.1524 0.3209 -22.609 -20.454 43.063 -8.067 -7.299 15.366 -7.541 -6.823 14.364 7 C 13 0.0024 -0.0021 1.0 0.8432 0.5376 -9.0E-4 -0.5376 0.8432 0.0031 -0.0521 0.0186 0.0334 -6.986 2.497 4.489 -2.493 0.891 1.602 -2.33 0.833 1.497 8 C 13 0.0036 -1.0E-4 1.0 0.7149 0.6992 -0.0025 -0.6992 0.7149 0.0026 -0.1325 0.0493 0.0833 -17.787 6.613 11.174 -6.347 2.36 3.987 -5.933 2.206 3.727 9 C 13 0.9907 0.1357 -0.0023 -0.1357 0.9907 9.0E-4 0.0024 -6.0E-4 1.0 -0.1813 -0.0793 0.2607 -24.333 -10.647 34.979 -8.682 -3.799 12.481 -8.116 -3.551 11.668 10 C 13 -3.0E-4 2.0E-4 1.0 0.6178 0.7863 0.0 0.7863 -0.6178 3.0E-4 -0.1792 0.0796 0.0996 -24.045 10.684 13.361 -8.58 3.812 4.767 -8.021 3.564 4.457 11 C 13 0.9983 -0.0577 0.0011 0.0577 0.9983 -7.0E-4 -0.0011 8.0E-4 1.0 -0.203 -0.0338 0.2367 -27.234 -4.534 31.768 -9.718 -1.618 11.335 -9.084 -1.512 10.597 12 C 13 0.8471 -0.5314 0.0024 0.5314 0.8471 0.0018 -0.003 -2.0E-4 1.0 -0.0255 0.0018 0.0237 -3.426 0.241 3.185 -1.222 0.086 1.136 -1.143 0.08 1.062 13 C 13 0.9864 -0.1641 0.0018 -0.0014 0.0028 1.0 0.1641 0.9864 -0.0025 -0.0573 -0.0093 0.0666 -7.683 -1.253 8.935 -2.741 -0.447 3.188 -2.563 -0.418 2.981 14 C 13 0.1733 0.9849 -6.0E-4 -0.0022 0.001 1.0 0.9849 -0.1733 0.0023 -0.0261 -0.0203 0.0464 -13.939 -10.841 24.781 -4.974 -3.868 8.842 -4.65 -3.616 8.266 15 H 1 2.0E-4 -0.0029 1.0 -0.1303 0.9915 0.0029 0.9915 0.1303 1.0E-4 -0.0139 -0.0042 0.0181 -7.407 -2.224 9.631 -2.643 -0.794 3.437 -2.471 -0.742 3.213 16 H 1 -0.3974 0.9176 0.0042 0.0042 -0.0027 1.0 0.9176 0.3974 -0.0028 -0.0202 -0.0051 0.0253 -10.764 -2.745 13.509 -3.841 -0.979 4.82 -3.591 -0.916 4.506 17 H 1 0.9456 0.3252 -0.0073 0.0072 0.0016 1.0 -0.3252 0.9456 8.0E-4 -0.0062 -0.0032 0.0094 -3.311 -1.723 5.034 -1.181 -0.615 1.796 -1.104 -0.575 1.679 18 H 1 0.5543 0.8323 -0.002 0.0031 3.0E-4 1.0 0.8323 -0.5543 -0.0025 -0.0076 -0.0042 0.0118 -4.042 -2.237 6.279 -1.442 -0.798 2.241 -1.348 -0.746 2.095 19 H 1 -3.0E-4 0.0012 1.0 0.3482 0.9374 -0.001 0.9374 -0.3482 7.0E-4 -0.0082 -0.0 0.0082 -4.386 -0.009 4.395 -1.565 -0.003 1.568 -1.463 -0.003 1.466 20 H 1 -0.0013 0.0014 1.0 0.9723 -0.2337 0.0016 0.2337 0.9723 -0.0011 -0.0082 -0.0075 0.0157 -4.362 -4.01 8.372 -1.557 -1.431 2.987 -1.455 -1.338 2.793 21 H 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 0.041901293 0.031632075 0.000052389 -0.062458095 -0.020079827 -0.000231603 0.055541303 -0.040374062 0.000270175 -0.010786179 0.019279093 -0.000059710 -0.004355771 -0.055892479 -0.000066795 0.076998539 0.005721145 0.000319489 -0.062528379 -0.002373253 -0.000078419 -0.027206187 -0.030363049 -0.000029917 0.009542086 0.039109805 -0.000246341 -0.013360931 0.008434936 0.000108875 -0.016788521 0.019223021 -0.000052737 0.005903879 0.016988528 -0.000006899 -0.033944617 0.010914137 -0.000270691 0.031051932 0.010607489 0.000262924 -0.003383720 -0.000552672 0.000004999 -0.005036913 0.005175569 -0.000072848 0.004225160 0.004570900 -0.000019707 0.006882460 0.001579115 0.000062533 0.001413360 -0.007265617 0.000061142 0.003801455 -0.005820725 -0.000016479 0.005942758 -0.004717750 0.000062774 -0.003354913 -0.005796379 -0.000053154 0.076998539 0.022189678 3.8660 3.8550 3.8539 16 -536.840663114 3.8534 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 C C C C C C C C C C C C C C H H H H H H H H 13 13 13 13 13 13 13 13 13 13 13 13 13 13 1 1 1 1 1 1 1 1 0.04128 0.47405 0.00602 0.43460 0.00514 0.01677 0.03164 -0.00776 -0.00387 0.06508 -0.02655 0.09492 0.00185 0.02025 0.00502 -0.00073 -0.00472 0.00041 0.00251 0.00499 0.00164 0.00346 15.46992 177.64087 2.25713 162.85728 1.92586 6.28284 11.85587 -2.90758 -1.45164 24.38617 -9.94795 35.56828 0.69498 7.58682 7.47484 -1.08806 -7.03432 0.60395 3.74559 7.43627 2.43817 5.16047 5.52005 63.38668 0.80540 58.11153 0.68719 2.24187 4.23047 -1.03750 -0.51798 8.70159 -3.54968 12.69165 0.24799 2.70717 2.66721 -0.38825 -2.51002 0.21550 1.33652 2.65345 0.87000 1.84139 5.16021 59.25462 0.75290 54.32334 0.64240 2.09573 3.95469 -0.96987 -0.48422 8.13435 -3.31828 11.86430 0.23182 2.53069 2.49334 -0.36294 -2.34640 0.20145 1.24939 2.48047 0.81329 1.72135 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 -0.121334 -0.590037 0.130722 -0.529971 0.045613 0.016588 -0.157216 0.020356 0.031611 -0.183649 0.106948 -0.217587 -0.021253 -0.024857 0.041527 0.012148 0.018521 -0.003074 0.001751 0.009959 -0.006318 0.005137 -0.126811 0.917062 0.042147 0.999071 0.012285 -0.036568 -0.171597 0.026413 0.031662 -0.081488 0.098347 -0.015754 -0.008956 0.078305 -0.022660 0.000883 -0.013191 0.007097 0.003214 -0.001206 0.014284 0.005490 0.248144 -0.327025 -0.172869 -0.469100 -0.057898 0.019980 0.328813 -0.046769 -0.063273 0.265136 -0.205295 0.233340 0.030209 -0.053448 -0.018867 -0.013031 -0.005330 -0.004023 -0.004964 -0.008753 -0.007966 -0.010627 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 0.054825 0.003329 -0.005089 0.008318 -0.056890 -0.000528 -0.001345 -0.004899 -0.017260 -0.013495 -0.011095 0.008620 0.015071 0.019327 -0.014706 0.002147 0.017756 -0.004676 -0.008401 -0.002325 0.007108 0.011222 -0.000041 0.000018 0.000014 0.000004 -0.000011 -0.000013 0.000064 -0.000005 -0.000002 -0.000002 0.000000 -0.000002 0.000003 0.000002 0.000007 -0.000000 -0.000007 0.000001 0.000000 0.000000 0.000000 0.000001 0.000011 -0.000002 0.000005 0.000062 -0.000001 -0.000009 0.000056 -0.000011 -0.000011 0.000001 -0.000014 -0.000007 -0.000005 -0.000003 -0.000003 0.000002 -0.000003 -0.000001 0.000000 0.000001 0.000000 0.000001 PT8442.200S 2020-01-21T17:54:10.000 -10.77157 -10.75404 -10.75174 -10.74684 -10.74245 -10.73074 -10.72925 -10.72787 -10.72618 -10.72565 -10.72332 -10.72320 -10.70458 -10.69947 -1.40727 -1.36785 -1.31479 -1.30287 -1.26260 -1.25735 -1.20846 -1.16316 -1.12679 -1.09661 -1.08753 -1.04718 -1.02423 -0.99416 -0.96556 -0.95874 -0.95102 -0.92797 -0.92383 -0.91519 -0.90825 -0.88800 -0.86893 -0.86669 -0.85110 -0.84224 -0.81296 -0.80234 -0.77236 -0.76360 -0.75019 -0.73927 -0.66228 -0.57938 -0.52884 -0.49924 -0.46717 -0.44129 -0.35992 -0.33785 -0.32601 -0.30878 -0.30413 -0.29034 -0.28047 -0.27416 -0.26383 -0.25093 -0.23938 -0.22639 -0.21521 -0.20499 -0.18520 -0.17775 -0.16763 -0.15636 -0.13359 -0.11537 -0.06699 -0.04168 -0.03771 -0.01086 0.00621 0.00865 0.01231 0.03709 0.04225 0.04435 0.05211 0.06043 0.07079 0.07724 0.08254 0.08738 0.10500 0.12150 0.12356 0.13614 0.13859 0.14240 0.14852 0.14934 0.15397 0.16238 0.16968 0.20862 0.21637 0.22058 0.24517 0.27422 0.27508 0.33582 0.33594 0.35637 0.36733 0.36897 0.37652 0.38485 0.39097 0.42221 0.43146 0.43800 0.44753 0.44984 0.47493 0.48131 0.51844 0.53495 0.53661 0.57146 0.58056 0.59987 0.63208 0.65895 0.66715 0.68969 0.69811 0.71497 0.73096 0.73908 0.75724 0.81292 0.82194 0.82212 0.84847 0.85846 0.86361 0.88567 0.89911 0.90476 0.92673 0.93820 0.96261 0.96672 0.98319 1.01758 1.02462 1.17177 1.18403 1.21151 1.22720 1.26405 1.29104 1.29209 1.29641 1.31148 1.32674 1.34101 1.35039 1.35394 1.36814 1.38970 1.39314 1.42179 1.42792 1.43443 1.44361 1.47659 1.49551 1.50890 1.52406 1.54138 1.56017 1.56274 1.57744 1.65983 1.67714 1.70249 1.71701 1.73852 1.74746 1.76710 1.79840 1.80365 1.82615 1.83457 1.88401 1.92475 1.92490 1.92833 1.95601 1.96112 1.96650 1.97252 1.99316 2.01929 2.03877 2.04488 2.05510 2.06365 2.07463 2.09001 2.09905 2.12551 2.13554 2.14108 2.16132 2.20500 2.21700 2.23616 2.23998 2.25899 2.29889 2.34116 2.38929 2.45986 2.48802 2.53277 2.57349 2.59524 2.66097 2.67175 2.75331 2.77304 2.79107 2.81247 2.86461 2.89140 2.96981 3.03757 3.23934 3.30850 3.53284 3.56665 3.58645 3.60028 3.62146 3.64714 3.66860 3.76144 3.87006 3.87997 3.95859 4.01140 4.21442 4.37461 -10.75419 -10.74571 -10.74510 -10.74172 -10.73495 -10.72855 -10.72846 -10.72655 -10.72610 -10.72514 -10.72386 -10.71899 -10.70395 -10.70014 -1.39485 -1.35656 -1.30445 -1.29126 -1.25441 -1.24355 -1.19738 -1.15099 -1.11893 -1.08800 -1.06799 -1.03819 -1.01572 -0.98574 -0.95852 -0.95248 -0.94391 -0.92428 -0.91775 -0.90134 -0.90004 -0.87318 -0.86144 -0.84851 -0.84486 -0.83737 -0.80089 -0.78056 -0.75039 -0.69302 -0.64720 -0.58897 -0.56737 -0.56145 -0.50584 -0.48573 -0.44820 -0.42610 -0.34268 -0.33693 -0.32362 -0.30373 -0.28470 -0.27985 -0.27389 -0.26848 -0.26019 -0.24443 -0.23445 -0.21755 -0.21001 -0.19760 -0.17760 -0.17178 -0.16154 -0.14485 -0.12030 -0.10781 -0.05625 -0.03055 -0.01852 0.00308 0.01503 0.01582 0.02082 0.04579 0.05080 0.05212 0.06522 0.06845 0.07350 0.08139 0.09052 0.10663 0.11216 0.12686 0.13031 0.13879 0.14201 0.14660 0.15755 0.16429 0.17592 0.18074 0.18955 0.21702 0.22402 0.24805 0.25328 0.28231 0.29121 0.33719 0.34325 0.35829 0.36930 0.37717 0.37767 0.38829 0.39263 0.42881 0.43824 0.44054 0.45100 0.45384 0.48530 0.48737 0.52264 0.54150 0.54844 0.57707 0.58504 0.60728 0.63754 0.66487 0.67430 0.69798 0.70751 0.72676 0.74686 0.74901 0.76127 0.81934 0.82830 0.83113 0.85665 0.86987 0.87530 0.89876 0.90668 0.90936 0.93426 0.96606 0.97225 0.98959 1.00275 1.02121 1.03071 1.18141 1.19455 1.22682 1.23737 1.27604 1.29951 1.30086 1.31251 1.32038 1.34827 1.35357 1.36481 1.37691 1.39431 1.39612 1.40168 1.42966 1.44135 1.44496 1.45946 1.48551 1.50067 1.52374 1.53257 1.55377 1.57029 1.57800 1.59307 1.68391 1.68874 1.71596 1.73054 1.74902 1.75797 1.78733 1.80462 1.80507 1.83680 1.84654 1.89069 1.92724 1.92839 1.93114 1.95764 1.97000 1.97147 1.97825 1.99815 2.03044 2.04601 2.04865 2.06553 2.07176 2.07899 2.09619 2.10480 2.13372 2.14336 2.15035 2.17184 2.21097 2.22342 2.24074 2.24874 2.26617 2.30503 2.35076 2.39740 2.46707 2.50560 2.53771 2.58544 2.60364 2.67095 2.67615 2.75928 2.77367 2.79415 2.81580 2.86865 2.89575 2.97103 3.04081 3.24613 3.31057 3.54583 3.57745 3.60232 3.61753 3.63213 3.65132 3.67667 3.77065 3.88079 3.88739 3.96722 4.01818 4.22188 4.38331 4-A. ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.6892 0.7245 -1.0E-4 0.7245 0.6892 1.0E-4 -1.0E-4 0.0 1.0 -0.179 -0.0692 0.2481 -24.015 -9.283 33.299 -8.569 -3.312 11.882 -8.011 -3.097 11.107 1 C 13 1.0 -0.0022 -1.0E-4 1.0E-4 0.0 1.0 0.0022 1.0 -0.0 -0.59 -0.327 0.9171 -79.178 -43.884 123.062 -28.253 -15.659 43.912 -26.411 -14.638 41.049 2 C 13 -0.0 -0.0 1.0 0.0572 0.9984 0.0 0.9984 -0.0572 0.0 -0.1729 0.0419 0.131 -23.197 5.617 17.581 -8.277 2.004 6.273 -7.738 1.874 5.864 3 C 13 1.0 -0.0054 -1.0E-4 1.0E-4 -0.0 1.0 0.0054 1.0 0.0 -0.53 -0.4691 0.9991 -71.123 -62.949 134.072 -25.378 -22.462 47.84 -23.724 -20.997 44.722 4 C 13 2.0E-4 2.0E-4 1.0 0.5995 0.8003 -3.0E-4 0.8003 -0.5995 -1.0E-4 -0.0579 -0.0303 0.0882 -7.769 -4.07 11.839 -2.772 -1.452 4.225 -2.592 -1.358 3.949 5 C 13 0.0099 1.0 2.0E-4 0.9999 -0.0099 0.0038 -0.0038 -1.0E-4 1.0 -0.0366 0.0166 0.02 -4.908 2.227 2.681 -1.751 0.795 0.957 -1.637 0.743 0.894 6 C 13 0.0923 0.9957 -1.0E-4 0.9957 -0.0923 -1.0E-4 1.0E-4 1.0E-4 1.0 -0.1717 -0.1571 0.3288 -23.043 -21.08 44.124 -8.222 -7.522 15.744 -7.686 -7.032 14.718 7 C 13 1.0E-4 2.0E-4 1.0 0.8735 0.4869 -2.0E-4 -0.4869 0.8735 -1.0E-4 -0.0468 0.0176 0.0291 -6.276 2.365 3.911 -2.239 0.844 1.395 -2.093 0.789 1.305 8 C 13 0.0 1.0E-4 1.0 0.7076 0.7066 -1.0E-4 -0.7066 0.7076 -1.0E-4 -0.0633 0.0144 0.0489 -8.491 1.929 6.561 -3.03 0.688 2.341 -2.832 0.643 2.189 9 C 13 0.9917 0.1288 0.0 -0.1288 0.9917 -0.0 -0.0 0.0 1.0 -0.1854 -0.0797 0.2651 -24.879 -10.7 35.579 -8.877 -3.818 12.695 -8.299 -3.569 11.868 10 C 13 0.0 0.0 1.0 0.5651 0.8251 -0.0 0.8251 -0.5651 0.0 -0.2053 0.0907 0.1145 -27.549 12.178 15.371 -9.83 4.345 5.485 -9.189 4.062 5.127 11 C 13 0.9991 -0.0426 0.0 0.0426 0.9991 0.0 -0.0 -0.0 1.0 -0.218 -0.0154 0.2333 -29.247 -2.065 31.312 -10.436 -0.737 11.173 -9.756 -0.689 10.445 12 C 13 0.83 -0.5578 -1.0E-4 0.5578 0.83 1.0E-4 0.0 -1.0E-4 1.0 -0.0314 0.0012 0.0302 -4.211 0.157 4.054 -1.503 0.056 1.447 -1.405 0.052 1.352 13 C 13 -1.0E-4 0.0 1.0 0.984 -0.1783 1.0E-4 0.1783 0.984 -0.0 -0.0534 -0.0284 0.0818 -7.172 -3.805 10.978 -2.559 -1.358 3.917 -2.392 -1.269 3.662 14 C 13 0.2132 0.977 1.0E-4 -1.0E-4 -1.0E-4 1.0 0.977 -0.2132 1.0E-4 -0.0259 -0.0189 0.0447 -13.802 -10.066 23.869 -4.925 -3.592 8.517 -4.604 -3.358 7.962 15 H 1 0.0 -2.0E-4 1.0 -0.1811 0.9835 2.0E-4 0.9835 0.1811 0.0 -0.013 5.0E-4 0.0125 -6.953 0.26 6.693 -2.481 0.093 2.388 -2.319 0.087 2.232 16 H 1 -0.4086 0.9127 -0.0 2.0E-4 1.0E-4 1.0 0.9127 0.4086 -2.0E-4 -0.0211 -0.0053 0.0265 -11.279 -2.844 14.123 -4.025 -1.015 5.04 -3.762 -0.949 4.711 17 H 1 0.9317 0.3633 -6.0E-4 5.0E-4 3.0E-4 1.0 -0.3633 0.9317 -1.0E-4 -0.0049 -0.004 0.0089 -2.613 -2.146 4.759 -0.932 -0.766 1.698 -0.872 -0.716 1.588 18 H 1 0.7371 0.6757 -1.0E-4 1.0E-4 1.0E-4 1.0 -0.6757 0.7371 0.0 -0.006 -0.005 0.0109 -3.175 -2.649 5.824 -1.133 -0.945 2.078 -1.059 -0.884 1.943 19 H 1 -0.0 -1.0E-4 1.0 0.1961 0.9806 1.0E-4 0.9806 -0.1961 -0.0 -0.0088 -0.0017 0.0104 -4.67 -0.892 5.562 -1.666 -0.318 1.985 -1.558 -0.297 1.855 20 H 1 0.9547 -0.2974 -2.0E-4 2.0E-4 -1.0E-4 1.0 0.2974 0.9547 0.0 -0.0085 -0.008 0.0165 -4.552 -4.25 8.803 -1.624 -1.517 3.141 -1.519 -1.418 2.936 21 H 1 -0.1938 1.3343 0.0001 1.3483 74.1994 -33.1663 -73.0803 2.2716 0.0002 -0.0004 84.8818 -22.4839 -62.3979 2.2716 0.0002 -0.0004 15.6619 22.2222 0.0001 -11.9288 -9.6877 0.0093 -0.3317 0.0519 -0.0010 0.0014 -391.7340 -450.1749 -70.4202 -7.3442 0.0017 34.8580 -0.0026 0.0000 -0.0003 -279.7591 -501.2674 -119.6174 -0.0085 0.0038 0.6454 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 4-A -536.8406631 3.853437 0. 3.752855 6.627E-9 8.521E-5 40.0520292,6.3384964,-46.3905255,36.2170056,0.2045286,-0.0157697 C01 [X(C14H8)] -0.337933 0.4088977 -0.0022305 -0.000157234 -0.000123728 0.000018439 0.000164882 0.000143058 -0.000006126 -0.000072135 -0.000142660 -0.000001563 0.000188786 -0.000011599 0.000005764 -0.000147274 0.000081667 0.000001041 -0.000058878 0.000020946 -0.000011427 0.000098252 -0.000106862 0.000009836 -0.000005036 0.000213986 0.000003265 -0.000074341 -0.000175621 -0.000005587 -0.000086717 -0.000075520 -0.000000239 0.000213391 -0.000002239 -0.000006709 -0.000197702 0.000246135 0.000000229 -0.000058262 -0.000093997 -0.000003709 0.000139077 0.000031210 -0.000002368 0.000008652 -0.000003436 -0.000007575 -0.000006902 0.000009309 0.000004323 0.000012116 -0.000001725 -0.000004287 0.000014192 -0.000007184 -0.000001898 0.000038070 0.000014266 0.000003514 0.000004881 0.000007044 0.000004137 -0.000008235 -0.000006226 0.000002010 -0.000009582 -0.000016823 -0.000001071 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22/rA:22nC0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;/rC:1.7421,1.757,-.0022;.9927,.5476,-.0015;-.382,.4548,-.0061;-1.1362,-.7194,-.0056;-2.5308,-.8179,-.0101;-3.231,-2.025,-.0093;-4.6798,-2.0093,-.0144;-5.3931,-.7909,-.0202;-4.7013,.4322,-.0211;-3.2662,.4593,-.0161;-2.5538,1.6872,-.017;-1.1312,1.7258,-.0121;-.3936,2.9612,-.0128;1.0132,2.974,-.0079;2.8346,1.7449,.0018;-2.7033,-2.9783,-.005;-5.2173,-2.9579,-.0135;-6.482,-.8007,-.024;-5.2602,1.3677,-.0257;-3.1103,2.6245,-.0215;-.9337,3.9078,-.0173;1.5511,3.9218,-.0086; Gaussian 16 GINC-BELVIS26 ZGHIDA anthracene-H2.q3.m4 EM64L-G16RevB.01 60 C1[X(C14H8)] UB3LYP 6-31G(d,p) Freq #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk UB3LYP/6-31G(d,p)Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22/rA:22nC0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;/rC:1.7421,1.757,-.0022;.9927,.5476,-.0015;-.382,.4548,-.0061;-1.1362,-.7194,-.0056;-2.5308,-.8179,-.0101;-3.231,-2.025,-.0093;-4.6798,-2.0093,-.0144;-5.3931,-.7909,-.0202;-4.7013,.4322,-.0211;-3.2662,.4593,-.0161;-2.5538,1.6872,-.017;-1.1312,1.7258,-.0121;-.3936,2.9612,-.0128;1.0132,2.974,-.0079;2.8346,1.7449,.0018;-2.7033,-2.9783,-.005;-5.2173,-2.9579,-.0135;-6.482,-.8007,-.024;-5.2602,1.3677,-.0256;-3.1103,2.6245,-.0215;-.9337,3.9078,-.0173;1.5511,3.9218,-.0086; anthracene-H2.q3.m4 Redundant internal coordinates found in file. (old form). Charge = 3 Multiplicity = 4 Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 1 1 1 2 3 3 4 5 5 6 6 7 7 8 8 9 9 10 11 11 12 13 13 14 2 14 15 3 4 12 5 6 10 7 16 8 17 9 18 10 19 11 12 20 13 14 21 22 1.4227 1.4187 1.0925 1.3778 1.3955 1.4754 1.3981 1.3955 1.4739 1.4489 1.0896 1.4118 1.0903 1.4052 1.089 1.4353 1.0898 1.4195 1.4231 1.0902 1.4389 1.4068 1.0899 1.0898 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 2 2 14 1 2 2 4 3 4 4 6 5 5 7 6 6 8 7 7 9 8 8 10 5 5 9 10 10 12 3 3 11 12 12 14 1 1 13 1 1 1 2 3 3 3 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 14 15 15 3 4 12 12 5 6 10 10 7 16 16 8 17 17 9 18 18 10 19 19 9 11 11 12 20 20 11 13 13 14 21 21 13 22 22 117.2925 121.1538 121.5537 125.6494 126.573 116.656 116.771 126.7511 124.1593 115.8926 119.9482 119.4965 120.9156 119.5879 120.9664 118.9099 120.1236 120.1637 119.8252 120.0111 120.5748 119.6529 119.7723 118.8504 119.9428 121.2069 121.6787 119.1763 119.1449 118.9639 118.6422 122.394 121.3603 119.4532 119.1865 120.3996 119.5 120.1004 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 D49 D50 D51 D52 D53 D54 D55 D56 14 15 2 2 15 15 1 1 2 12 2 2 4 4 3 3 4 4 10 10 4 4 6 6 5 5 16 16 6 6 17 17 7 7 18 18 8 8 19 19 5 5 9 9 10 10 20 20 3 3 11 11 12 12 21 21 1 1 1 1 1 1 2 2 3 3 3 3 3 3 4 4 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 2 2 14 14 14 14 3 3 4 4 12 12 12 12 5 5 6 6 6 6 10 10 10 10 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 3 3 13 22 13 22 4 12 5 5 11 13 11 13 6 10 7 16 7 16 9 11 9 11 8 17 8 17 9 18 9 18 10 19 10 19 5 11 5 11 12 20 12 20 3 13 3 13 14 21 14 21 1 22 1 22 0.0037 179.9912 -0.0034 179.9958 -179.9909 0.0084 179.9969 -0.002 179.9969 -0.0041 -179.9994 0.0002 0.0015 -179.9989 -179.9959 0.0041 -179.9994 -0.0053 0.0005 179.9947 179.9965 -0.0017 -0.0035 179.9983 0.0034 -179.9918 -179.9908 0.014 -0.0044 179.9995 179.9907 -0.0054 0.0014 179.9987 179.9975 -0.0052 0.0025 -179.9993 -179.9948 0.0033 -0.0005 179.9945 -179.9986 -0.0036 0.0006 -179.999 -179.9944 0.006 -0.0002 179.9989 179.9994 -0.0015 0.0019 -179.9974 -179.9972 0.0036 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00648 0.00792 0.00982 0.01028 0.01140 0.01273 0.01578 0.01748 0.02001 0.02050 0.02192 0.02396 0.02539 0.02572 0.02660 0.02682 0.02718 0.02945 0.03395 0.09996 0.11322 0.11681 0.11910 0.12082 0.12253 0.12616 0.12843 0.14221 0.15213 0.16820 0.17558 0.18160 0.18195 0.18869 0.19101 0.19831 0.22009 0.22595 0.25646 0.29335 0.30069 0.30772 0.31302 0.34643 0.35254 0.35447 0.35613 0.35700 0.35721 0.35741 0.35810 0.35861 0.35951 0.36654 0.38264 0.41591 0.42246 0.42622 0.48060 0.49030 Angle between quadratic step and forces= 24.23 degrees. 1 2 0.00017759 0.00000004 0.00000002 0.00000001 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 2.68861 2.68087 2.06451 2.60368 2.63720 2.78803 2.64203 2.63707 2.78525 2.73803 2.05910 2.66797 2.06044 2.65536 2.05797 2.71241 2.05933 2.68255 2.68928 2.06011 2.71910 2.65848 2.05954 2.05944 2.04714 2.11453 2.12151 2.19300 2.20912 2.03603 2.03804 2.21222 2.16699 2.02271 2.09349 2.08561 2.11038 2.08720 2.11126 2.07537 2.09655 2.09725 2.09134 2.09459 2.10443 2.08834 2.09042 2.07433 2.09340 2.11546 2.12369 2.08002 2.07947 2.07631 2.07070 2.13618 2.11814 2.08485 2.08020 2.10137 2.08567 2.09615 0.00006 3.14144 -0.00006 3.14152 -3.14143 0.00015 3.14154 -0.00004 3.14154 -0.00007 -3.14158 0.00000 0.00003 -3.14157 -3.14152 0.00007 -3.14158 -0.00009 0.00001 3.14150 3.14153 -0.00003 -0.00006 3.14156 0.00006 -3.14145 -3.14143 0.00024 -0.00008 3.14158 3.14143 -0.00009 0.00002 3.14157 3.14155 -0.00009 0.00004 -3.14158 -3.14150 0.00006 -0.00001 3.14150 -3.14157 -0.00006 0.00001 -3.14158 -3.14150 0.00010 -0.00000 3.14157 3.14158 -0.00003 0.00003 -3.14155 -3.14154 0.00006 -0.00017 -0.00003 0.00001 0.00006 -0.00005 0.00012 0.00013 -0.00001 -0.00006 -0.00007 -0.00001 0.00010 -0.00000 -0.00012 -0.00001 -0.00001 -0.00001 0.00010 -0.00013 0.00000 -0.00006 0.00008 -0.00000 -0.00002 0.00004 -0.00002 -0.00002 0.00002 -0.00002 -0.00002 0.00003 -0.00005 -0.00003 0.00003 -0.00000 0.00002 -0.00001 -0.00001 -0.00002 -0.00000 0.00002 -0.00002 -0.00000 0.00002 0.00003 0.00003 -0.00006 -0.00001 -0.00003 0.00003 0.00004 -0.00001 -0.00003 -0.00003 -0.00004 0.00007 0.00002 -0.00002 0.00000 -0.00002 0.00001 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00066 -0.00002 0.00004 0.00010 -0.00030 0.00083 0.00047 -0.00013 -0.00009 -0.00027 -0.00004 0.00054 -0.00001 -0.00043 -0.00003 -0.00015 -0.00003 0.00044 -0.00061 0.00003 -0.00038 0.00032 0.00001 -0.00005 0.00019 -0.00002 -0.00017 0.00010 -0.00007 -0.00010 0.00017 -0.00024 -0.00019 0.00018 0.00001 0.00003 -0.00001 -0.00003 -0.00008 0.00004 0.00004 -0.00007 -0.00013 0.00020 0.00008 0.00031 -0.00039 0.00002 -0.00017 0.00015 0.00025 -0.00018 -0.00007 -0.00019 -0.00020 0.00039 0.00015 -0.00010 -0.00005 -0.00013 0.00013 -0.00000 -0.00006 0.00015 0.00006 0.00007 -0.00016 -0.00015 0.00005 0.00004 0.00005 0.00007 -0.00001 -0.00000 -0.00003 -0.00002 -0.00007 -0.00007 -0.00001 0.00009 -0.00001 0.00009 0.00006 0.00003 0.00006 0.00003 -0.00006 -0.00014 -0.00016 -0.00024 0.00008 0.00001 0.00016 0.00009 -0.00002 0.00002 0.00004 0.00009 -0.00004 -0.00001 -0.00009 -0.00006 0.00001 0.00010 -0.00002 0.00006 -0.00001 -0.00002 -0.00010 -0.00010 0.00000 0.00002 0.00001 0.00003 -0.00003 -0.00005 -0.00005 -0.00006 -0.00066 -0.00002 0.00004 0.00010 -0.00030 0.00083 0.00047 -0.00013 -0.00009 -0.00027 -0.00004 0.00054 -0.00001 -0.00043 -0.00003 -0.00015 -0.00003 0.00044 -0.00061 0.00003 -0.00038 0.00032 0.00001 -0.00005 0.00019 -0.00002 -0.00017 0.00010 -0.00007 -0.00010 0.00017 -0.00024 -0.00019 0.00018 0.00001 0.00003 -0.00001 -0.00003 -0.00008 0.00004 0.00004 -0.00007 -0.00013 0.00020 0.00008 0.00031 -0.00039 0.00002 -0.00017 0.00015 0.00025 -0.00018 -0.00007 -0.00019 -0.00020 0.00039 0.00015 -0.00010 -0.00005 -0.00013 0.00013 -0.00000 -0.00006 0.00015 0.00006 0.00007 -0.00016 -0.00015 0.00005 0.00004 0.00005 0.00007 -0.00001 -0.00000 -0.00003 -0.00002 -0.00007 -0.00007 -0.00001 0.00009 -0.00001 0.00009 0.00006 0.00003 0.00006 0.00003 -0.00006 -0.00014 -0.00016 -0.00024 0.00008 0.00001 0.00016 0.00009 -0.00002 0.00002 0.00004 0.00009 -0.00004 -0.00001 -0.00009 -0.00006 0.00001 0.00010 -0.00002 0.00006 -0.00001 -0.00002 -0.00010 -0.00010 0.00000 0.00002 0.00001 0.00003 -0.00003 -0.00005 -0.00005 -0.00006 2.68794 2.68084 2.06455 2.60378 2.63690 2.78885 2.64250 2.63694 2.78515 2.73777 2.05906 2.66851 2.06043 2.65493 2.05794 2.71226 2.05930 2.68299 2.68866 2.06014 2.71872 2.65880 2.05954 2.05939 2.04733 2.11451 2.12135 2.19310 2.20904 2.03593 2.03821 2.21198 2.16680 2.02288 2.09350 2.08564 2.11037 2.08718 2.11118 2.07541 2.09659 2.09719 2.09121 2.09479 2.10451 2.08864 2.09003 2.07435 2.09323 2.11561 2.12394 2.07984 2.07940 2.07612 2.07049 2.13657 2.11828 2.08476 2.08015 2.10124 2.08580 2.09615 0.00000 -3.14159 -0.00000 3.14159 3.14159 -0.00000 3.14159 0.00000 -3.14159 -0.00000 3.14159 -0.00000 0.00000 -3.14159 -3.14159 0.00000 3.14159 0.00000 0.00000 -3.14159 -3.14159 -0.00000 -0.00000 3.14159 0.00000 -3.14159 3.14159 0.00000 -0.00000 3.14159 3.14159 -0.00000 0.00000 -3.14159 -3.14159 0.00000 -0.00000 3.14159 -3.14159 0.00000 0.00000 -3.14159 3.14159 0.00000 -0.00000 3.14159 3.14159 -0.00000 -0.00000 3.14159 3.14159 -0.00000 0.00000 -3.14159 -3.14159 0.00000 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000167 0.000038 0.000677 0.000178 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.835163e-07 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 1 1 1 2 3 3 4 5 5 6 6 7 7 8 8 9 9 10 11 11 12 13 13 14 2 14 15 3 4 12 5 6 10 7 16 8 17 9 18 10 19 11 12 20 13 14 21 22 1.4227 1.4187 1.0925 1.3778 1.3955 1.4754 1.3981 1.3955 1.4739 1.4489 1.0896 1.4118 1.0903 1.4052 1.089 1.4353 1.0898 1.4195 1.4231 1.0902 1.4389 1.4068 1.0899 1.0898 -DE/DX = -0.0002|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 2 2 14 1 2 2 4 3 4 4 6 5 5 7 6 6 8 7 7 9 8 8 10 5 5 9 10 10 12 3 3 11 12 12 14 1 1 13 1 1 1 2 3 3 3 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 14 15 15 3 4 12 12 5 6 10 10 7 16 16 8 17 17 9 18 18 10 19 19 9 11 11 12 20 20 11 13 13 14 21 21 13 22 22 117.2925 121.1538 121.5537 125.6494 126.573 116.656 116.771 126.7511 124.1593 115.8926 119.9482 119.4965 120.9156 119.5879 120.9664 118.9099 120.1236 120.1637 119.8252 120.0111 120.5748 119.6529 119.7723 118.8504 119.9428 121.2069 121.6787 119.1763 119.1449 118.9639 118.6422 122.394 121.3603 119.4532 119.1865 120.3996 119.5 120.1004 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-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 D48 D49 D50 D51 D52 D53 D54 D55 14 15 2 2 15 15 1 1 2 12 2 2 4 4 3 3 4 4 10 10 4 4 6 6 5 5 16 16 6 6 17 17 7 7 18 18 8 8 19 19 5 5 9 9 10 10 20 20 3 3 11 11 12 12 21 1 1 1 1 1 1 2 2 3 3 3 3 3 3 4 4 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 2 2 14 14 14 14 3 3 4 4 12 12 12 12 5 5 6 6 6 6 10 10 10 10 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 3 3 13 22 13 22 4 12 5 5 11 13 11 13 6 10 7 16 7 16 9 11 9 11 8 17 8 17 9 18 9 18 10 19 10 19 5 11 5 11 12 20 12 20 3 13 3 13 14 21 14 21 1 22 1 0.0037 -180.0088 -0.0034 179.9958 180.0091 0.0084 179.9969 -0.002 -180.0031 -0.0041 180.0006 0.0002 0.0015 -179.9989 -179.9959 0.0041 180.0006 -0.0053 0.0005 -180.0053 -180.0035 -0.0017 -0.0035 179.9983 0.0034 -179.9918 180.0092 0.014 -0.0044 179.9995 179.9907 -0.0054 0.0014 -180.0013 -180.0025 -0.0052 0.0025 180.0007 -179.9948 0.0033 -0.0005 -180.0055 180.0014 -0.0036 0.0006 180.001 180.0056 0.006 -0.0002 179.9989 179.9994 -0.0015 0.0019 -179.9974 -179.9972 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 6-31G(d,p) (6D, 7F) 250 A 250 A 250 448 250 46 43 727.6480490267 22 22 22 1.00e+00 60 F 0.000000 1.422749 0.000000 2.491499 1.377811 0.000000 3.796975 2.477358 1.395547 0.000000 4.988773 3.778817 2.497418 1.398100 0.000000 6.247842 4.945502 3.777082 2.468403 1.395476 0.000000 7.444878 6.222145 4.954093 3.771129 2.457181 1.448904 0.000000 7.576453 6.524526 5.163582 4.257531 2.862435 2.489509 1.411828 0.000000 6.578219 5.695166 4.319375 3.746562 2.504829 2.863526 2.441592 1.405156 0.000000 5.173728 4.259821 2.884229 2.434489 1.473889 2.484604 2.844709 2.467086 1.435347 0.000000 4.296490 3.725057 2.497078 2.793100 2.505212 3.773443 4.264238 3.768575 2.487317 1.419544 0.000000 2.873511 2.428782 1.475360 2.445206 2.903317 4.298552 5.152019 4.949440 3.797226 2.482364 1.423104 0.000000 2.451838 2.783382 2.506438 3.754798 4.341607 5.737019 6.563355 6.250834 4.995227 3.809381 2.507921 1.438887 0.000000 1.418653 2.426477 2.879730 4.273283 5.190210 6.557677 7.565924 7.430616 6.254268 4.963530 3.791976 2.481209 1.406806 0.000000 1.092494 2.196815 3.465629 4.673263 5.945998 7.141663 8.399992 8.609533 7.649347 6.234757 5.388659 3.965815 3.449691 2.197318 0.000000 6.495012 5.108108 4.144271 2.749311 2.167277 1.089630 2.201290 3.466966 3.952708 3.483464 4.667899 4.959858 6.372843 7.017307 7.278533 0.000000 8.406177 7.131097 5.918342 4.654739 3.434669 2.194451 1.090338 2.174215 3.429215 3.935038 5.354557 6.215562 7.635736 8.602697 9.324633 2.514034 0.000000 8.612735 7.595384 6.227933 5.346537 3.951331 3.473934 2.169940 1.089032 2.165924 3.453896 4.649831 5.917333 7.156934 8.392076 9.658139 4.361296 2.500669 0.000000 7.013155 6.306450 4.962906 4.622142 3.496720 3.953278 3.426524 2.162683 1.089752 2.191158 2.725208 4.144498 5.120859 6.475746 8.103554 5.042429 4.325907 2.489006 0.000000 4.929438 4.598762 3.485937 3.883259 3.490940 4.651125 4.892401 4.108020 2.708772 2.170809 1.090164 2.173667 2.737549 4.138298 6.009645 5.617654 5.966863 4.806340 2.490272 0.000000 3.433109 3.873238 3.496822 4.631683 4.988342 6.362095 7.003262 6.477946 5.125897 4.163262 2.748830 2.190977 1.089859 2.159226 4.344882 7.109914 8.092468 7.277012 5.017055 2.526792 0.000000 2.173224 3.420068 3.969497 5.363043 6.255143 7.631064 8.602454 8.392311 7.160307 5.932562 4.673737 3.466606 2.169007 1.089810 2.527062 8.106289 9.651007 9.318484 7.274436 4.838616 2.484853 0.000000 C14H8(3+,4) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22/rA:22nC0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;/rC:3.7467,-.8159,0;2.4779,-1.4597,0;1.2552,-.8246,0;.0007,-1.4359,-.0001;-1.2421,-.7954,0;-2.4676,-1.4628,0;-3.6972,-.6965,.0001;-3.6735,.7152,0;-2.4469,1.4007,0;-1.2067,.6781,0;.0401,1.3569,0;1.2755,.6506,0;2.5477,1.3229,0;3.7563,.6028,0;4.6737,-1.3939,.0001;-2.5121,-2.5515,-.0001;-4.6494,-1.2277,.0002;-4.609,1.2726,0;-2.4382,2.4904,-.0001;.0516,2.447,-.0001;2.5782,2.4123,0;4.7084,1.133,.0001; 2.2537142 0.4428227 0.3701028 1 -536.840663114 3.8534 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=1111111111111111111111 Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Keep R1 and R2 ints in memory in canonical form, NReq=993063645. There are 69 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 66 vectors produced by pass 0 Test12= 2.65D-14 1.45D-09 XBig12= 4.10D+03 4.14D+01. AX will form 66 AO Fock derivatives at one time. 66 vectors produced by pass 1 Test12= 2.65D-14 1.45D-09 XBig12= 6.00D+02 4.65D+00. 66 vectors produced by pass 2 Test12= 2.65D-14 1.45D-09 XBig12= 3.15D+01 1.38D+00. 66 vectors produced by pass 3 Test12= 2.65D-14 1.45D-09 XBig12= 4.05D-01 1.39D-01. 66 vectors produced by pass 4 Test12= 2.65D-14 1.45D-09 XBig12= 1.99D-03 6.46D-03. 66 vectors produced by pass 5 Test12= 2.65D-14 1.45D-09 XBig12= 1.09D-05 3.59D-04. 59 vectors produced by pass 6 Test12= 2.65D-14 1.45D-09 XBig12= 4.33D-08 2.06D-05. 27 vectors produced by pass 7 Test12= 2.65D-14 1.45D-09 XBig12= 1.11D-10 9.12D-07. 3 vectors produced by pass 8 Test12= 2.65D-14 1.45D-09 XBig12= 3.54D-13 5.04D-08. 1 vectors produced by pass 9 Test12= 2.65D-14 1.45D-09 XBig12= 1.04D-15 2.96D-09. InvSVY: IOpt=1 It= 1 EMax= 5.68D-14 Solved reduced A of dimension 486 with 69 vectors. Isotropic polarizability for W= 0.000000 177.58 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 355.102 0.707 135.003 -0.000 -0.000 42.632 910.405 1.282 285.035 -0.002 0.001 69.113 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 C C C C C C C C C C C C C C H H H H H H H H 13 13 13 13 13 13 13 13 13 13 13 13 13 13 1 1 1 1 1 1 1 1 0.04128 0.47405 0.00602 0.43460 0.00514 0.01677 0.03164 -0.00776 -0.00387 0.06508 -0.02655 0.09492 0.00185 0.02025 0.00502 -0.00073 -0.00472 0.00041 0.00251 0.00499 0.00164 0.00346 15.46988 177.64091 2.25711 162.85729 1.92588 6.28278 11.85587 -2.90759 -1.45165 24.38619 -9.94795 35.56825 0.69500 7.58684 7.47485 -1.08802 -7.03432 0.60395 3.74558 7.43626 2.43817 5.16046 5.52004 63.38669 0.80539 58.11153 0.68720 2.24185 4.23047 -1.03750 -0.51799 8.70160 -3.54968 12.69164 0.24799 2.70717 2.66721 -0.38823 -2.51002 0.21551 1.33652 2.65344 0.87000 1.84138 5.16020 59.25463 0.75289 54.32335 0.64240 2.09571 3.95469 -0.96987 -0.48422 8.13436 -3.31828 11.86429 0.23183 2.53070 2.49334 -0.36292 -2.34640 0.20146 1.24939 2.48047 0.81328 1.72134 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 -0.121333 -0.590037 0.130722 -0.529971 0.045613 0.016589 -0.157216 0.020356 0.031611 -0.183649 0.106948 -0.217587 -0.021253 -0.024857 0.041527 0.012148 0.018521 -0.003074 0.001751 0.009959 -0.006318 0.005137 -0.126811 0.917062 0.042148 0.999071 0.012285 -0.036567 -0.171597 0.026414 0.031662 -0.081488 0.098347 -0.015754 -0.008957 0.078305 -0.022660 0.000883 -0.013191 0.007097 0.003214 -0.001206 0.014284 0.005490 0.248144 -0.327025 -0.172870 -0.469100 -0.057898 0.019979 0.328813 -0.046769 -0.063273 0.265136 -0.205295 0.233340 0.030210 -0.053448 -0.018867 -0.013031 -0.005330 -0.004023 -0.004964 -0.008753 -0.007966 -0.010627 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 0.054825 0.003329 -0.005089 0.008318 -0.056890 -0.000528 -0.001345 -0.004899 -0.017260 -0.013495 -0.011095 0.008620 0.015071 0.019327 -0.014706 0.002147 0.017756 -0.004676 -0.008401 -0.002325 0.007108 0.011222 -0.000041 0.000018 0.000014 0.000004 -0.000011 -0.000013 0.000064 -0.000005 -0.000002 -0.000002 0.000000 -0.000002 0.000003 0.000002 0.000007 -0.000000 -0.000007 0.000001 0.000000 0.000000 0.000000 0.000001 0.000011 -0.000002 0.000005 0.000062 -0.000001 -0.000009 0.000056 -0.000011 -0.000011 0.000001 -0.000014 -0.000007 -0.000005 -0.000003 -0.000003 0.000002 -0.000003 -0.000001 0.000000 0.000001 0.000000 0.000001 PT7002.900S 2020-01-21T18:16:24.000 -10.77157 -10.75404 -10.75174 -10.74684 -10.74245 -10.73074 -10.72925 -10.72787 -10.72619 -10.72565 -10.72332 -10.72320 -10.70458 -10.69947 -1.40727 -1.36785 -1.31479 -1.30287 -1.26260 -1.25735 -1.20846 -1.16316 -1.12679 -1.09661 -1.08753 -1.04718 -1.02423 -0.99416 -0.96556 -0.95874 -0.95102 -0.92797 -0.92383 -0.91519 -0.90825 -0.88800 -0.86893 -0.86669 -0.85110 -0.84224 -0.81296 -0.80234 -0.77236 -0.76360 -0.75019 -0.73927 -0.66228 -0.57938 -0.52884 -0.49924 -0.46717 -0.44129 -0.35992 -0.33785 -0.32601 -0.30878 -0.30413 -0.29034 -0.28047 -0.27416 -0.26383 -0.25093 -0.23938 -0.22639 -0.21521 -0.20499 -0.18520 -0.17775 -0.16763 -0.15636 -0.13359 -0.11537 -0.06699 -0.04168 -0.03771 -0.01086 0.00621 0.00865 0.01231 0.03709 0.04225 0.04435 0.05211 0.06043 0.07079 0.07724 0.08254 0.08738 0.10500 0.12150 0.12356 0.13614 0.13859 0.14240 0.14852 0.14934 0.15397 0.16238 0.16968 0.20862 0.21637 0.22058 0.24517 0.27422 0.27508 0.33582 0.33594 0.35637 0.36733 0.36897 0.37652 0.38485 0.39097 0.42221 0.43146 0.43800 0.44753 0.44984 0.47493 0.48131 0.51844 0.53495 0.53661 0.57146 0.58056 0.59987 0.63208 0.65895 0.66715 0.68969 0.69811 0.71497 0.73096 0.73908 0.75724 0.81292 0.82194 0.82212 0.84847 0.85846 0.86361 0.88567 0.89911 0.90476 0.92673 0.93820 0.96261 0.96672 0.98319 1.01758 1.02462 1.17177 1.18403 1.21151 1.22720 1.26405 1.29104 1.29209 1.29641 1.31148 1.32674 1.34101 1.35039 1.35394 1.36814 1.38970 1.39314 1.42179 1.42792 1.43443 1.44361 1.47659 1.49551 1.50890 1.52406 1.54138 1.56017 1.56274 1.57744 1.65983 1.67714 1.70249 1.71701 1.73852 1.74746 1.76710 1.79840 1.80365 1.82615 1.83457 1.88401 1.92475 1.92490 1.92833 1.95601 1.96112 1.96650 1.97252 1.99316 2.01929 2.03877 2.04488 2.05510 2.06365 2.07463 2.09001 2.09905 2.12551 2.13554 2.14108 2.16132 2.20500 2.21700 2.23616 2.23998 2.25899 2.29889 2.34116 2.38929 2.45986 2.48802 2.53277 2.57349 2.59524 2.66097 2.67175 2.75331 2.77304 2.79107 2.81247 2.86461 2.89140 2.96981 3.03757 3.23934 3.30850 3.53284 3.56665 3.58645 3.60028 3.62146 3.64714 3.66860 3.76144 3.87006 3.87997 3.95859 4.01140 4.21442 4.37461 -10.75419 -10.74571 -10.74510 -10.74172 -10.73495 -10.72855 -10.72846 -10.72655 -10.72610 -10.72514 -10.72386 -10.71899 -10.70395 -10.70013 -1.39485 -1.35656 -1.30445 -1.29126 -1.25441 -1.24355 -1.19738 -1.15099 -1.11893 -1.08800 -1.06799 -1.03819 -1.01572 -0.98574 -0.95852 -0.95248 -0.94391 -0.92428 -0.91775 -0.90134 -0.90004 -0.87318 -0.86144 -0.84851 -0.84486 -0.83737 -0.80089 -0.78056 -0.75039 -0.69302 -0.64720 -0.58897 -0.56737 -0.56145 -0.50584 -0.48573 -0.44820 -0.42610 -0.34268 -0.33693 -0.32362 -0.30373 -0.28470 -0.27985 -0.27389 -0.26848 -0.26019 -0.24443 -0.23445 -0.21755 -0.21001 -0.19760 -0.17760 -0.17178 -0.16154 -0.14485 -0.12030 -0.10781 -0.05625 -0.03055 -0.01852 0.00308 0.01503 0.01582 0.02082 0.04579 0.05080 0.05212 0.06522 0.06845 0.07350 0.08139 0.09052 0.10663 0.11216 0.12686 0.13031 0.13879 0.14201 0.14660 0.15755 0.16429 0.17592 0.18074 0.18955 0.21702 0.22402 0.24804 0.25328 0.28231 0.29121 0.33719 0.34325 0.35829 0.36930 0.37717 0.37767 0.38829 0.39263 0.42881 0.43824 0.44054 0.45100 0.45384 0.48530 0.48737 0.52264 0.54150 0.54844 0.57707 0.58504 0.60728 0.63754 0.66487 0.67430 0.69798 0.70751 0.72676 0.74686 0.74901 0.76127 0.81934 0.82830 0.83113 0.85665 0.86987 0.87530 0.89876 0.90668 0.90936 0.93426 0.96606 0.97225 0.98959 1.00275 1.02121 1.03071 1.18141 1.19455 1.22682 1.23737 1.27604 1.29951 1.30086 1.31251 1.32038 1.34827 1.35357 1.36481 1.37691 1.39431 1.39612 1.40168 1.42966 1.44135 1.44496 1.45946 1.48551 1.50067 1.52374 1.53257 1.55377 1.57029 1.57800 1.59307 1.68391 1.68874 1.71596 1.73054 1.74902 1.75797 1.78733 1.80462 1.80507 1.83680 1.84654 1.89069 1.92724 1.92839 1.93114 1.95764 1.97000 1.97147 1.97825 1.99815 2.03044 2.04601 2.04865 2.06553 2.07176 2.07899 2.09619 2.10480 2.13372 2.14336 2.15035 2.17184 2.21097 2.22342 2.24074 2.24874 2.26617 2.30503 2.35076 2.39740 2.46707 2.50560 2.53771 2.58544 2.60364 2.67095 2.67615 2.75928 2.77367 2.79415 2.81580 2.86865 2.89575 2.97103 3.04081 3.24613 3.31057 3.54583 3.57745 3.60232 3.61753 3.63213 3.65132 3.67667 3.77065 3.88079 3.88739 3.96722 4.01818 4.22188 4.38331 4-A. -0.6892 0.7245 -1.0E-4 0.7245 0.6892 1.0E-4 -1.0E-4 0.0 1.0 -0.179 -0.0692 0.2481 -24.015 -9.283 33.299 -8.569 -3.312 11.882 -8.011 -3.097 11.107 1 C 13 1.0 -0.0022 -1.0E-4 1.0E-4 0.0 1.0 0.0022 1.0 -0.0 -0.59 -0.327 0.9171 -79.178 -43.884 123.062 -28.253 -15.659 43.912 -26.411 -14.638 41.049 2 C 13 -0.0 -0.0 1.0 0.0572 0.9984 0.0 0.9984 -0.0572 0.0 -0.1729 0.0419 0.131 -23.197 5.617 17.581 -8.277 2.004 6.273 -7.738 1.874 5.864 3 C 13 1.0 -0.0054 -1.0E-4 1.0E-4 -0.0 1.0 0.0054 1.0 0.0 -0.53 -0.4691 0.9991 -71.123 -62.949 134.072 -25.378 -22.462 47.84 -23.724 -20.997 44.722 4 C 13 2.0E-4 2.0E-4 1.0 0.5995 0.8003 -3.0E-4 0.8003 -0.5995 -1.0E-4 -0.0579 -0.0303 0.0882 -7.769 -4.07 11.839 -2.772 -1.452 4.225 -2.592 -1.358 3.949 5 C 13 0.0099 1.0 2.0E-4 0.9999 -0.0099 0.0038 -0.0038 -1.0E-4 1.0 -0.0366 0.0166 0.02 -4.908 2.227 2.681 -1.751 0.795 0.957 -1.637 0.743 0.894 6 C 13 0.0923 0.9957 -1.0E-4 0.9957 -0.0923 -1.0E-4 1.0E-4 1.0E-4 1.0 -0.1717 -0.1571 0.3288 -23.043 -21.08 44.124 -8.222 -7.522 15.744 -7.686 -7.032 14.718 7 C 13 1.0E-4 2.0E-4 1.0 0.8735 0.4869 -2.0E-4 -0.4869 0.8735 -1.0E-4 -0.0468 0.0176 0.0291 -6.276 2.365 3.911 -2.239 0.844 1.395 -2.093 0.789 1.305 8 C 13 0.0 1.0E-4 1.0 0.7076 0.7066 -1.0E-4 -0.7066 0.7076 -1.0E-4 -0.0633 0.0144 0.0489 -8.491 1.929 6.561 -3.03 0.688 2.341 -2.832 0.643 2.189 9 C 13 0.9917 0.1288 0.0 -0.1288 0.9917 -0.0 -0.0 0.0 1.0 -0.1854 -0.0797 0.2651 -24.879 -10.7 35.579 -8.877 -3.818 12.695 -8.299 -3.569 11.868 10 C 13 0.0 0.0 1.0 0.5651 0.8251 -0.0 0.8251 -0.5651 0.0 -0.2053 0.0907 0.1145 -27.549 12.178 15.371 -9.83 4.345 5.485 -9.189 4.062 5.127 11 C 13 0.9991 -0.0426 0.0 0.0426 0.9991 0.0 -0.0 -0.0 1.0 -0.218 -0.0154 0.2333 -29.247 -2.065 31.312 -10.436 -0.737 11.173 -9.756 -0.689 10.445 12 C 13 0.83 -0.5578 -1.0E-4 0.5578 0.83 1.0E-4 0.0 -1.0E-4 1.0 -0.0314 0.0012 0.0302 -4.211 0.157 4.054 -1.503 0.056 1.447 -1.405 0.052 1.352 13 C 13 -1.0E-4 0.0 1.0 0.984 -0.1783 1.0E-4 0.1783 0.984 -0.0 -0.0534 -0.0284 0.0818 -7.172 -3.805 10.978 -2.559 -1.358 3.917 -2.392 -1.269 3.662 14 C 13 0.2132 0.977 1.0E-4 -1.0E-4 -1.0E-4 1.0 0.977 -0.2132 1.0E-4 -0.0259 -0.0189 0.0447 -13.802 -10.066 23.869 -4.925 -3.592 8.517 -4.604 -3.358 7.962 15 H 1 0.0 -2.0E-4 1.0 -0.1811 0.9835 2.0E-4 0.9835 0.1811 0.0 -0.013 5.0E-4 0.0125 -6.953 0.26 6.693 -2.481 0.093 2.388 -2.319 0.087 2.232 16 H 1 -0.4086 0.9127 -0.0 2.0E-4 1.0E-4 1.0 0.9127 0.4086 -2.0E-4 -0.0211 -0.0053 0.0265 -11.279 -2.844 14.123 -4.025 -1.015 5.039 -3.762 -0.949 4.711 17 H 1 0.9317 0.3633 -6.0E-4 5.0E-4 3.0E-4 1.0 -0.3633 0.9317 -1.0E-4 -0.0049 -0.004 0.0089 -2.613 -2.146 4.759 -0.932 -0.766 1.698 -0.872 -0.716 1.588 18 H 1 0.7371 0.6757 -1.0E-4 1.0E-4 1.0E-4 1.0 -0.6757 0.7371 0.0 -0.006 -0.005 0.0109 -3.175 -2.649 5.824 -1.133 -0.945 2.078 -1.059 -0.884 1.943 19 H 1 -0.0 -1.0E-4 1.0 0.1961 0.9806 1.0E-4 0.9806 -0.1961 -0.0 -0.0088 -0.0017 0.0104 -4.67 -0.892 5.562 -1.666 -0.318 1.985 -1.558 -0.297 1.855 20 H 1 0.9547 -0.2974 -2.0E-4 2.0E-4 -1.0E-4 1.0 0.2974 0.9547 0.0 -0.0085 -0.008 0.0165 -4.552 -4.25 8.803 -1.624 -1.517 3.141 -1.519 -1.418 2.936 21 H 1 -2.9116 -1.8459 -0.0010 -0.0005 0.0008 4.1957 80.7497 102.2949 194.0085 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 80.7495 102.2949 194.0085 220.0877 229.5189 323.7686 339.9253 345.1616 360.8122 371.9318 426.1975 467.5737 496.8067 567.1836 572.7967 643.0278 645.8533 681.4010 698.3665 777.2750 791.2902 795.4133 869.6375 890.3559 902.3308 939.5572 978.1542 988.2976 1014.2136 1024.0264 1029.1972 1033.4261 1058.0268 1075.6284 1144.6514 1169.7972 1211.9213 1219.8282 1237.0913 1273.2660 1292.9727 1329.3206 1394.5538 1409.0853 1424.1099 1439.2521 1446.1520 1476.6377 1501.6450 1513.1047 1531.7203 1581.8455 3166.4114 3180.1160 3186.3714 3188.1127 3189.6304 3194.4009 3196.0792 3202.8041 5.0910 4.0800 4.7280 3.5958 4.9483 2.5372 7.3985 2.9411 2.4548 5.6490 4.3639 3.9440 7.3959 8.6131 7.4368 6.1841 3.7157 7.8512 4.3952 1.2987 1.4041 5.3676 6.6238 1.3680 6.4844 1.4130 1.4956 2.7121 1.5671 1.5177 2.5062 1.5103 3.5536 2.3579 2.3943 1.8794 2.8316 1.3221 2.1560 3.3232 2.6008 2.3708 2.2305 2.8088 1.7049 1.9836 1.9109 2.2360 4.0838 4.2841 5.4887 5.8046 1.0934 1.0949 1.0942 1.0950 1.0953 1.0979 1.0960 1.0987 0.0196 0.0252 0.1049 0.1026 0.1536 0.1567 0.5037 0.2064 0.1883 0.4604 0.4670 0.5080 1.0755 1.6325 1.4376 1.5066 0.9132 2.1478 1.2630 0.4623 0.5180 2.0009 2.9514 0.6389 3.1107 0.7349 0.8431 1.5607 0.9497 0.9377 1.5641 0.9503 2.3438 1.6073 1.8483 1.5152 2.4504 1.1591 1.9440 3.1743 2.5618 2.4683 2.5558 3.2859 2.0372 2.4209 2.3546 2.8726 5.4256 5.7790 7.5871 8.5576 6.4587 6.5242 6.5454 6.5576 6.5652 6.6007 6.5961 6.6404 7.8323 0.3681 0.3319 2.2438 0.3554 2.0470 0.3712 0.2329 0.1689 0.5810 2.6612 22.2239 0.4871 0.8244 0.4491 0.1971 0.1808 7.9806 6.7906 47.1584 21.2082 174.4869 2.8050 9.5736 20.9266 3.8790 9.1014 148.2652 4.9051 0.5102 65.2313 0.0131 26.2845 26.5332 13.7755 10.6458 7.0145 0.8571 11.8260 15.8924 3.4351 29.8071 61.9796 136.3209 71.9513 78.1842 23.8334 199.4390 65.2159 68.8731 62.7496 82.9593 110.7773 9.1507 19.6802 32.4479 26.5665 183.8472 80.1666 130.1215 -0.00 -0.00 0.23 -0.00 -0.00 0.01 -0.00 0.00 -0.15 -0.00 0.00 -0.22 0.00 0.00 -0.15 0.00 -0.00 -0.00 0.00 -0.00 0.22 0.00 -0.00 0.22 -0.00 0.00 0.01 0.00 0.00 -0.14 0.00 0.00 -0.20 0.00 0.00 -0.15 -0.00 0.00 0.00 -0.00 -0.00 0.22 -0.00 -0.00 0.39 -0.00 0.00 -0.02 0.00 -0.00 0.38 0.00 -0.00 0.39 -0.00 -0.00 -0.02 0.00 0.00 -0.21 -0.00 0.00 -0.02 -0.00 -0.00 0.37 -0.00 0.00 -0.16 0.00 0.00 -0.21 -0.00 0.00 -0.06 -0.00 0.00 -0.01 0.00 -0.00 0.04 0.00 0.00 0.20 0.00 0.00 0.15 0.00 -0.00 -0.12 -0.00 -0.00 -0.22 -0.00 0.00 -0.08 -0.00 0.00 -0.00 -0.00 0.00 0.07 -0.00 -0.00 0.23 -0.00 -0.00 0.14 0.00 -0.00 -0.32 -0.00 -0.00 0.34 0.00 0.00 0.30 -0.00 -0.00 -0.23 -0.00 -0.00 -0.37 0.00 0.00 0.00 -0.00 -0.00 0.40 -0.00 -0.00 0.25 0.00 0.00 -0.12 0.00 0.00 0.18 -0.00 -0.00 0.22 0.00 -0.00 -0.01 -0.00 0.00 -0.20 -0.00 0.00 -0.17 0.00 0.00 0.14 -0.00 0.00 0.15 -0.00 0.00 -0.15 -0.00 -0.00 -0.18 -0.00 -0.00 0.01 -0.00 -0.00 0.19 -0.00 -0.00 0.12 0.00 0.00 -0.16 0.00 0.00 -0.32 -0.00 0.00 -0.26 0.00 0.00 0.36 0.00 0.00 0.37 -0.00 -0.00 -0.25 0.00 -0.00 -0.00 -0.00 -0.00 0.17 0.00 0.00 -0.37 -0.00 -0.00 0.15 -0.00 -0.00 0.03 -0.00 0.00 -0.08 -0.00 0.00 -0.20 0.00 0.00 -0.07 0.00 -0.00 0.04 0.00 -0.00 0.15 -0.00 -0.00 -0.15 -0.00 -0.00 -0.08 -0.00 0.00 0.08 0.00 0.00 0.26 -0.00 0.00 0.06 0.00 -0.00 -0.09 0.00 -0.00 -0.14 -0.00 -0.00 0.40 0.00 -0.00 0.02 0.00 0.00 0.41 -0.00 -0.00 -0.30 -0.00 -0.00 -0.13 0.00 0.00 0.48 0.00 -0.00 -0.13 0.00 -0.00 -0.28 0.07 0.19 0.00 0.13 0.03 -0.00 0.02 -0.14 -0.00 -0.00 -0.16 -0.00 -0.02 -0.14 -0.00 -0.13 0.03 -0.00 -0.06 0.19 0.00 0.05 0.18 -0.00 0.13 0.01 -0.00 0.03 -0.15 0.00 0.00 -0.17 0.00 -0.02 -0.15 0.00 -0.12 0.02 -0.00 -0.04 0.19 -0.00 0.12 0.28 0.00 -0.30 0.03 -0.00 -0.11 0.27 0.00 0.11 0.27 -0.00 0.29 0.01 -0.00 0.00 -0.17 0.00 -0.29 0.02 -0.00 -0.09 0.28 -0.00 -0.00 -0.00 0.09 -0.00 -0.00 0.00 -0.00 -0.00 -0.07 -0.00 -0.00 -0.06 0.00 -0.00 -0.03 0.00 -0.00 0.17 0.00 -0.00 -0.13 0.00 0.00 0.08 0.00 0.00 0.03 0.00 0.00 -0.12 0.00 0.00 -0.03 0.00 0.00 0.07 -0.00 0.00 0.13 -0.00 0.00 -0.17 -0.00 0.00 0.32 0.00 -0.00 0.47 -0.00 -0.00 -0.49 0.00 0.00 0.14 0.00 0.00 0.06 0.00 0.00 -0.02 -0.00 0.00 0.36 0.00 0.00 -0.39 0.28 0.03 0.00 0.17 0.10 -0.00 0.08 0.04 -0.00 0.00 0.08 -0.00 -0.07 0.03 0.00 -0.16 0.09 -0.00 -0.27 0.04 0.00 -0.30 -0.01 -0.00 -0.23 -0.09 0.00 -0.08 -0.06 0.00 -0.02 -0.08 -0.00 0.08 -0.06 0.00 0.24 -0.09 0.00 0.30 -0.03 -0.00 0.22 -0.06 0.00 -0.18 0.09 -0.00 -0.22 -0.05 0.00 -0.26 0.04 -0.00 -0.23 -0.09 0.00 -0.02 -0.08 -0.00 0.24 -0.08 0.00 0.27 0.03 -0.00 -0.00 -0.00 -0.07 -0.00 -0.00 0.16 -0.00 -0.00 0.02 0.00 -0.00 -0.09 0.00 0.00 -0.09 0.00 0.00 0.05 0.00 0.00 0.08 0.00 -0.00 -0.20 0.00 0.00 0.21 0.00 0.00 0.03 0.00 0.00 -0.14 -0.00 -0.00 -0.05 -0.00 -0.00 0.11 -0.00 0.00 -0.03 0.00 0.00 -0.23 0.00 -0.00 0.07 0.00 0.00 0.31 0.00 -0.00 -0.45 0.00 0.00 0.58 0.00 0.00 -0.25 -0.00 -0.00 0.25 -0.00 0.00 -0.11 0.00 0.00 -0.11 0.00 -0.00 0.14 0.00 -0.00 0.04 0.00 0.00 -0.08 -0.00 0.00 -0.13 0.00 0.00 0.14 -0.00 0.00 -0.07 -0.00 0.00 0.03 -0.00 0.00 0.01 -0.00 0.00 -0.08 -0.00 -0.00 0.12 -0.00 -0.00 -0.05 0.00 -0.00 -0.10 0.00 -0.00 0.12 0.00 0.00 -0.45 0.00 0.00 0.46 -0.00 -0.00 -0.29 -0.00 -0.00 0.06 -0.00 0.00 0.02 0.00 0.00 0.43 -0.00 -0.00 -0.33 0.00 0.00 0.28 -0.11 -0.03 -0.00 -0.17 0.12 0.00 -0.08 0.21 0.00 -0.00 -0.00 -0.00 -0.08 -0.21 -0.00 -0.17 -0.12 0.00 -0.09 0.02 0.00 0.10 0.02 -0.00 0.17 -0.13 0.00 0.08 -0.20 -0.00 0.00 0.01 0.00 0.08 0.22 -0.00 0.17 0.13 -0.00 0.09 -0.03 0.00 -0.19 -0.16 -0.00 -0.28 -0.12 0.00 -0.16 0.15 -0.00 0.18 0.15 -0.00 0.28 -0.13 0.00 -0.25 0.01 0.00 0.29 0.13 -0.00 0.17 -0.17 0.00 -0.00 0.00 -0.08 -0.00 -0.00 0.30 -0.00 -0.00 -0.20 -0.00 0.00 -0.12 0.00 0.00 0.20 0.00 0.00 -0.04 -0.00 -0.00 -0.02 0.00 -0.00 0.08 0.00 -0.00 -0.13 0.00 0.00 0.17 0.00 0.00 0.01 0.00 -0.00 -0.19 -0.00 -0.00 0.13 -0.00 0.00 -0.04 0.00 0.00 -0.34 0.00 0.00 -0.26 -0.00 -0.00 -0.19 0.00 -0.00 0.11 0.00 -0.00 -0.53 0.00 0.00 0.08 -0.00 -0.00 0.41 -0.00 0.00 -0.06 0.00 -0.00 0.01 0.00 0.00 0.03 0.00 0.00 -0.18 0.00 -0.00 0.34 0.00 -0.00 -0.13 -0.00 -0.00 -0.06 0.00 0.00 0.03 -0.00 0.00 -0.03 -0.00 0.00 0.03 -0.00 -0.00 -0.14 -0.00 0.00 0.13 -0.00 0.00 -0.22 0.00 -0.00 0.07 0.00 -0.00 -0.05 -0.00 0.00 0.17 -0.00 -0.00 0.06 0.00 0.00 0.31 -0.00 0.00 0.08 -0.00 0.00 0.28 -0.00 0.00 0.58 0.00 -0.00 0.43 -0.00 -0.00 0.05 0.13 -0.18 0.00 0.10 0.01 0.00 0.13 0.16 -0.00 0.29 -0.01 -0.00 0.14 -0.16 0.00 0.11 0.01 0.00 0.13 0.18 -0.00 -0.10 0.18 0.00 -0.08 0.01 -0.00 -0.14 -0.16 0.00 -0.28 0.01 -0.00 -0.16 0.16 0.00 -0.10 -0.03 0.00 -0.13 -0.19 -0.00 0.18 -0.11 0.00 -0.12 0.02 -0.00 0.17 0.11 -0.00 -0.14 0.12 0.00 0.15 0.01 -0.00 -0.45 0.01 -0.00 0.13 -0.03 -0.00 -0.17 -0.11 -0.00 0.13 0.08 0.00 -0.09 0.45 -0.00 -0.28 0.06 -0.00 -0.12 -0.23 -0.00 0.05 0.02 0.00 0.11 -0.00 0.00 0.13 0.02 -0.00 0.10 -0.01 0.00 0.04 0.01 -0.00 0.03 0.00 -0.00 -0.09 0.13 0.00 -0.24 -0.10 0.00 -0.01 -0.35 -0.00 0.22 -0.05 0.00 -0.07 -0.25 0.00 0.13 -0.00 0.00 0.14 0.02 -0.00 0.07 -0.06 0.00 0.06 0.01 0.00 -0.07 0.13 0.00 -0.07 -0.35 -0.00 0.09 0.17 0.00 -0.14 0.03 -0.00 -0.10 -0.03 0.00 -0.04 0.01 0.00 0.09 -0.20 -0.00 0.26 0.06 0.00 0.10 0.37 0.00 -0.15 0.08 0.00 -0.21 -0.04 0.00 -0.00 -0.35 0.00 0.24 -0.08 -0.00 0.09 0.12 0.00 -0.01 -0.00 -0.00 -0.03 0.03 -0.00 -0.09 0.00 0.00 -0.14 0.03 -0.00 0.11 0.37 -0.00 0.01 -0.21 -0.00 -0.08 0.18 0.00 0.05 -0.35 0.00 0.08 0.12 0.00 -0.05 0.03 -0.00 -0.05 -0.06 0.00 0.24 -0.10 0.00 0.17 0.02 -0.00 0.08 0.01 0.00 -0.00 0.07 0.00 -0.08 0.01 -0.00 -0.18 0.00 0.00 -0.24 -0.11 0.00 0.15 -0.09 0.00 0.17 -0.10 -0.00 0.12 0.09 0.00 0.03 0.27 -0.00 -0.11 0.08 -0.00 -0.17 -0.09 0.00 -0.16 -0.08 -0.00 0.34 0.04 0.00 -0.08 -0.01 0.00 -0.33 0.03 -0.00 0.28 0.12 -0.00 0.03 -0.10 -0.00 0.04 0.28 -0.00 -0.06 -0.10 0.00 -0.28 0.14 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.10 -0.00 -0.00 0.25 0.00 -0.00 -0.00 0.00 -0.00 -0.23 0.00 0.00 0.04 0.00 0.00 0.00 -0.00 0.00 0.05 -0.00 0.00 -0.03 -0.00 -0.00 0.24 -0.00 -0.00 -0.01 0.00 -0.00 -0.23 0.00 0.00 0.04 0.00 0.00 -0.06 -0.00 -0.00 0.32 0.00 0.00 0.21 0.00 -0.00 -0.25 -0.00 -0.00 -0.20 -0.00 0.00 -0.49 -0.00 -0.00 -0.02 0.00 0.00 0.48 0.00 -0.00 0.17 -0.01 0.02 -0.00 -0.06 0.08 -0.00 0.00 0.22 0.00 -0.02 0.48 -0.00 -0.01 0.21 0.00 0.08 0.10 0.00 -0.00 0.02 -0.00 0.10 -0.05 -0.00 0.12 -0.17 0.00 0.03 -0.19 -0.00 -0.03 -0.32 0.00 -0.03 -0.19 -0.00 -0.10 -0.14 0.00 -0.09 -0.05 -0.00 -0.02 -0.00 0.00 0.24 0.10 -0.00 0.02 -0.00 0.00 0.18 0.07 0.00 0.22 -0.17 0.00 -0.04 -0.34 0.00 -0.19 -0.14 0.00 -0.15 0.05 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.06 -0.00 -0.00 0.28 0.00 -0.00 -0.18 0.00 -0.00 0.28 -0.00 -0.00 -0.02 -0.00 -0.00 -0.01 -0.00 0.00 -0.04 -0.00 0.00 0.01 0.00 0.00 -0.24 0.00 0.00 0.07 0.00 0.00 -0.21 0.00 0.00 0.02 0.00 0.00 -0.05 -0.00 0.00 0.26 -0.00 -0.00 -0.18 -0.00 0.00 0.17 -0.00 -0.00 0.23 -0.00 0.00 0.37 0.00 0.00 0.44 0.00 0.00 0.36 0.00 -0.00 0.23 -0.00 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.02 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.10 -0.00 0.00 -0.03 -0.00 -0.00 -0.08 0.00 0.00 0.09 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.03 0.00 -0.00 0.38 0.00 0.00 0.52 0.00 0.00 0.62 -0.00 0.00 0.35 0.00 0.00 -0.20 -0.00 -0.00 0.07 -0.00 -0.00 0.05 -0.00 -0.00 -0.10 -0.00 0.00 0.06 0.00 0.00 -0.04 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.00 0.01 0.00 -0.00 0.09 -0.00 -0.00 -0.10 -0.00 -0.00 -0.04 -0.00 0.00 0.51 -0.00 -0.00 -0.08 -0.00 -0.00 -0.09 -0.00 -0.00 -0.07 -0.00 0.00 0.02 0.00 -0.00 -0.20 -0.00 -0.00 0.43 -0.00 -0.00 0.68 -0.08 0.00 0.00 -0.04 0.22 -0.00 0.04 0.16 0.00 0.18 0.01 0.00 0.04 -0.14 -0.00 -0.03 -0.17 -0.00 -0.07 -0.01 0.00 -0.14 0.07 0.00 -0.10 0.11 0.00 0.07 0.08 0.00 0.32 -0.04 -0.00 0.08 -0.09 -0.00 -0.10 -0.10 0.00 -0.14 -0.07 0.00 -0.12 -0.04 -0.00 -0.15 -0.18 0.00 -0.08 0.00 0.00 -0.19 0.02 -0.00 -0.15 0.12 -0.00 0.62 -0.04 0.00 -0.16 -0.11 -0.00 -0.18 -0.02 -0.00 -0.16 0.17 -0.00 -0.04 -0.27 0.00 0.06 -0.00 -0.00 0.08 0.23 0.00 0.01 -0.09 -0.00 -0.01 -0.20 0.00 0.06 0.10 0.00 -0.09 0.09 0.00 -0.01 -0.13 0.00 0.05 -0.01 -0.00 -0.03 0.29 0.00 -0.08 -0.05 0.00 0.01 -0.28 -0.00 0.18 0.13 0.00 -0.16 0.20 -0.00 -0.18 -0.21 -0.00 0.03 0.16 -0.00 -0.07 0.12 -0.00 0.10 -0.14 -0.00 -0.00 0.31 -0.00 -0.19 -0.29 0.00 0.16 0.17 0.00 0.00 -0.00 -0.04 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.05 0.00 -0.00 -0.10 0.00 0.00 -0.04 -0.00 0.00 0.01 -0.00 -0.00 0.09 0.00 -0.00 -0.00 0.00 0.00 -0.09 0.00 0.00 0.04 -0.00 0.00 0.02 -0.00 -0.00 -0.01 0.00 0.00 0.22 0.00 -0.00 0.56 0.00 0.00 0.36 -0.00 0.00 -0.15 0.00 -0.00 -0.48 0.00 0.00 0.44 0.00 0.00 -0.14 -0.00 -0.00 0.09 0.21 -0.09 0.00 0.03 0.05 -0.00 -0.12 -0.08 0.00 -0.27 0.08 0.00 -0.15 0.02 -0.00 0.04 -0.14 0.00 0.30 0.15 0.00 -0.19 0.10 -0.00 -0.04 -0.24 -0.00 0.09 -0.05 -0.00 0.16 0.08 0.00 0.07 0.03 -0.00 -0.03 0.13 0.00 -0.12 -0.04 0.00 0.29 0.02 -0.00 -0.11 -0.14 -0.00 0.38 0.05 -0.00 -0.27 0.00 0.00 0.14 -0.26 0.00 0.14 0.08 -0.00 0.06 0.14 0.00 -0.18 0.05 -0.00 -0.00 0.00 -0.09 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.03 0.00 -0.00 0.07 -0.00 0.00 0.01 0.00 -0.00 -0.02 -0.00 0.00 -0.05 0.00 0.00 0.06 -0.00 0.00 -0.10 -0.00 -0.00 0.01 0.00 -0.00 0.08 0.00 -0.00 -0.00 -0.00 0.00 0.49 -0.00 0.00 -0.39 -0.00 0.00 -0.11 0.00 -0.00 0.22 -0.00 0.00 0.23 -0.00 0.00 0.50 0.00 -0.00 -0.46 0.00 -0.00 0.00 -0.00 0.00 0.10 0.00 0.00 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.05 -0.00 -0.00 -0.01 -0.00 0.00 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.04 0.00 -0.00 -0.12 -0.00 0.00 0.07 0.00 0.00 -0.08 -0.00 -0.00 -0.04 0.00 -0.00 -0.51 0.00 -0.00 -0.24 -0.00 -0.00 0.04 0.00 0.00 0.16 0.00 -0.00 -0.01 0.00 0.00 0.60 0.00 0.00 0.45 -0.00 -0.00 0.24 -0.02 0.02 -0.00 0.04 0.03 0.00 -0.02 -0.08 -0.00 -0.02 -0.00 0.00 0.01 0.09 -0.00 0.16 -0.15 0.00 -0.17 -0.10 -0.00 -0.09 0.18 0.00 0.08 0.00 0.00 -0.03 -0.02 -0.00 -0.01 -0.00 0.00 -0.04 0.02 -0.00 0.02 0.04 0.00 0.01 -0.04 0.00 -0.03 0.01 0.00 0.61 -0.18 -0.00 -0.16 -0.16 0.00 0.05 0.44 -0.00 0.40 -0.00 -0.00 -0.05 -0.01 -0.00 0.09 0.04 -0.00 0.06 -0.12 -0.00 0.00 0.00 -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.00 0.00 0.13 0.00 0.00 -0.14 0.00 -0.00 0.02 -0.00 -0.00 0.08 0.00 -0.00 -0.04 0.00 0.00 0.04 0.00 -0.00 -0.01 0.00 -0.00 -0.02 -0.00 -0.00 0.04 0.00 0.00 0.10 -0.00 0.00 -0.57 0.00 0.00 0.60 -0.00 -0.00 -0.03 -0.00 -0.00 -0.45 0.00 -0.00 -0.13 0.00 -0.00 0.07 -0.00 0.00 -0.18 -0.00 0.00 0.07 0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.02 0.00 0.00 -0.03 0.00 -0.00 0.02 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 0.03 -0.00 -0.00 -0.02 0.00 -0.00 0.11 -0.00 -0.00 -0.16 0.00 0.00 -0.28 -0.00 0.00 -0.09 0.00 0.00 0.14 0.00 -0.00 -0.07 -0.00 -0.00 -0.05 0.00 -0.00 -0.18 0.00 -0.00 -0.52 -0.00 -0.00 0.73 -0.09 0.19 -0.00 0.09 0.05 0.00 0.02 -0.04 0.00 -0.02 -0.02 0.00 -0.02 0.04 0.00 -0.01 -0.02 -0.00 0.02 0.06 0.00 0.06 -0.04 -0.00 -0.04 -0.02 0.00 -0.01 -0.02 -0.00 -0.01 0.02 -0.00 -0.02 -0.01 0.00 0.12 -0.04 -0.00 -0.14 -0.17 0.00 0.12 0.57 0.00 -0.02 -0.02 0.00 -0.06 0.20 -0.00 0.05 -0.08 0.00 -0.14 -0.02 -0.00 -0.03 0.03 0.00 0.53 -0.05 0.00 -0.03 -0.41 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.08 -0.00 0.00 -0.16 0.00 0.00 0.11 0.00 0.00 -0.02 -0.00 -0.00 0.02 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.00 -0.00 -0.30 0.00 0.00 0.76 0.00 -0.00 -0.51 0.00 -0.00 -0.13 -0.00 0.00 -0.04 0.00 0.00 0.03 -0.18 -0.06 -0.00 0.14 0.22 0.00 0.12 -0.21 -0.00 0.05 0.09 0.00 -0.04 -0.02 -0.00 -0.05 0.06 0.00 0.07 -0.01 0.00 0.03 0.02 -0.00 0.02 -0.13 0.00 -0.10 0.06 -0.00 -0.02 0.04 -0.00 -0.01 -0.02 0.00 -0.05 0.05 -0.00 0.06 -0.03 0.00 -0.47 -0.51 0.00 -0.25 0.07 -0.00 0.11 -0.08 -0.00 0.10 0.13 0.00 0.01 -0.15 -0.00 0.07 0.05 0.00 -0.15 0.06 0.00 0.21 -0.28 -0.00 0.03 -0.05 0.00 -0.02 -0.02 -0.00 -0.02 0.04 -0.00 0.04 -0.03 -0.00 0.05 0.05 0.00 0.05 -0.12 -0.00 -0.06 0.14 -0.00 0.10 -0.04 0.00 -0.09 -0.09 -0.00 0.01 0.06 0.00 -0.02 0.00 0.00 -0.07 -0.11 -0.00 -0.01 0.14 -0.00 0.05 -0.00 0.00 -0.02 -0.14 -0.00 0.12 -0.14 0.00 -0.31 0.59 -0.00 0.20 0.10 -0.00 -0.43 -0.09 0.00 0.15 -0.00 -0.00 -0.20 0.16 0.00 0.14 -0.17 -0.00 -0.02 -0.01 -0.00 -0.02 -0.00 0.00 0.03 0.00 0.00 0.01 -0.08 -0.00 -0.04 0.04 0.00 0.03 -0.01 -0.00 0.01 0.02 0.00 0.06 0.04 -0.00 -0.05 -0.13 0.00 -0.11 0.08 -0.00 0.02 -0.08 0.00 0.12 0.15 0.00 0.01 -0.14 0.00 -0.04 0.06 -0.00 -0.06 -0.08 0.00 0.14 -0.02 -0.00 -0.06 0.15 -0.00 0.28 0.39 -0.00 -0.31 -0.14 0.00 -0.05 -0.08 -0.00 0.24 -0.17 -0.00 -0.31 0.53 0.00 0.04 0.03 -0.00 -0.03 -0.07 -0.00 -0.03 0.08 0.00 0.02 -0.03 -0.00 -0.04 -0.03 0.00 -0.01 0.05 0.00 0.04 -0.06 0.00 0.05 0.05 -0.00 -0.00 -0.07 0.00 -0.13 0.04 0.00 0.07 -0.02 0.00 -0.11 0.01 -0.00 -0.02 0.04 0.00 0.06 -0.04 0.00 0.21 0.32 0.00 -0.17 0.07 0.00 0.20 -0.36 -0.00 0.24 0.36 0.00 0.02 -0.08 0.00 0.52 -0.03 -0.00 -0.05 0.04 0.00 0.19 -0.26 -0.00 0.01 -0.04 -0.00 -0.04 0.02 0.00 0.03 0.06 0.00 -0.01 -0.01 -0.00 0.09 0.01 -0.00 -0.03 -0.07 0.00 0.01 -0.01 -0.00 -0.07 -0.00 -0.00 0.10 -0.04 0.00 0.01 0.19 -0.00 -0.17 -0.02 -0.00 -0.01 -0.18 -0.00 0.13 0.04 0.00 -0.09 0.06 -0.00 -0.01 -0.08 -0.00 -0.51 -0.06 -0.00 0.13 -0.23 0.00 0.05 0.21 -0.00 0.27 -0.05 -0.00 0.18 -0.02 0.00 0.49 0.03 -0.00 -0.20 0.24 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.00 0.01 -0.03 -0.00 0.01 0.01 0.00 0.01 0.01 -0.00 0.00 0.02 -0.00 -0.01 0.02 0.00 0.01 -0.04 0.00 0.01 -0.00 -0.00 -0.08 -0.05 0.00 0.06 0.00 0.00 -0.10 0.04 -0.00 0.01 0.02 0.00 0.01 0.02 0.00 -0.13 -0.22 0.00 0.08 0.01 0.00 -0.15 0.27 -0.00 -0.17 -0.34 0.00 0.38 -0.01 0.00 0.51 -0.00 -0.00 0.42 0.01 0.00 -0.12 0.26 0.00 -0.05 -0.02 -0.00 0.05 -0.00 -0.00 0.10 0.14 0.00 -0.00 -0.14 -0.00 -0.09 0.12 0.00 -0.05 -0.02 0.00 0.04 0.01 -0.00 -0.04 -0.01 0.00 0.05 -0.06 0.00 -0.04 0.07 -0.00 -0.03 -0.01 0.00 0.06 -0.00 0.00 -0.01 -0.04 -0.00 0.01 0.01 0.00 0.06 0.15 -0.00 0.17 -0.03 -0.00 -0.10 0.27 -0.00 -0.23 -0.33 0.00 0.56 -0.08 0.00 0.01 -0.01 0.00 -0.43 -0.04 -0.00 0.16 -0.25 0.00 -0.05 0.04 -0.00 0.10 -0.06 0.00 0.09 0.09 0.00 -0.00 -0.09 -0.00 -0.11 0.13 0.00 -0.07 -0.06 0.00 0.05 -0.01 -0.00 -0.04 0.04 -0.00 0.01 0.02 -0.00 0.23 0.01 0.00 0.03 -0.13 0.00 -0.22 0.08 -0.00 -0.04 0.01 -0.00 0.05 0.01 0.00 -0.32 -0.39 0.00 -0.06 -0.06 0.00 0.20 -0.25 -0.00 -0.04 0.05 -0.00 -0.47 0.03 -0.00 -0.11 -0.15 -0.00 0.40 0.00 0.00 0.06 -0.00 -0.00 -0.03 -0.02 0.00 0.09 -0.02 0.00 0.04 0.13 0.00 -0.03 -0.05 -0.00 -0.13 -0.06 0.00 -0.01 0.06 0.00 0.02 0.00 0.00 0.05 0.03 -0.00 -0.05 0.03 -0.00 -0.04 -0.13 0.00 -0.02 0.14 -0.00 0.04 -0.18 -0.00 0.08 0.03 0.00 -0.07 0.04 -0.00 -0.21 -0.30 -0.00 0.68 0.04 -0.00 0.17 -0.25 -0.00 0.14 0.17 -0.00 -0.14 0.03 0.00 0.17 0.16 0.00 0.06 0.03 0.00 -0.14 0.15 0.00 0.02 0.03 0.00 -0.00 -0.02 0.00 0.00 0.02 -0.00 0.02 -0.06 -0.00 0.07 0.22 0.00 -0.02 -0.06 -0.00 0.01 -0.06 0.00 0.06 0.01 -0.00 -0.09 0.04 -0.00 -0.06 -0.16 0.00 0.08 0.08 -0.00 0.03 -0.03 0.00 0.02 0.02 0.00 -0.02 -0.03 -0.00 -0.16 -0.24 -0.00 -0.72 -0.05 0.00 0.02 -0.09 -0.00 0.17 0.19 -0.00 0.26 0.03 0.00 -0.23 0.09 -0.00 -0.19 0.03 -0.00 -0.12 0.13 -0.00 -0.08 -0.15 -0.00 -0.07 0.08 -0.00 0.02 -0.07 -0.00 0.11 0.00 -0.00 -0.02 0.09 0.00 -0.11 -0.01 0.00 0.05 -0.05 0.00 0.02 0.07 -0.00 -0.03 -0.01 -0.00 0.04 -0.06 0.00 0.01 0.02 -0.00 -0.07 -0.05 -0.00 0.04 0.04 0.00 0.06 0.02 0.00 0.42 0.65 0.00 0.20 -0.02 -0.00 0.00 0.03 -0.00 -0.07 -0.06 0.00 -0.13 -0.01 0.00 -0.07 0.02 0.00 0.07 0.04 0.00 -0.15 0.42 0.00 0.13 0.15 0.00 -0.15 -0.04 0.00 -0.04 -0.04 -0.00 0.17 0.00 -0.00 -0.05 -0.00 0.00 -0.13 0.03 0.00 0.06 -0.06 0.00 0.02 0.06 -0.00 -0.04 -0.05 0.00 -0.00 0.10 -0.00 0.03 0.00 0.00 0.04 -0.09 -0.00 -0.08 0.05 -0.00 0.00 -0.07 -0.00 -0.16 -0.32 -0.00 0.40 0.01 -0.00 -0.00 0.07 -0.00 -0.05 -0.06 0.00 0.28 -0.07 0.00 -0.54 0.01 -0.00 0.38 0.04 0.00 0.03 -0.12 -0.00 0.02 -0.05 -0.00 -0.02 0.02 -0.00 0.03 -0.00 0.00 -0.04 0.01 -0.00 0.04 0.00 -0.00 -0.05 0.02 0.00 0.08 -0.09 -0.00 -0.04 -0.03 0.00 -0.07 0.04 -0.00 0.05 -0.05 0.00 -0.03 0.01 -0.00 0.02 0.01 0.00 -0.05 -0.05 -0.00 -0.03 0.12 0.00 0.07 0.02 -0.00 0.06 0.02 -0.00 -0.20 0.42 0.00 0.24 0.46 -0.00 0.15 0.05 -0.00 0.15 0.00 0.00 0.35 -0.07 0.00 0.29 -0.44 0.00 0.07 0.02 0.00 -0.11 0.02 0.00 0.06 -0.06 0.00 0.02 -0.02 -0.00 0.05 0.10 -0.00 -0.07 -0.06 0.00 -0.04 0.06 0.00 0.04 0.06 -0.00 0.05 -0.01 0.00 -0.02 -0.08 0.00 -0.09 0.02 -0.00 0.08 0.04 0.00 -0.03 -0.04 -0.00 -0.04 0.05 -0.00 0.00 -0.10 -0.00 0.12 -0.08 -0.00 0.21 -0.39 0.00 -0.18 -0.32 0.00 -0.38 -0.01 -0.00 0.50 0.02 0.00 0.07 -0.05 -0.00 0.18 -0.35 0.00 0.02 0.09 0.00 -0.04 -0.00 0.00 0.03 -0.05 -0.00 0.01 0.01 0.00 0.01 0.00 -0.00 -0.08 -0.00 0.00 0.06 -0.02 -0.00 -0.04 -0.04 0.00 -0.04 0.03 0.00 0.10 -0.00 0.00 -0.12 -0.03 -0.00 0.01 0.07 -0.00 0.05 0.02 0.00 0.01 -0.14 -0.00 -0.10 -0.08 -0.00 0.21 -0.01 -0.00 -0.01 0.12 0.00 0.17 0.31 -0.00 0.14 0.04 -0.00 0.52 -0.04 0.00 -0.52 0.04 -0.00 -0.24 0.29 -0.00 -0.02 -0.04 0.00 -0.02 0.02 -0.00 -0.00 -0.04 -0.00 0.06 -0.01 -0.00 -0.09 0.02 0.00 0.03 -0.05 0.00 -0.07 0.19 -0.00 0.04 -0.16 0.00 -0.12 0.04 -0.00 0.06 0.02 -0.00 -0.01 -0.01 0.00 0.03 0.02 0.00 -0.07 -0.01 -0.00 0.04 0.02 0.00 0.09 0.14 -0.00 0.08 -0.06 -0.00 0.32 -0.48 0.00 0.26 0.17 -0.00 0.61 0.04 0.00 0.00 -0.01 -0.00 0.21 -0.01 0.00 0.06 -0.01 0.00 0.05 0.01 -0.00 -0.16 0.04 0.00 0.27 -0.03 0.00 -0.15 -0.00 -0.00 0.14 -0.04 -0.00 -0.10 -0.03 0.00 0.02 0.11 -0.00 -0.05 -0.11 0.00 0.05 0.02 0.00 -0.12 0.02 -0.00 0.18 -0.01 0.00 -0.17 0.01 0.00 0.11 -0.01 0.00 -0.05 0.03 0.00 0.02 -0.06 0.00 0.44 -0.06 -0.00 0.17 -0.14 -0.00 0.15 0.22 -0.00 0.01 0.03 -0.00 -0.55 0.00 -0.00 -0.28 0.00 -0.00 0.00 -0.09 0.00 0.02 -0.06 -0.00 0.13 -0.02 0.00 -0.21 -0.04 -0.00 0.09 0.05 0.00 0.08 -0.01 -0.00 -0.12 -0.02 0.00 -0.00 -0.01 0.00 0.11 0.08 -0.00 -0.14 -0.05 -0.00 0.05 0.07 0.00 0.03 -0.07 -0.00 -0.11 0.08 0.00 0.25 -0.07 0.00 -0.18 0.16 -0.00 -0.06 -0.21 0.00 0.24 -0.04 -0.00 0.11 -0.21 0.00 -0.04 -0.19 0.00 0.33 -0.07 0.00 -0.05 -0.08 0.00 -0.51 -0.07 -0.00 0.08 -0.33 -0.00 0.07 0.00 -0.00 -0.07 0.00 0.00 -0.10 -0.09 -0.00 0.29 -0.02 -0.00 -0.27 0.09 0.00 0.10 0.02 -0.00 0.04 0.05 -0.00 -0.20 -0.19 0.00 0.24 0.07 -0.00 -0.08 -0.06 -0.00 0.04 0.03 0.00 -0.06 0.00 -0.00 0.16 -0.03 0.00 -0.12 0.09 -0.00 -0.00 -0.14 0.00 -0.19 0.04 0.00 -0.05 0.26 -0.00 0.14 0.40 -0.00 -0.39 0.09 -0.00 0.04 0.03 -0.00 -0.26 -0.02 -0.00 0.05 -0.22 -0.00 0.08 0.02 -0.00 -0.23 0.05 -0.00 0.27 -0.07 0.00 -0.03 -0.01 -0.00 -0.25 -0.09 0.00 0.27 0.08 -0.00 -0.08 -0.10 0.00 0.13 0.15 -0.00 -0.18 -0.04 -0.00 0.15 0.01 0.00 -0.03 0.00 -0.00 -0.09 -0.02 -0.00 0.13 -0.02 0.00 -0.08 0.05 -0.00 0.05 -0.06 0.00 -0.52 0.13 0.00 -0.20 0.07 0.00 -0.12 -0.29 0.00 0.24 -0.05 0.00 0.05 0.00 -0.00 -0.21 -0.01 -0.00 0.01 -0.13 -0.00 -0.07 0.05 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.00 0.00 0.83 -0.51 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 -0.01 0.00 0.00 0.02 -0.00 -0.16 -0.09 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.08 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.00 -0.00 -0.00 -0.00 0.02 -0.01 0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.00 -0.03 0.02 0.00 -0.00 -0.20 0.00 0.01 0.94 -0.00 -0.00 -0.23 0.00 0.06 0.03 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 -0.00 -0.07 0.00 0.03 0.02 0.00 -0.08 0.05 -0.00 -0.00 -0.02 -0.00 0.05 0.03 -0.00 -0.06 0.04 0.00 -0.00 -0.24 0.00 0.00 0.18 -0.00 0.02 0.82 -0.00 -0.40 -0.23 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.00 0.03 0.02 -0.00 -0.02 0.02 0.00 0.00 -0.07 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.01 0.00 -0.02 0.01 -0.00 0.01 0.18 0.00 -0.37 -0.21 0.00 0.28 -0.17 -0.00 0.01 0.76 -0.00 0.00 0.23 -0.00 0.00 0.15 -0.00 -0.13 -0.07 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.03 0.00 -0.06 -0.04 0.00 0.01 0.00 -0.00 -0.00 -0.04 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 -0.01 0.01 -0.00 -0.02 -0.36 -0.00 0.67 0.38 -0.00 -0.05 0.03 0.00 0.01 0.50 -0.00 0.00 0.10 -0.00 0.00 0.03 -0.00 -0.05 -0.03 -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 -0.01 -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 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.04 0.00 -0.07 -0.04 -0.00 0.12 -0.08 0.00 0.00 0.08 0.00 0.04 0.02 -0.00 0.03 -0.02 -0.00 0.00 0.04 -0.00 0.00 0.07 -0.00 0.01 0.49 -0.00 0.74 0.41 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.08 -0.00 -0.03 -0.01 0.00 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 0.01 0.00 0.00 -0.02 0.01 -0.00 0.03 0.88 0.00 0.29 0.16 -0.00 -0.25 0.15 0.00 0.00 0.09 -0.00 0.00 0.01 -0.00 -0.00 -0.04 -0.00 -0.07 -0.04 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.00 -0.02 -0.02 0.00 -0.07 0.04 0.00 0.00 0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 0.01 0.20 0.00 0.28 0.16 -0.00 0.76 -0.46 -0.00 -0.01 -0.24 0.00 -0.00 -0.02 0.00 -0.00 -0.03 0.00 -0.03 -0.02 -0.00 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 176.06260 800.78531 4075.53876 4876.32408 0.99998 0.00572 0.0 -0.00572 0.99998 -0.0 -0.0 0.0 1.0 asymmetric 1 0.10816 0.02125 0.01776 2.25371 0.44282 0.37010 430866.0 116.18 147.18 279.13 316.66 330.23 465.83 489.08 496.61 519.13 535.13 613.20 672.73 714.79 816.05 824.13 925.17 929.24 980.38 1004.79 1118.33 1138.49 1144.42 1251.21 1281.02 1298.25 1351.81 1407.35 1421.94 1459.23 1473.35 1480.79 1486.87 1522.26 1547.59 1646.90 1683.08 1743.68 1755.06 1779.90 1831.95 1860.30 1912.60 2006.45 2027.36 2048.98 2070.76 2080.69 2124.55 2160.53 2177.02 2203.80 2275.92 4555.76 4575.48 4584.48 4586.98 4589.17 4596.03 4598.45 4608.12 0.164108 0.174408 0.175352 0.127122 -536.676555 -536.666256 -536.665311 -536.713541 109.442 42.135 101.507 0.000 0.000 2.755 0.889 2.981 41.404 0.889 2.981 31.143 107.665 36.173 26.205 1 0.600 1.962 3.873 2 0.604 1.947 3.410 3 0.635 1.848 2.189 4 0.647 1.810 1.958 5 0.652 1.796 1.883 6 0.708 1.628 1.291 7 0.720 1.596 1.213 8 0.724 1.585 1.188 9 0.735 1.553 1.119 10 0.744 1.530 1.072 11 0.788 1.413 0.871 12 0.825 1.322 0.744 13 0.852 1.257 0.666 14 0.923 1.102 0.510 15 0.929 1.090 0.499 0.337124e-58 -58.472210 -134.637239 0.102863e+18 17.012259 39.172174 0.642737e-73 -73.191967 -168.530732 1 0.255010e+01 0.406557 0.936133 2 0.200533e+01 0.302187 0.695811 3 0.103009e+01 0.012874 0.029643 4 0.898716e+00 -0.046378 -0.106789 5 0.858315e+00 -0.066353 -0.152784 6 0.579293e+00 -0.237101 -0.545946 7 0.546277e+00 -0.262587 -0.604628 8 0.536201e+00 -0.270673 -0.623247 9 0.507719e+00 -0.294377 -0.677827 10 0.488849e+00 -0.310826 -0.715702 11 0.410031e+00 -0.387183 -0.891523 12 0.361479e+00 -0.441916 -1.017550 13 0.331755e+00 -0.479183 -1.103359 14 0.272104e+00 -0.565265 -1.301570 15 0.267948e+00 -0.571950 -1.316963 0.196111e+03 2.292502 5.278681 1 0.309866e+01 0.491173 1.130968 2 0.256673e+01 0.409380 0.942632 3 0.164502e+01 0.216172 0.497755 4 0.152844e+01 0.184249 0.424248 5 0.149333e+01 0.174156 0.401009 6 0.126523e+01 0.102170 0.235256 7 0.124055e+01 0.093615 0.215557 8 0.123315e+01 0.091016 0.209573 9 0.121259e+01 0.083712 0.192755 10 0.119927e+01 0.078916 0.181710 11 0.114663e+01 0.059422 0.136824 12 0.111698e+01 0.048046 0.110631 13 0.110005e+01 0.041413 0.095357 14 0.106925e+01 0.029078 0.066953 15 0.106727e+01 0.028275 0.065105 0.400000e+01 0.602060 1.386294 0.918236e+08 7.962955 18.335380 0.142805e+07 6.154742 14.171818 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.1938 1.3343 0.0001 1.3483 74.1994 -33.1663 -73.0803 2.2716 0.0002 -0.0004 84.8818 -22.4839 -62.3979 2.2716 0.0002 -0.0004 15.6618 22.2222 0.0001 -11.9288 -9.6877 0.0093 -0.3317 0.0519 -0.0010 0.0014 -391.7339 -450.1749 -70.4202 -7.3442 0.0017 34.8580 -0.0026 0.0000 -0.0003 -279.7591 -501.2674 -119.6174 -0.0085 0.0038 0.6454 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) 0 4-A -536.8406631 3.853437 0. 3.752855 2.868E-9 8.522E-5 0.1641082 0.1744076 40.0520345,6.3384948,-46.3905293,36.2170088,0.2045284,-0.0157698 C01[X(C14H8)] -0.3379336 0.4088993 -0.0022305 1.0596912 0.281172 0.0021814 0.1138136 -0.0341115 0.0010523 0.0026051 0.0015589 0.2073099 -0.2275474 -0.0632905 -0.0012663 -0.932563 0.0870309 -0.0029774 0.0010202 0.0000663 0.1882837 -0.3210043 -0.2422306 -0.0006317 -0.4497049 -0.6668936 0.0003214 -0.0000429 0.0010442 0.0399823 0.9434491 0.3942589 0.0015515 0.3459031 0.640754 0.0000276 0.0016681 0.0001676 0.1938997 -0.875383 -0.2364785 -0.0025459 0.0688041 -0.1469178 0.0007456 -0.0033868 -0.0003792 0.0377188 -0.3513746 -0.8541771 0.0005283 0.0711878 0.2294115 0.0000537 -0.0019105 -0.0030768 0.1608035 0.3201381 0.5685281 -0.0010334 0.7119395 0.6254269 0.0012708 -0.0014498 0.0007096 0.1741597 0.7278925 0.2366236 0.0016085 -0.1074421 -0.6699643 0.001685 0.0025989 0.0029822 0.0883613 -0.1921543 0.0808121 -0.0013124 -0.594044 0.2510077 -0.0024402 0.0005083 -0.0001111 0.1177329 0.4625393 0.0764325 0.0008892 0.1568136 0.1128288 0.0006427 0.0006428 0.0003655 0.1502121 -0.5685028 -0.4989773 -0.0009652 -0.474921 0.0145899 -0.0014295 -0.0010273 -0.0015298 0.0953007 0.4651146 0.2927814 0.0002641 0.1008263 0.3014391 -0.0000378 0.0007957 0.0006631 0.1607332 0.0080252 -0.6476798 0.0013573 -0.0130399 0.094232 0.0000067 -0.0003121 -0.0022174 0.1121577 -0.3140305 0.4609547 -0.0026172 0.7993459 0.296415 0.0022255 -0.003555 0.0010834 0.0906489 0.4911866 0.0681991 0.0010337 -0.0170353 0.157893 -0.000077 0.001294 0.0002401 0.1511016 0.0858135 -0.0630243 -0.0000534 0.0354317 0.3288121 -0.0003464 -0.0002789 -0.0006543 0.1488164 0.2269793 0.1088327 -0.0000136 0.1565324 0.3194192 0.0000519 -0.0002312 -0.000203 0.143501 0.3878403 0.0652363 0.0006229 0.0179943 0.1420162 0.0001064 0.0007785 0.0002883 0.1576898 0.2263202 -0.0511524 0.0004569 -0.110027 0.14346 -0.0004068 0.0006061 -0.000203 0.1376499 0.1152102 -0.0559757 0.0000484 -0.0548845 0.186522 -0.0003118 0.0000423 -0.0003026 0.1456592 0.0964182 -0.040753 -0.0000513 0.0253811 0.2853518 -0.0003007 -0.0002314 -0.0005412 0.141872 0.2333789 0.1199079 -0.0000518 0.1496883 0.301277 0.0001381 -0.000134 0.0000491 0.1564056 295.0379599|98.0449948|195.0643576|0.616845|-0.0686045|42.6339048 -0.000157253 -0.000123722 0.000018438 0.000164911 0.000143062 -0.000006125 -0.000072154 -0.000142619 -0.000001563 0.000188879 -0.000011599 0.000005765 -0.000147299 0.000081641 0.000001041 -0.000058922 0.000020869 -0.000011426 0.000098254 -0.000106846 0.000009836 -0.000005044 0.000213980 0.000003265 -0.000074351 -0.000175621 -0.000005587 -0.000086761 -0.000075393 -0.000000239 0.000213400 -0.000002251 -0.000006709 -0.000197715 0.000246132 0.000000228 -0.000058243 -0.000094015 -0.000003709 0.000139072 0.000031210 -0.000002368 0.000008651 -0.000003438 -0.000007575 -0.000006895 0.000009313 0.000004323 0.000012117 -0.000001728 -0.000004288 0.000014205 -0.000007187 -0.000001899 0.000038085 0.000014252 0.000003514 0.000004888 0.000007025 0.000004137 -0.000008234 -0.000006230 0.000002010 -0.000009589 -0.000016838 -0.000001070 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22/rA:22nC0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;/rC:1.7421,1.757,-.0022;.9927,.5476,-.0015;-.382,.4548,-.0061;-1.1362,-.7194,-.0056;-2.5308,-.8179,-.0101;-3.231,-2.025,-.0093;-4.6798,-2.0093,-.0144;-5.3931,-.7909,-.0202;-4.7013,.4322,-.0211;-3.2662,.4593,-.0161;-2.5538,1.6872,-.017;-1.1312,1.7258,-.0121;-.3936,2.9612,-.0128;1.0132,2.974,-.0079;2.8346,1.7449,.0018;-2.7033,-2.9783,-.005;-5.2173,-2.9579,-.0135;-6.482,-.8007,-.024;-5.2602,1.3677,-.0257;-3.1103,2.6245,-.0215;-.9337,3.9078,-.0173;1.5511,3.9218,-.0086; Gaussian 16 21-Jan-2020 Gaussian 16 20-Dec-2017 EM64L-G16RevB.01 60 C1[X(C14H8)] UB3LYP 6-311++G(3df,3pd) SP # b3lyp/6-311++g(3df,3pd) geom=check guess=read scf=tight 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22/rA:22nC0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;/rC:1.7421,1.757,-.0022;.9927,.5476,-.0015;-.382,.4548,-.0061;-1.1362,-.7194,-.0056;-2.5308,-.8179,-.0101;-3.231,-2.025,-.0093;-4.6798,-2.0093,-.0144;-5.3931,-.7909,-.0202;-4.7013,.4322,-.0211;-3.2662,.4593,-.0161;-2.5538,1.6872,-.017;-1.1312,1.7258,-.0121;-.3936,2.9612,-.0128;1.0132,2.974,-.0079;2.8346,1.7449,.0018;-2.7033,-2.9783,-.005;-5.2173,-2.9579,-.0135;-6.482,-.8007,-.024;-5.2602,1.3677,-.0256;-3.1103,2.6245,-.0215;-.9337,3.9078,-.0173;1.5511,3.9218,-.0086; chk=anthracene-H2.q3.m4.chk # b3lyp/6-311++g(3df,3pd) geom=check guess=read scf=tight 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=1616,11=2,14=-4,25=1,30=1,74=-5,116=-2/1,2,3 4/5=1/1 5/5=2,32=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 anthracene-H2.q3.m4 Redundant internal coordinates found in file. (old form). Structure from the checkpoint file: "anthracene-H2.q3.m4.chk" Charge = 3 Multiplicity = 4 6-311++G(3df,3pd) (5D, 7F) 782 A 690 A 690 980 782 46 43 727.6480490267 22 22 22 1.00e+00 60 F 0.000000 1.422749 0.000000 2.491499 1.377811 0.000000 3.796975 2.477358 1.395547 0.000000 4.988773 3.778817 2.497418 1.398100 0.000000 6.247842 4.945502 3.777082 2.468403 1.395476 0.000000 7.444878 6.222145 4.954093 3.771129 2.457181 1.448904 0.000000 7.576453 6.524526 5.163582 4.257531 2.862435 2.489509 1.411828 0.000000 6.578219 5.695166 4.319375 3.746562 2.504829 2.863526 2.441592 1.405156 0.000000 5.173728 4.259821 2.884229 2.434489 1.473889 2.484604 2.844709 2.467086 1.435347 0.000000 4.296490 3.725057 2.497078 2.793100 2.505212 3.773443 4.264238 3.768575 2.487317 1.419544 0.000000 2.873511 2.428782 1.475360 2.445206 2.903317 4.298552 5.152019 4.949440 3.797226 2.482364 1.423104 0.000000 2.451838 2.783382 2.506438 3.754798 4.341607 5.737019 6.563355 6.250834 4.995227 3.809381 2.507921 1.438887 0.000000 1.418653 2.426477 2.879730 4.273283 5.190210 6.557677 7.565924 7.430616 6.254268 4.963530 3.791976 2.481209 1.406806 0.000000 1.092494 2.196815 3.465629 4.673263 5.945998 7.141663 8.399992 8.609533 7.649347 6.234757 5.388659 3.965815 3.449691 2.197318 0.000000 6.495012 5.108108 4.144271 2.749311 2.167277 1.089630 2.201290 3.466966 3.952708 3.483464 4.667899 4.959858 6.372843 7.017307 7.278533 0.000000 8.406177 7.131097 5.918342 4.654739 3.434669 2.194451 1.090338 2.174215 3.429215 3.935038 5.354557 6.215562 7.635736 8.602697 9.324633 2.514034 0.000000 8.612735 7.595384 6.227933 5.346537 3.951331 3.473934 2.169940 1.089032 2.165924 3.453896 4.649831 5.917333 7.156934 8.392076 9.658139 4.361296 2.500669 0.000000 7.013155 6.306450 4.962906 4.622142 3.496720 3.953278 3.426524 2.162683 1.089752 2.191158 2.725208 4.144498 5.120859 6.475746 8.103554 5.042429 4.325907 2.489006 0.000000 4.929438 4.598762 3.485937 3.883259 3.490940 4.651125 4.892401 4.108020 2.708772 2.170809 1.090164 2.173667 2.737549 4.138298 6.009645 5.617654 5.966863 4.806340 2.490272 0.000000 3.433109 3.873238 3.496822 4.631683 4.988342 6.362095 7.003262 6.477946 5.125897 4.163262 2.748830 2.190977 1.089859 2.159226 4.344882 7.109914 8.092468 7.277012 5.017055 2.526792 0.000000 2.173224 3.420068 3.969497 5.363043 6.255143 7.631064 8.602454 8.392311 7.160307 5.932562 4.673737 3.466606 2.169007 1.089810 2.527062 8.106289 9.651007 9.318484 7.274436 4.838616 2.484853 0.000000 C14H8(3+,4) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22/rA:22nC0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;/rC:3.7467,-.8159,0;2.4779,-1.4597,0;1.2552,-.8246,0;.0007,-1.4359,-.0001;-1.2421,-.7954,0;-2.4676,-1.4628,0;-3.6972,-.6965,.0001;-3.6735,.7152,0;-2.4469,1.4007,0;-1.2067,.6781,0;.0401,1.3569,0;1.2755,.6506,0;2.5477,1.3229,0;3.7563,.6028,0;4.6737,-1.3939,.0001;-2.5121,-2.5515,-.0001;-4.6494,-1.2277,.0002;-4.609,1.2726,0;-2.4382,2.4904,-.0001;.0516,2.447,-.0001;2.5782,2.4123,0;4.7084,1.133,.0001; 2.2537142 0.4428227 0.3701028 23 -536.974423864 3.8486 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 C C C C C C C C C C C C C C H H H H H H H H 13 13 13 13 13 13 13 13 13 13 13 13 13 13 1 1 1 1 1 1 1 1 0.02980 0.46699 0.01573 0.43284 0.00828 0.01542 0.01535 -0.00634 -0.00126 0.05331 -0.01808 0.08481 -0.00066 0.02329 0.00532 -0.00061 -0.00396 0.00024 0.00237 0.00449 0.00170 0.00337 11.16826 174.99408 5.89487 162.19939 3.10258 5.77684 5.75205 -2.37526 -0.47286 19.97752 -6.77657 31.78042 -0.24766 8.72562 7.92791 -0.91491 -5.89863 0.36128 3.52745 6.68984 2.53019 5.02633 3.98511 62.44224 2.10344 57.87677 1.10708 2.06132 2.05248 -0.84755 -0.16873 7.12848 -2.41805 11.34004 -0.08837 3.11352 2.82888 -0.32646 -2.10478 0.12891 1.25868 2.38710 0.90283 1.79352 3.72533 58.37174 1.96632 54.10389 1.03491 1.92695 1.91868 -0.79230 -0.15773 6.66378 -2.26042 10.60081 -0.08261 2.91055 2.64447 -0.30518 -1.96757 0.12051 1.17663 2.23149 0.84398 1.67660 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 -0.133477 -0.640225 0.132875 -0.578394 0.043673 0.018798 -0.168864 0.018901 0.033580 -0.199699 0.113268 -0.236203 -0.021858 -0.030111 0.041451 0.012387 0.018211 -0.002746 0.001794 0.010142 -0.006291 0.005505 -0.134425 1.013871 0.043727 1.099874 0.011728 -0.035716 -0.183075 0.024884 0.032904 -0.088972 0.104188 -0.018417 -0.010282 0.080968 -0.023518 0.000484 -0.013349 0.006775 0.003159 -0.001250 0.014025 0.004954 0.267902 -0.373645 -0.176602 -0.521481 -0.055401 0.016918 0.351939 -0.043785 -0.066484 0.288671 -0.217456 0.254620 0.032140 -0.050857 -0.017933 -0.012871 -0.004861 -0.004029 -0.004953 -0.008892 -0.007734 -0.010459 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 0.057292 0.002531 -0.005379 0.010142 -0.059111 -0.000058 -0.001182 -0.004831 -0.017854 -0.013112 -0.011784 0.009249 0.015592 0.019564 -0.014888 0.002190 0.018011 -0.004854 -0.008266 -0.002207 0.006975 0.011115 -0.000044 0.000019 0.000014 0.000005 -0.000012 -0.000014 0.000068 -0.000006 -0.000002 -0.000002 0.000000 -0.000002 0.000003 0.000002 0.000007 -0.000000 -0.000007 0.000001 -0.000000 0.000000 0.000000 0.000001 0.000011 -0.000004 0.000005 0.000070 -0.000002 -0.000009 0.000059 -0.000012 -0.000011 0.000000 -0.000015 -0.000008 -0.000005 -0.000004 -0.000002 0.000002 -0.000003 -0.000001 0.000000 0.000001 0.000000 0.000000 PT29091.200S 2020-01-21T19:49:32.000 -10.75406 -10.73637 -10.73390 -10.72900 -10.72408 -10.71319 -10.71064 -10.70928 -10.70774 -10.70738 -10.70576 -10.70491 -10.68697 -10.68172 -1.40534 -1.36604 -1.31325 -1.30116 -1.26103 -1.25600 -1.20696 -1.16222 -1.12638 -1.09591 -1.08683 -1.04683 -1.02467 -0.99473 -0.96565 -0.95924 -0.95150 -0.92778 -0.92417 -0.91601 -0.90804 -0.88834 -0.87022 -0.86769 -0.85176 -0.84312 -0.81354 -0.80429 -0.77288 -0.76420 -0.75132 -0.74010 -0.66319 -0.58193 -0.53148 -0.50252 -0.47470 -0.44546 -0.37991 -0.36426 -0.35958 -0.35038 -0.33833 -0.32761 -0.32679 -0.31558 -0.31397 -0.31266 -0.30648 -0.29913 -0.28849 -0.28482 -0.28405 -0.27994 -0.26295 -0.26005 -0.25931 -0.25355 -0.24881 -0.24293 -0.24275 -0.23672 -0.22875 -0.22570 -0.22322 -0.22141 -0.21550 -0.21261 -0.20882 -0.20766 -0.20082 -0.19866 -0.19611 -0.19424 -0.19112 -0.17859 -0.17731 -0.16704 -0.16485 -0.15952 -0.15284 -0.15171 -0.15036 -0.14881 -0.14641 -0.14267 -0.13854 -0.13751 -0.13443 -0.12970 -0.12737 -0.12223 -0.11870 -0.11158 -0.10867 -0.10021 -0.09998 -0.08824 -0.08603 -0.08463 -0.08371 -0.07675 -0.07219 -0.06815 -0.05973 -0.05664 -0.05653 -0.05319 -0.04203 -0.03673 -0.03178 -0.02307 -0.02088 -0.01701 -0.01641 -0.01453 -0.00706 -0.00504 -0.00498 0.00255 0.00733 0.01474 0.02457 0.02799 0.02926 0.03426 0.03875 0.03914 0.04080 0.04168 0.04704 0.05319 0.05721 0.05832 0.06303 0.06889 0.07167 0.07633 0.07919 0.08020 0.08447 0.08947 0.09305 0.10229 0.10790 0.11393 0.12065 0.12340 0.13122 0.13325 0.13730 0.14150 0.14408 0.15512 0.15777 0.16305 0.17681 0.17944 0.18154 0.18843 0.19034 0.19938 0.19946 0.21198 0.21523 0.22277 0.22351 0.22516 0.23368 0.24034 0.24295 0.24928 0.26124 0.26263 0.27092 0.27361 0.28024 0.28438 0.28519 0.28844 0.29205 0.29459 0.29938 0.30921 0.31200 0.31225 0.32249 0.32763 0.33111 0.33450 0.34860 0.35100 0.35378 0.35722 0.36703 0.37144 0.37631 0.37890 0.38321 0.39756 0.40642 0.41400 0.41921 0.43697 0.44336 0.45287 0.46081 0.46362 0.46955 0.47648 0.47739 0.48892 0.49863 0.51669 0.51956 0.52580 0.53770 0.54016 0.55426 0.56051 0.57080 0.57369 0.57953 0.58387 0.60172 0.60939 0.62207 0.62939 0.64021 0.64526 0.65435 0.66887 0.67681 0.68231 0.69010 0.70526 0.71772 0.72271 0.72345 0.74575 0.75444 0.78446 0.79280 0.79678 0.80813 0.81779 0.83605 0.83795 0.84145 0.84644 0.85886 0.86441 0.87818 0.88501 0.88714 0.89964 0.89969 0.90749 0.91452 0.92029 0.92486 0.93680 0.94558 0.95551 0.96154 0.96575 0.98089 0.98221 0.99349 1.00537 1.01617 1.02146 1.03000 1.03397 1.04062 1.04976 1.05247 1.05920 1.06917 1.07144 1.07429 1.07876 1.10458 1.11163 1.11341 1.12532 1.13129 1.15087 1.15181 1.16400 1.17143 1.18819 1.19773 1.20171 1.21846 1.23300 1.24168 1.24342 1.26343 1.27198 1.28399 1.29228 1.31211 1.32224 1.33276 1.33948 1.34730 1.38372 1.39702 1.40645 1.42846 1.44888 1.45599 1.47835 1.48271 1.50471 1.51206 1.51214 1.52560 1.53313 1.54029 1.54373 1.55474 1.56889 1.57029 1.59669 1.59909 1.59969 1.61582 1.62595 1.62640 1.66515 1.69555 1.70929 1.71928 1.73635 1.76393 1.78357 1.78879 1.81071 1.82378 1.84199 1.84461 1.85368 1.85674 1.88394 1.88714 1.89939 1.89997 1.91393 1.93889 1.95049 2.00320 2.02419 2.07622 2.07689 2.08194 2.08879 2.10604 2.11296 2.11662 2.13072 2.13784 2.14742 2.16161 2.18096 2.18674 2.20377 2.20832 2.21588 2.23400 2.24404 2.26436 2.27918 2.28628 2.28752 2.28795 2.29816 2.30355 2.31462 2.33654 2.34647 2.34863 2.35641 2.35790 2.37763 2.38521 2.38703 2.40689 2.40998 2.41095 2.42144 2.45738 2.45750 2.46349 2.46894 2.48742 2.48994 2.49456 2.49773 2.49784 2.51170 2.53386 2.53915 2.54286 2.54592 2.55551 2.56317 2.57397 2.58311 2.58391 2.58703 2.60794 2.61099 2.61894 2.62945 2.63586 2.64220 2.65515 2.66373 2.67578 2.68402 2.68871 2.70345 2.73294 2.73931 2.77423 2.79398 2.79750 2.81108 2.81740 2.82719 2.83433 2.84769 2.85674 2.86884 2.88122 2.88292 2.88871 2.90168 2.91765 2.91791 2.93019 2.93368 2.94845 2.95536 2.98157 2.98711 3.04011 3.04047 3.06113 3.07532 3.07639 3.09570 3.10011 3.13762 3.15201 3.18527 3.20375 3.20742 3.21433 3.22693 3.24888 3.25771 3.27104 3.27935 3.29600 3.29675 3.30440 3.31631 3.32432 3.33807 3.35317 3.36982 3.37150 3.38907 3.40372 3.40999 3.43153 3.43766 3.46718 3.49631 3.52764 3.53858 3.54855 3.55622 3.62576 3.65100 3.66982 3.68065 3.68757 3.71078 3.72209 3.74846 3.76593 3.78322 3.79734 3.81191 3.81828 3.83000 3.83958 3.84097 3.86796 3.89639 3.90359 3.93780 3.94132 3.94558 3.95481 3.99233 4.00672 4.02081 4.03815 4.04146 4.05120 4.05996 4.07601 4.09325 4.11314 4.12939 4.15787 4.18328 4.19940 4.20664 4.22721 4.24254 4.25897 4.27217 4.31255 4.31816 4.34169 4.34501 4.35443 4.44221 4.46685 4.47609 4.50748 4.52659 4.57244 4.61066 4.67182 4.68052 4.80655 4.85254 4.97612 5.06976 5.13021 5.19386 5.22149 5.29159 5.30677 5.33643 5.40658 5.44561 5.46164 5.74264 5.77690 5.81204 5.85910 6.14777 6.53728 6.55251 6.57692 6.59764 6.62901 6.65963 6.67576 6.68983 6.69298 6.71455 6.72046 6.72779 6.72942 6.74754 6.78844 6.80388 6.80586 6.82766 6.85146 6.87313 6.90470 6.91506 6.94147 6.97287 6.97635 6.98559 6.99230 6.99989 7.00360 7.00930 7.04897 7.07133 7.09610 7.10940 7.12367 7.13563 7.14409 7.15260 7.17913 7.26238 7.26517 7.30754 7.31029 7.32513 7.33969 7.34089 7.38220 7.43692 7.46201 7.48120 7.48746 7.49522 7.52885 7.58872 7.59716 7.62813 7.66586 7.69303 7.70135 7.72363 7.80633 7.82041 7.85579 7.89283 7.92516 7.93616 7.94307 7.94504 7.95718 7.96148 7.97315 7.98053 8.00449 8.00800 8.01583 8.06935 8.07522 8.14699 8.18888 8.22645 8.25101 8.37747 8.39484 8.64083 8.78740 8.86468 8.96977 9.02436 9.14553 9.18982 9.19881 9.20753 9.29920 9.34329 23.92999 24.38598 24.47381 24.53510 24.76860 24.92884 24.95447 25.05219 25.10537 25.13508 25.19748 25.22747 25.36703 25.41484 -10.73630 -10.72776 -10.72675 -10.72381 -10.71695 -10.71000 -10.70972 -10.70895 -10.70757 -10.70688 -10.70555 -10.70144 -10.68625 -10.68232 -1.39282 -1.35475 -1.30289 -1.28951 -1.25296 -1.24202 -1.19592 -1.15003 -1.11852 -1.08729 -1.06737 -1.03784 -1.01624 -0.98630 -0.95860 -0.95307 -0.94444 -0.92419 -0.91809 -0.90129 -0.90090 -0.87362 -0.86244 -0.84998 -0.84557 -0.83821 -0.80178 -0.78264 -0.75120 -0.69393 -0.64879 -0.59131 -0.57087 -0.56458 -0.50901 -0.48927 -0.45681 -0.43040 -0.37818 -0.35911 -0.34926 -0.34794 -0.33533 -0.32507 -0.31701 -0.31279 -0.31163 -0.30715 -0.30332 -0.29455 -0.28398 -0.28279 -0.27775 -0.27562 -0.25994 -0.25339 -0.25313 -0.25204 -0.24322 -0.24178 -0.23885 -0.23450 -0.22498 -0.22352 -0.21897 -0.21852 -0.21141 -0.20910 -0.20539 -0.20158 -0.19726 -0.19602 -0.19394 -0.18885 -0.18789 -0.17470 -0.17278 -0.16486 -0.16199 -0.15681 -0.15018 -0.14989 -0.14586 -0.14476 -0.14326 -0.14185 -0.13551 -0.13377 -0.13284 -0.12760 -0.12373 -0.11891 -0.11573 -0.10886 -0.10473 -0.09855 -0.09704 -0.08390 -0.08377 -0.08179 -0.08158 -0.07353 -0.06769 -0.06482 -0.05702 -0.05414 -0.05364 -0.04797 -0.03689 -0.03411 -0.02937 -0.02080 -0.01732 -0.01513 -0.01433 -0.01076 -0.00371 -0.00289 -0.00197 0.00543 0.01000 0.01846 0.02890 0.03159 0.03374 0.03597 0.04071 0.04191 0.04370 0.04563 0.04964 0.05697 0.05999 0.06556 0.06582 0.07150 0.07490 0.08112 0.08588 0.08599 0.08994 0.09463 0.10016 0.11208 0.11308 0.12263 0.12644 0.13495 0.13557 0.13564 0.14084 0.14671 0.14999 0.16337 0.16687 0.16689 0.17935 0.18156 0.18562 0.19224 0.19709 0.20059 0.20594 0.21846 0.22065 0.22591 0.22776 0.22917 0.23597 0.24698 0.24769 0.25292 0.26540 0.26767 0.27570 0.27766 0.28480 0.28695 0.28916 0.28979 0.29489 0.29945 0.30421 0.31272 0.31399 0.31755 0.32560 0.33144 0.33544 0.33896 0.34932 0.35512 0.35622 0.36171 0.36865 0.37343 0.38089 0.38226 0.38854 0.40139 0.40835 0.42028 0.42339 0.44014 0.44639 0.45817 0.46570 0.46694 0.47262 0.47832 0.48234 0.49616 0.50164 0.51867 0.52283 0.52774 0.54032 0.54241 0.55792 0.56315 0.57352 0.57738 0.58424 0.58618 0.60468 0.61204 0.62473 0.63092 0.64511 0.65078 0.66092 0.67407 0.68294 0.68692 0.69640 0.70980 0.72127 0.72684 0.72878 0.74949 0.75958 0.79214 0.79594 0.80128 0.81389 0.82228 0.84125 0.84454 0.84513 0.84963 0.86497 0.86967 0.88094 0.88832 0.89092 0.90427 0.90547 0.91549 0.91799 0.92526 0.92902 0.94706 0.95032 0.96297 0.96633 0.97578 0.98756 0.98832 0.99993 1.01013 1.02632 1.02665 1.03617 1.04235 1.04512 1.05590 1.06173 1.06532 1.07284 1.07522 1.08354 1.08498 1.10767 1.12217 1.13105 1.13143 1.13908 1.15670 1.16005 1.18100 1.18161 1.20290 1.21085 1.21441 1.22851 1.24022 1.24996 1.25339 1.27324 1.27740 1.28906 1.29864 1.31893 1.33490 1.34668 1.34847 1.35543 1.38876 1.40698 1.41889 1.43677 1.45948 1.46242 1.48554 1.49325 1.50878 1.51760 1.52298 1.53168 1.54260 1.54551 1.54837 1.56079 1.57642 1.57678 1.60098 1.60542 1.61129 1.62290 1.63355 1.63504 1.67166 1.70865 1.71463 1.72371 1.74457 1.77098 1.79150 1.79559 1.81607 1.83092 1.85093 1.85390 1.86128 1.86902 1.88873 1.89602 1.90977 1.91039 1.92713 1.94768 1.96486 2.01208 2.03522 2.08460 2.08877 2.09119 2.09579 2.11171 2.12473 2.12724 2.13852 2.14362 2.15513 2.16792 2.18553 2.20131 2.21812 2.22563 2.23175 2.23974 2.25316 2.27451 2.28801 2.29207 2.29404 2.29514 2.30895 2.31140 2.32277 2.34186 2.35284 2.35529 2.36088 2.37218 2.39115 2.39268 2.39750 2.41753 2.41813 2.42505 2.43479 2.46392 2.46531 2.47434 2.48574 2.49372 2.49834 2.50233 2.50568 2.50908 2.51771 2.53968 2.54744 2.55685 2.55719 2.56089 2.57448 2.58483 2.58931 2.59173 2.59670 2.61364 2.61585 2.63093 2.63736 2.64091 2.65046 2.66209 2.66924 2.68347 2.69692 2.70041 2.71464 2.74696 2.75235 2.78166 2.80160 2.80912 2.82279 2.82440 2.83932 2.84282 2.85638 2.86113 2.88017 2.88947 2.89095 2.89532 2.90939 2.92547 2.92594 2.93699 2.94373 2.95960 2.96380 2.99013 2.99833 3.04405 3.05127 3.06470 3.08111 3.08635 3.10180 3.10660 3.14487 3.15853 3.19251 3.20765 3.21839 3.22160 3.23212 3.25914 3.26755 3.27938 3.28541 3.29965 3.30301 3.31504 3.32206 3.32804 3.34290 3.36009 3.37568 3.38051 3.39390 3.41056 3.41962 3.43508 3.44290 3.47530 3.49966 3.53692 3.54206 3.55701 3.56101 3.62923 3.65888 3.67491 3.69000 3.69013 3.71204 3.73148 3.75712 3.77260 3.79719 3.81429 3.81946 3.82535 3.83569 3.84643 3.85139 3.87515 3.90530 3.90913 3.94119 3.94941 3.94966 3.95983 3.99799 4.01313 4.02549 4.04196 4.04515 4.05781 4.06371 4.07971 4.09734 4.11633 4.13334 4.16495 4.18813 4.20281 4.21462 4.23347 4.24834 4.26734 4.27615 4.31786 4.32536 4.34695 4.35341 4.36213 4.44726 4.47001 4.48097 4.51454 4.53100 4.57984 4.61749 4.67798 4.68461 4.81313 4.85595 4.98569 5.07539 5.13330 5.19898 5.22805 5.29519 5.31300 5.33810 5.41010 5.44898 5.46612 5.74673 5.78385 5.82621 5.86502 6.15404 6.57402 6.57667 6.60873 6.63680 6.64811 6.67445 6.69722 6.70268 6.71863 6.72685 6.73239 6.74497 6.75862 6.77164 6.80969 6.82401 6.82565 6.83196 6.85237 6.88917 6.92176 6.92365 6.95413 6.98502 6.98849 6.99373 6.99871 7.00713 7.00719 7.01194 7.05602 7.07985 7.09286 7.11821 7.13252 7.14764 7.14988 7.16024 7.20694 7.26900 7.28066 7.31762 7.32027 7.33414 7.34794 7.34804 7.38520 7.44098 7.46833 7.49142 7.49984 7.50660 7.54970 7.59580 7.60524 7.63433 7.67417 7.69471 7.70831 7.72782 7.81128 7.82742 7.85842 7.90166 7.92872 7.93706 7.94378 7.94698 7.95784 7.96366 7.97294 7.99083 8.00660 8.01560 8.01848 8.07257 8.07837 8.14805 8.19050 8.22911 8.25163 8.37929 8.39583 8.64849 8.79313 8.87197 8.97021 9.02684 9.14717 9.19090 9.20080 9.20748 9.30123 9.34327 23.94163 24.39549 24.48143 24.54239 24.77659 24.93110 24.95835 25.05603 25.10775 25.13953 25.19724 25.22892 25.36918 25.41614 4-A. -0.7042 0.71 -1.0E-4 0.71 0.7042 1.0E-4 -1.0E-4 0.0 1.0 -0.1912 -0.0767 0.2679 -25.663 -10.287 35.95 -9.157 -3.671 12.828 -8.56 -3.431 11.992 1 C 13 1.0 -0.0015 -1.0E-4 1.0E-4 0.0 1.0 0.0015 1.0 -0.0 -0.6402 -0.3736 1.0139 -85.913 -50.14 136.052 -30.656 -17.891 48.547 -28.657 -16.725 45.382 2 C 13 -0.0 -0.0 1.0 0.06 0.9982 0.0 0.9982 -0.06 0.0 -0.1766 0.0434 0.1332 -23.698 5.824 17.874 -8.456 2.078 6.378 -7.905 1.943 5.962 3 C 13 1.0 -0.006 -1.0E-4 1.0E-4 -0.0 1.0 0.006 1.0 0.0 -0.5785 -0.5215 1.0999 -77.623 -69.978 147.601 -27.698 -24.97 52.668 -25.892 -23.342 49.234 4 C 13 3.0E-4 3.0E-4 1.0 0.6079 0.794 -4.0E-4 0.794 -0.6079 -1.0E-4 -0.0554 -0.0335 0.0889 -7.434 -4.499 11.934 -2.653 -1.606 4.258 -2.48 -1.501 3.981 5 C 13 0.0011 1.0 2.0E-4 0.0075 -2.0E-4 1.0 1.0 -0.0011 -0.0075 -0.0357 0.0169 0.0188 -4.793 2.27 2.522 -1.71 0.81 0.9 -1.599 0.757 0.841 6 C 13 0.0823 0.9966 -1.0E-4 0.9966 -0.0823 -1.0E-4 1.0E-4 1.0E-4 1.0 -0.1832 -0.1688 0.3519 -24.58 -22.647 47.227 -8.771 -8.081 16.852 -8.199 -7.554 15.753 7 C 13 1.0E-4 2.0E-4 1.0 0.8736 0.4866 -2.0E-4 -0.4866 0.8736 -1.0E-4 -0.0438 0.0162 0.0276 -5.875 2.175 3.7 -2.097 0.776 1.32 -1.96 0.726 1.234 8 C 13 0.0 1.0E-4 1.0 0.7004 0.7138 -1.0E-4 0.7138 -0.7004 1.0E-4 -0.0665 0.0154 0.0511 -8.922 2.065 6.857 -3.183 0.737 2.447 -2.976 0.689 2.287 9 C 13 0.9932 0.116 0.0 -0.116 0.9932 -0.0 -0.0 0.0 1.0 -0.2012 -0.0874 0.2887 -27.003 -11.734 38.737 -9.635 -4.187 13.822 -9.007 -3.914 12.921 10 C 13 0.0 0.0 1.0 0.5659 0.8245 -0.0 0.8245 -0.5659 0.0 -0.2175 0.0961 0.1214 -29.181 12.896 16.285 -10.412 4.602 5.811 -9.734 4.302 5.432 11 C 13 0.9991 -0.0424 0.0 0.0424 0.9991 0.0 -0.0 -0.0 1.0 -0.2366 -0.018 0.2546 -31.749 -2.419 34.168 -11.329 -0.863 12.192 -10.59 -0.807 11.397 12 C 13 0.821 -0.571 -1.0E-4 0.571 0.821 1.0E-4 0.0 -1.0E-4 1.0 -0.0327 6.0E-4 0.0321 -4.388 0.075 4.313 -1.566 0.027 1.539 -1.464 0.025 1.439 13 C 13 -2.0E-4 1.0E-4 1.0 0.9857 -0.1685 2.0E-4 0.1685 0.9857 -0.0 -0.0509 -0.0335 0.0843 -6.825 -4.489 11.314 -2.435 -1.602 4.037 -2.276 -1.498 3.774 14 C 13 0.2132 0.977 1.0E-4 -1.0E-4 -1.0E-4 1.0 0.977 -0.2132 1.0E-4 -0.0268 -0.0179 0.0447 -14.282 -9.568 23.85 -5.096 -3.414 8.51 -4.764 -3.192 7.955 15 H 1 0.0 -2.0E-4 1.0 -0.1754 0.9845 2.0E-4 0.9845 0.1754 0.0 -0.0129 1.0E-4 0.0128 -6.867 0.05 6.817 -2.45 0.018 2.433 -2.291 0.017 2.274 16 H 1 -0.4129 0.9108 -0.0 2.0E-4 1.0E-4 1.0 0.9108 0.4129 -2.0E-4 -0.0215 -0.0049 0.0264 -11.48 -2.594 14.073 -4.096 -0.925 5.022 -3.829 -0.865 4.694 17 H 1 0.922 0.3872 -6.0E-4 5.0E-4 3.0E-4 1.0 -0.3872 0.922 -1.0E-4 -0.0048 -0.004 0.0088 -2.553 -2.15 4.702 -0.911 -0.767 1.678 -0.852 -0.717 1.569 18 H 1 0.7356 0.6774 -2.0E-4 1.0E-4 1.0E-4 1.0 -0.6774 0.7356 0.0 -0.0058 -0.005 0.0108 -3.104 -2.643 5.747 -1.108 -0.943 2.051 -1.035 -0.881 1.917 19 H 1 -0.0 -1.0E-4 1.0 0.1838 0.983 1.0E-4 0.983 -0.1838 -0.0 -0.0089 -0.0017 0.0106 -4.744 -0.887 5.631 -1.693 -0.317 2.009 -1.583 -0.296 1.878 20 H 1 0.9551 -0.2964 -2.0E-4 2.0E-4 -1.0E-4 1.0 0.2964 0.9551 0.0 -0.0085 -0.0077 0.0162 -4.511 -4.126 8.638 -1.61 -1.472 3.082 -1.505 -1.376 2.881 21 H 1 -0.1843 1.3506 0.0001 1.3631 75.1990 -33.2415 -73.2967 2.2355 0.0002 -0.0004 85.6454 -22.7951 -62.8503 2.2355 0.0002 -0.0004 16.0156 22.5266 0.0001 -11.8391 -9.5869 0.0088 -0.4020 0.2262 -0.0011 0.0015 -370.8229 -454.2746 -73.2789 -7.5655 0.0012 34.8176 -0.0025 0.0000 -0.0003 -278.7318 -501.1973 -120.0954 -0.0082 0.0037 0.8377 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-BELVIS26 ZGHIDA 2020-01-21T00:00:00.000 0 anthracene-H2.q3.m4 3 4 Version=EM64L-G16RevB.01 State=4-A HF=-536.9744239 S2=3.848597 S2-1=0. S2A=3.752676 RMSD=4.451e-09 Dipole=-0.3380607,0.4162921,-0.0022554 Quadrupole=40.4277921,6.29913,-46.7269221,36.559421,0.2060686,-0.0153656 PG=C01 [X(C14H8)] 0 1.7421315662 1.7569641607 -0.0021757314 0 0.9926751742 0.5476130639 -0.0015203152 0 -0.3819982835 0.4548018446 -0.0060796244 0 -1.1361513203 -0.7194235741 -0.00559568 0 -2.5307691154 -0.8179364718 -0.0101498764 0 -3.2310173615 -2.0250015438 -0.0093099925 0 -4.6798274412 -2.0092670935 -0.0143722023 0 -5.3930578436 -0.7908559489 -0.0202128502 0 -4.7012884162 0.4322212697 -0.0211052218 0 -3.266206429 0.4593437041 -0.0161416837 0 -2.5537655104 1.687160297 -0.0169599428 0 -1.1311933098 1.7257687225 -0.0121003535 0 -0.393565862 2.9612041909 -0.0128300957 0 1.0131736398 2.9739953012 -0.0079450427 0 2.8345511357 1.7448923316 0.0018238401 0 -2.7033371959 -2.9783261824 -0.0049979359 0 -5.2172740816 -2.9579431811 -0.0135306557 0 -6.4820384027 -0.8007211034 -0.0239668273 0 -5.2601748377 1.3677344344 -0.0256504578 0 -3.1103210516 2.6245415135 -0.0215069612 0 -0.9336571827 3.9078163355 -0.0172707144 0 1.5511418291 3.9217696695 -0.0085596749