Gaussian 16 GINC-JIGEN STEFANO First fragment in Amendola Capsule ES64L-G16RevC.02 22-Oct-2022 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 146 146 (6D, 7F) 6-31+G(d) RB3LYP 6-31+G(d) FOpt #p b3lyp/6-31+G(d) Nosymm Opt SCRF=(SMD,solvent=chloroform) freq geom=checkpoint 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 904.7598000000012 AuxInfo=1/0/N:6,7,48,81,49,80,15,121,57,89,115,127,13,122,55,87,116,128,16,119,58,90,113,125,5,8,47,82,50,79,12,118,54,86,112,124,9,10,51,84,52,83,40,108,37,34,109,110,11,120,53,85,114,126,14,117,56,88,111,123,4,3,46,77,45,78,1,2,43,76,44,75,33,107/E:(1,2,3,4,5,6)(7,8,9,10,11,12)(13,14,15,16,17,18)(19,20,21,22,23,24)(25,26,27,28,29,30)(31,32,33,34,35,36)(37,38,39,40,41,42)(43,44,45,46,47,48)(49,50,51,52,53,54)(55,56,57,58,59,60)(61,62,63,64,65,66)(67,68,69,70,71,72)(73,74)/CRV:7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,31.3,32.3,33.3,34.3,35.3,36.3,37.3,38.3,39.3,40.3,41.3,42.3,49.3,50.3,51.3,52.3,53.3,54.3,55.3,56.3,57.3,58.3,59.3,60.3,67.2,68.2,69.2,70.2,71.2,72.2/rA:146N2N2CCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHNCHHCHHCHHN2N2CCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHN2N2CCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHNCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;s2;s1s3;s4;s5;s6;s3s7;s1;s2;s9;s11;s11;s12;s13;s14s15;s5;s4;s3;s6;s6;s7;s7;s8;s8;s5;s9;s10;s12;s13;s15;s16;;s33;s34;s34;s33;s37;s37;s14s33;s40;s40;;;s44;s43s45;s46;s47;s48;s45s49;s43;s44;s51;s53;s53;s37s54;s55;s56s57;s47;s46;s45;s48;s48;s49;s49;s50;s50;s47;s51;s52;s54;s55;s57;s58;;;s76;s75s77;s78;s79;s80;s77s81;s75;s76;s84;s85;s85;s34s86;s87;s88s89;s79;s78;s77;s80;s80;s81;s81;s82;s82;s79;s83;s84;s86;s87;s89;s90;;s107;s107;s107;s109;s111;s111;s52s112;s113;s114s115;s108;s117;s117;s10s118;s119;s120s121;s110;s123;s123;s83s124;s125;s126s127;s108;s108;s109;s109;s110;s110;s112;s113;s115;s116;s118;s119;s121;s122;s124;s125;s127;s128;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /opt/share/sw/Gaussian/g16/l1.exe "/tmp/Gau-31778.inp" -scrdir="/tmp/" chk=CTAC_B3LYP_6-31plGd_chloroformSMD_ener_opt_freq.chk nproc=16 mem=64GB #p b3lyp/6-31+G(d) Nosymm Opt SCRF=(SMD,solvent=chloroform) freq geom= 1/18=20,19=15,26=3,29=2,38=1/1,3 2/9=110,12=2,15=1,40=1/2 3/5=1,6=6,7=11,11=2,14=-4,25=1,30=1,70=32201,71=1,72=7,74=-5/1,2,3 4//1 5/5=2,38=5,53=7/2 6/7=2,8=2,9=2,10=2,28=1/1 7/30=1/1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=1,6=6,7=11,11=2,14=-2,25=1,30=1,70=32205,71=1,72=7,74=-5/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=7/2 7/30=1/1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 First fragment in Amendola Capsule Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14 12 1 1 12 1 1 12 1 1 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 0 1 1 0 1 1 0 1 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 4.5500000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /opt/share/sw/Gaussian/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 R91 R92 R93 R94 R95 R96 R97 R98 R99 R100 R101 R102 R103 R104 R105 R106 R107 R108 R109 R110 R111 R112 R113 R114 R115 R116 R117 R118 R119 R120 R121 R122 R123 R124 R125 R126 R127 R128 R129 R130 R131 R132 R133 R134 R135 R136 R137 R138 R139 R140 R141 R142 R143 R144 R145 R146 R147 R148 R149 R150 R151 R152 R153 R154 R155 R156 1 1 2 2 3 3 3 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 33 33 33 34 34 34 37 37 37 40 40 43 43 44 44 45 45 45 46 46 47 47 47 48 48 48 49 49 49 50 50 51 51 52 52 53 53 54 54 55 55 56 57 57 58 75 75 76 76 77 77 77 78 78 79 79 79 80 80 80 81 81 81 82 82 83 83 84 84 85 85 86 86 87 87 88 89 89 90 107 107 107 108 108 108 109 109 109 110 110 110 111 111 112 112 113 113 114 115 115 116 117 117 118 118 119 119 120 121 121 122 123 123 124 124 125 125 126 127 127 128 4 9 3 10 4 8 19 5 18 6 17 26 7 20 21 8 22 23 24 25 11 27 28 120 12 13 14 29 15 30 16 40 16 31 32 34 37 40 35 36 88 38 39 56 41 42 46 51 45 52 46 50 61 47 60 48 59 68 49 62 63 50 64 65 66 67 53 69 70 114 54 55 56 71 57 72 58 58 73 74 78 83 77 84 78 82 93 79 92 80 91 100 81 94 95 82 96 97 98 99 101 126 85 102 86 87 88 103 89 104 90 90 105 106 108 109 110 117 129 130 111 131 132 123 133 134 112 113 114 135 115 136 116 116 137 138 118 119 120 139 121 140 122 122 141 142 124 125 126 143 127 144 128 128 145 146 1.4586 1.2739 1.4536 1.2742 1.5491 1.5418 1.1033 1.539 1.1028 1.5324 1.0969 1.0944 1.534 1.0977 1.0974 1.5341 1.0974 1.0971 1.0962 1.0968 1.4709 1.1026 1.1011 1.4721 1.397 1.4065 1.3994 1.0848 1.3895 1.0852 1.3957 1.5161 1.4025 1.0866 1.0874 1.4599 1.4599 1.46 1.1042 1.096 1.5161 1.1042 1.096 1.5162 1.1042 1.096 1.4587 1.2738 1.4535 1.2742 1.5488 1.5419 1.1033 1.5388 1.1027 1.5324 1.0969 1.0943 1.5342 1.0977 1.0974 1.5342 1.0974 1.0971 1.0962 1.0968 1.4707 1.1026 1.1012 1.4721 1.3968 1.4064 1.3992 1.0844 1.3897 1.0852 1.3957 1.4026 1.0866 1.0874 1.4536 1.2742 1.4584 1.2738 1.5492 1.5391 1.1028 1.542 1.1032 1.534 1.0968 1.0962 1.5341 1.0971 1.0973 1.5324 1.0974 1.0977 1.0945 1.0969 1.1012 1.4721 1.4709 1.1025 1.397 1.4064 1.3995 1.0846 1.3895 1.0852 1.3957 1.4025 1.0866 1.0874 1.4637 1.4635 1.4635 1.5132 1.0939 1.1044 1.5133 1.094 1.1043 1.5133 1.094 1.1044 1.3957 1.4002 1.3997 1.0855 1.398 1.0874 1.4043 1.3927 1.0864 1.0871 1.3957 1.4002 1.3997 1.0854 1.3979 1.0874 1.4043 1.3927 1.0863 1.0871 1.3956 1.4002 1.3996 1.0854 1.398 1.0874 1.4043 1.3928 1.0863 1.0871 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 A190 A191 A192 A193 A194 A195 A196 A197 A198 A199 A200 A201 A202 A203 A204 A205 A206 A207 A208 A209 A210 A211 A212 A213 A214 A215 A216 A217 A218 A219 A220 A221 A222 A223 A224 A225 A226 A227 A228 A229 A230 A231 A232 A233 A234 A235 A236 A237 A238 A239 A240 A241 A242 A243 A244 A245 A246 A247 A248 A249 A250 A251 A252 A253 A254 A255 A256 A257 A258 A259 A260 A261 A262 A263 A264 A265 A266 A267 A268 A269 A270 A271 A272 A273 A274 A275 A276 A277 A278 A279 A280 A281 A282 4 3 2 2 2 4 4 8 1 1 1 3 3 5 4 4 4 6 6 17 5 5 5 7 7 20 6 6 6 8 8 22 3 3 3 7 7 24 1 1 11 2 2 28 9 9 12 11 11 14 11 11 15 12 12 16 13 13 16 14 14 15 34 34 37 33 33 33 35 35 36 33 33 33 38 38 39 14 14 14 33 33 41 46 45 44 44 44 46 46 50 43 43 43 45 45 47 46 46 46 48 48 59 47 47 47 49 49 62 48 48 48 50 50 64 45 45 45 49 49 66 43 43 53 44 44 70 51 51 54 53 53 56 53 53 57 37 37 54 55 55 58 56 56 57 78 77 76 76 76 78 78 82 75 75 75 77 77 79 78 78 78 80 80 91 79 79 79 81 81 94 80 80 80 82 82 96 77 77 77 81 81 98 75 75 101 76 76 85 84 84 86 85 85 88 85 85 89 34 34 86 87 87 90 88 88 89 108 108 109 107 107 107 117 117 129 107 107 107 111 111 131 107 107 107 123 123 133 109 109 112 111 111 114 111 111 115 52 52 112 113 113 116 114 114 115 108 108 118 117 117 120 117 117 121 10 10 118 119 119 122 120 120 121 110 110 124 123 123 126 123 123 127 83 83 124 125 125 128 126 126 127 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 33 33 33 34 34 34 34 34 34 37 37 37 37 37 37 40 40 40 40 40 40 43 44 45 45 45 45 45 45 46 46 46 46 46 46 47 47 47 47 47 47 48 48 48 48 48 48 49 49 49 49 49 49 50 50 50 50 50 50 51 51 51 52 52 52 53 53 53 54 54 54 55 55 55 56 56 56 57 57 57 58 58 58 75 76 77 77 77 77 77 77 78 78 78 78 78 78 79 79 79 79 79 79 80 80 80 80 80 80 81 81 81 81 81 81 82 82 82 82 82 82 83 83 83 84 84 84 85 85 85 86 86 86 87 87 87 88 88 88 89 89 89 90 90 90 107 107 107 108 108 108 108 108 108 109 109 109 109 109 109 110 110 110 110 110 110 111 111 111 112 112 112 113 113 113 114 114 114 115 115 115 116 116 116 117 117 117 118 118 118 119 119 119 120 120 120 121 121 121 122 122 122 123 123 123 124 124 124 125 125 125 126 126 126 127 127 127 128 128 128 9 10 4 8 19 8 19 19 3 5 18 5 18 18 6 17 26 17 26 26 7 20 21 20 21 21 8 22 23 22 23 23 7 24 25 24 25 25 11 27 27 28 120 120 12 13 13 14 29 29 15 30 30 16 40 40 16 31 31 15 32 32 37 40 40 35 36 88 36 88 88 38 39 56 39 56 56 33 41 42 41 42 42 51 52 46 50 61 50 61 61 45 47 60 47 60 60 48 59 68 59 68 68 49 62 63 62 63 63 50 64 65 64 65 65 49 66 67 66 67 67 53 69 69 70 114 114 54 55 55 56 71 71 57 72 72 54 58 58 58 73 73 57 74 74 83 84 78 82 93 82 93 93 77 79 92 79 92 92 80 91 100 91 100 100 81 94 95 94 95 95 82 96 97 96 97 97 81 98 99 98 99 99 101 126 126 85 102 102 86 87 87 88 103 103 89 104 104 86 90 90 90 105 105 89 106 106 109 110 110 117 129 130 129 130 130 111 131 132 131 132 132 123 133 134 133 134 134 112 113 113 114 135 135 115 136 136 112 116 116 116 137 137 115 138 138 118 119 119 120 139 139 121 140 140 118 122 122 122 141 141 121 142 142 124 125 125 126 143 143 127 144 144 124 128 128 128 145 145 127 146 146 117.4566 118.2796 108.7275 109.2978 111.1461 110.6878 108.1273 108.853 108.1552 110.2949 110.7358 110.9728 108.3143 108.357 112.5977 108.6154 107.4136 110.9074 109.5854 107.5355 110.8511 109.5162 109.6559 109.5696 110.2011 106.9642 111.0648 110.3168 109.1966 109.6691 109.4131 107.0905 112.4171 107.7102 108.7094 109.6866 110.7001 107.4491 123.6753 121.3487 114.9672 121.6903 122.6971 115.6014 118.3402 122.4303 119.1817 121.6326 119.4524 118.9077 119.6584 119.1569 121.1792 118.4577 118.9002 122.6285 120.5076 119.859 119.6228 120.5384 119.5865 119.8729 114.7435 114.7725 114.7772 112.7628 107.1579 110.8253 106.6542 110.2161 109.0309 112.7632 107.1606 110.7514 106.6542 110.2698 109.0504 110.7857 110.252 109.0374 112.7511 107.1543 106.6682 117.3924 118.2677 108.7678 109.271 111.1431 110.6041 108.1551 108.8976 108.1759 110.2345 110.7252 110.9429 108.3499 108.4025 112.5158 108.6218 107.4483 110.9146 109.6274 107.5308 110.8655 109.4695 109.6803 109.5636 110.2012 106.9775 111.0818 110.3044 109.1912 109.6615 109.4297 107.0817 112.4045 107.6777 108.7408 109.6806 110.6962 107.474 123.718 121.3486 114.924 121.6589 122.6883 115.6395 118.2581 122.5184 119.1755 121.6678 119.4672 118.8572 119.6383 119.1678 121.1889 118.8256 122.716 118.4448 120.5272 119.8618 119.6003 120.522 119.6041 119.8717 118.2562 117.5434 108.0786 110.2964 110.7498 110.9872 108.333 108.3857 108.813 109.2334 111.1334 110.6412 108.1638 108.855 112.3653 108.7101 107.7131 110.7091 109.7086 107.4691 111.0679 109.3608 109.6868 109.2114 110.3219 107.1017 110.8787 110.187 109.5593 109.6378 109.5209 106.9739 112.6262 107.473 108.6151 109.5688 110.8872 107.4833 121.6881 122.6132 115.6853 123.6474 121.3884 114.954 118.3487 122.4086 119.1938 121.6168 119.452 118.9254 119.66 119.1532 121.1817 118.9439 122.5809 118.4634 120.5012 119.8651 119.6235 120.5434 119.5717 119.8827 113.7092 113.696 113.6675 110.9399 107.4972 112.0833 108.5622 110.6263 106.9382 110.9488 107.5109 112.0854 108.5302 110.6417 106.9278 110.9801 107.4705 112.0879 108.5438 110.6186 106.9432 118.7531 122.217 119.0105 121.0261 120.0621 118.9111 120.5607 119.5034 119.9359 121.0573 119.6611 119.266 119.9819 119.9946 120.0216 120.1335 119.5211 120.3434 118.8287 122.1433 119.0069 121.0135 120.0886 118.897 120.5752 119.4908 119.934 121.0744 119.6369 119.2759 119.9682 120.0061 120.0236 120.1384 119.5161 120.3437 118.7856 122.2085 118.9857 121.0481 120.1109 118.8401 120.5694 119.4864 119.9442 120.9604 119.753 119.2719 119.987 119.9839 120.0274 120.1179 119.5433 120.3369 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 D340 D341 D342 D343 D344 D345 D346 D347 D348 D349 D350 D351 D352 D353 D354 D355 D356 D357 D358 D359 D360 D361 D362 D363 D364 D365 D366 D367 D368 D369 D370 D371 D372 D373 D374 D375 D376 D377 D378 D379 D380 D381 D382 D383 D384 D385 D386 D387 D388 D389 D390 D391 D392 D393 D394 D395 D396 D397 D398 D399 D400 D401 D402 D403 D404 D405 D406 D407 D408 D409 D410 D411 D412 D413 D414 D415 D416 D417 D418 D419 D420 D421 D422 D423 D424 D425 D426 D427 D428 D429 D430 D431 D432 9 9 9 4 4 10 10 10 3 3 2 2 2 8 8 8 19 19 19 2 2 2 4 4 4 19 19 19 1 1 1 3 3 3 18 18 18 4 4 4 17 17 17 26 26 26 5 5 5 20 20 20 21 21 21 6 6 6 22 22 22 23 23 23 1 1 27 27 2 2 28 28 9 9 13 13 9 9 12 12 11 11 29 29 11 11 30 30 12 12 40 40 12 12 12 16 16 16 13 13 31 31 37 37 37 40 40 40 34 34 34 40 40 40 34 34 34 37 37 37 33 33 35 35 36 36 33 33 38 38 39 39 51 51 51 46 46 52 52 52 45 45 44 44 44 50 50 50 61 61 61 44 44 44 46 46 46 61 61 61 43 43 43 45 45 45 60 60 60 46 46 46 59 59 59 68 68 68 47 47 47 62 62 62 63 63 63 48 48 48 64 64 64 65 65 65 43 43 69 69 44 44 70 70 51 51 55 55 51 51 54 54 53 53 71 71 53 53 72 72 37 37 54 54 55 55 73 73 83 83 83 78 78 84 84 84 77 77 76 76 76 82 82 82 93 93 93 76 76 76 78 78 78 93 93 93 75 75 75 77 77 77 92 92 92 78 78 78 91 91 91 100 100 100 79 79 79 94 94 94 95 95 95 80 80 80 96 96 96 97 97 97 75 75 101 101 76 76 102 102 84 84 87 87 84 84 86 86 85 85 103 103 85 85 104 104 34 34 86 86 87 87 105 105 109 109 109 110 110 110 108 108 108 110 110 110 108 108 108 109 109 109 107 107 129 129 130 130 107 107 131 131 132 132 107 107 133 133 134 134 109 109 113 113 109 109 112 112 111 111 135 135 111 111 136 136 52 52 112 112 113 113 137 137 108 108 119 119 108 108 118 118 117 117 139 139 117 117 140 140 10 10 118 118 119 119 141 141 110 110 125 125 110 110 124 124 123 123 143 143 123 123 144 144 83 83 124 124 125 125 145 145 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 14 14 15 15 15 15 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 34 34 34 34 34 34 37 37 37 37 37 37 43 43 43 43 43 44 44 44 44 44 45 45 45 45 45 45 45 45 45 45 45 45 45 45 45 45 45 45 46 46 46 46 46 46 46 46 46 47 47 47 47 47 47 47 47 47 48 48 48 48 48 48 48 48 48 49 49 49 49 49 49 49 49 49 51 51 51 51 52 52 52 52 53 53 53 53 53 53 53 53 54 54 54 54 55 55 55 55 56 56 56 56 57 57 57 57 75 75 75 75 75 76 76 76 76 76 77 77 77 77 77 77 77 77 77 77 77 77 77 77 77 77 77 77 78 78 78 78 78 78 78 78 78 79 79 79 79 79 79 79 79 79 80 80 80 80 80 80 80 80 80 81 81 81 81 81 81 81 81 81 83 83 83 83 84 84 84 84 85 85 85 85 85 85 85 85 86 86 86 86 87 87 87 87 88 88 88 88 89 89 89 89 107 107 107 107 107 107 107 107 107 107 107 107 107 107 107 107 107 107 108 108 108 108 108 108 109 109 109 109 109 109 110 110 110 110 110 110 111 111 111 111 111 111 111 111 112 112 112 112 113 113 113 113 114 114 114 114 115 115 115 115 117 117 117 117 117 117 117 117 118 118 118 118 119 119 119 119 120 120 120 120 121 121 121 121 123 123 123 123 123 123 123 123 124 124 124 124 125 125 125 125 126 126 126 126 127 127 127 127 4 4 4 9 9 3 3 3 10 10 4 4 4 4 4 4 4 4 4 8 8 8 8 8 8 8 8 8 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 11 11 11 11 120 120 120 120 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 40 40 40 40 40 40 16 16 16 16 34 34 34 34 34 34 37 37 37 37 37 37 40 40 40 40 40 40 88 88 88 88 88 88 56 56 56 56 56 56 46 46 46 51 51 45 45 45 52 52 46 46 46 46 46 46 46 46 46 50 50 50 50 50 50 50 50 50 47 47 47 47 47 47 47 47 47 48 48 48 48 48 48 48 48 48 49 49 49 49 49 49 49 49 49 50 50 50 50 50 50 50 50 50 53 53 53 53 114 114 114 114 54 54 54 54 55 55 55 55 56 56 56 56 57 57 57 57 58 58 58 58 58 58 58 58 78 78 78 83 83 77 77 77 84 84 78 78 78 78 78 78 78 78 78 82 82 82 82 82 82 82 82 82 79 79 79 79 79 79 79 79 79 80 80 80 80 80 80 80 80 80 81 81 81 81 81 81 81 81 81 82 82 82 82 82 82 82 82 82 126 126 126 126 85 85 85 85 86 86 86 86 87 87 87 87 88 88 88 88 89 89 89 89 90 90 90 90 90 90 90 90 108 108 108 108 108 108 109 109 109 109 109 109 110 110 110 110 110 110 117 117 117 117 117 117 111 111 111 111 111 111 123 123 123 123 123 123 112 112 112 112 113 113 113 113 114 114 114 114 115 115 115 115 116 116 116 116 116 116 116 116 118 118 118 118 119 119 119 119 120 120 120 120 121 121 121 121 122 122 122 122 122 122 122 122 124 124 124 124 125 125 125 125 126 126 126 126 127 127 127 127 128 128 128 128 128 128 128 128 3 5 18 11 27 4 8 19 28 120 1 5 18 1 5 18 1 5 18 7 24 25 7 24 25 7 24 25 6 17 26 6 17 26 6 17 26 7 20 21 7 20 21 7 20 21 8 22 23 8 22 23 8 22 23 3 24 25 3 24 25 3 24 25 12 13 12 13 118 122 118 122 14 29 14 29 15 30 15 30 16 40 16 40 16 31 16 31 15 32 15 32 33 41 42 33 41 42 14 32 14 32 35 36 88 35 36 88 38 39 56 38 39 56 14 41 42 14 41 42 86 90 86 90 86 90 54 58 54 58 54 58 45 47 60 53 69 46 50 61 70 114 43 47 60 43 47 60 43 47 60 49 66 67 49 66 67 49 66 67 48 59 68 48 59 68 48 59 68 49 62 63 49 62 63 49 62 63 50 64 65 50 64 65 50 64 65 45 66 67 45 66 67 45 66 67 54 55 54 55 112 116 112 116 56 71 56 71 57 72 57 72 37 58 37 58 58 73 58 73 57 74 57 74 56 74 56 74 77 79 92 101 126 78 82 93 85 102 75 79 92 75 79 92 75 79 92 81 98 99 81 98 99 81 98 99 80 91 100 80 91 100 80 91 100 81 94 95 81 94 95 81 94 95 82 96 97 82 96 97 82 96 97 77 98 99 77 98 99 77 98 99 124 128 124 128 86 87 86 87 88 103 88 103 89 104 89 104 34 90 34 90 90 105 90 105 89 106 89 106 88 106 88 106 117 129 130 117 129 130 111 131 132 111 131 132 123 133 134 123 133 134 118 119 118 119 118 119 112 113 112 113 112 113 124 125 124 125 124 125 114 135 114 135 115 136 115 136 52 116 52 116 116 137 116 137 115 138 115 138 114 138 114 138 120 139 120 139 121 140 121 140 10 122 10 122 122 141 122 141 121 142 121 142 120 142 120 142 126 143 126 143 127 144 127 144 83 128 83 128 128 145 128 145 127 146 127 146 126 146 126 146 138.7017 -99.773 20.1637 -178.9449 -0.0773 127.5857 -111.4878 8.68 -1.3316 177.4027 -172.2838 66.6104 -52.2157 67.6483 -53.4574 -172.2836 -51.5005 -172.6062 68.5676 -64.9876 174.0634 57.9285 54.7385 -66.2105 177.6546 173.4482 52.4991 -63.6358 -65.0782 58.1565 174.1868 54.7592 177.9939 -65.9758 173.5597 -63.2056 52.8246 -55.4206 65.5953 -177.3197 -177.3671 -56.3513 60.7337 64.0612 -174.9229 -57.838 55.0308 176.8488 -65.7164 -65.9534 55.8646 173.2993 176.6105 -61.5716 55.8632 -55.6737 64.1342 -177.4641 -177.8687 -58.0608 60.3408 64.9458 -175.2463 -56.8447 179.5841 2.1207 0.6509 -176.8126 0.7694 -177.9195 179.5752 0.8862 -175.9272 3.0786 1.6207 -179.3736 176.8978 -2.2613 -0.5451 -179.7042 -1.3328 177.3627 179.6562 -1.6483 -0.7738 -179.5869 178.3679 -0.4453 -0.0177 179.4325 -178.6617 0.7885 -49.1728 -174.6908 68.5186 129.4655 3.9474 -112.8431 1.0649 -178.3838 179.8808 0.4322 -86.5228 30.5311 149.3837 49.6066 166.6605 -74.4869 49.5572 166.6129 -74.5508 -86.5701 30.4857 149.3219 149.4002 -86.498 30.5641 -74.4854 49.6164 166.6785 -49.0659 129.6638 -174.6014 4.1283 68.6493 -112.621 -48.4239 130.2124 -173.9457 4.6907 69.2629 -112.1008 139.4572 -99.0781 20.8694 -179.071 -0.2394 127.4539 -111.7133 8.4905 -1.5083 177.1092 -172.6978 66.276 -52.6103 67.2929 -53.7333 -172.6196 -51.8782 -172.9044 68.2093 -64.8603 174.2279 58.0646 54.8468 -66.0651 177.7717 173.568 52.6562 -63.5071 -64.8064 58.3868 174.4333 54.9982 178.1914 -65.7622 173.8528 -62.954 53.0924 -55.458 65.5287 -177.3831 -177.36 -56.3733 60.7149 64.0433 -174.97 -57.8819 54.9417 176.7531 -65.8334 -65.9895 55.822 173.2355 176.5617 -61.6268 55.7866 -55.6109 64.1436 -177.4302 -177.7965 -58.042 60.3842 65.0234 -175.222 -56.7958 179.4776 2.02 0.5778 -176.8797 0.7912 -177.7595 179.486 0.9353 -175.8985 3.0812 1.6462 -179.3741 176.8817 -2.3139 -0.5535 -179.7491 177.3485 -1.3466 -1.6371 179.6677 -0.7931 -179.5964 178.3859 -0.4174 -178.6738 0.7886 -0.0325 179.4299 1.0962 -178.3648 179.9026 0.4416 129.2246 -109.8925 10.2278 -1.6705 176.9356 137.427 -101.0776 18.9049 -178.6937 0.0861 -172.4473 67.5385 -51.6078 66.4856 -53.5285 -172.6748 -52.3957 -172.4099 68.4438 -65.0833 174.1449 58.1447 54.6687 -66.1031 177.8966 173.5183 52.7465 -63.2538 -64.8557 58.0375 174.1979 54.9062 177.7995 -66.0401 173.634 -63.4728 52.6876 -55.7944 64.8112 -178.01 -177.556 -56.9505 60.2283 63.9985 -175.396 -58.2171 54.9912 176.5569 -66.0098 -65.7026 55.863 173.2964 176.8373 -61.5971 55.8363 -55.2613 64.3026 -177.2129 -177.1487 -57.5848 60.8997 65.7624 -174.6738 -56.1893 0.9034 -177.6873 179.5873 0.9966 179.3862 1.9533 0.535 -176.8978 -175.9771 3.1382 1.5403 -179.3444 176.8869 -2.2941 -0.5251 -179.7061 177.5429 -1.2396 -1.577 179.6406 -0.7491 -179.586 178.4149 -0.4221 -178.7998 0.6553 -0.0643 179.3908 1.0537 -178.3997 179.8934 0.44 80.2261 -161.2183 -43.9886 -147.5878 -29.0322 88.1975 -147.4814 -28.9512 88.2755 80.3187 -161.1511 -43.9244 79.8131 -161.647 -44.4251 -147.9806 -29.4406 87.7812 73.0935 -105.2171 -44.8165 136.8729 -161.8668 19.8226 72.2466 -106.1333 -45.6656 135.9544 -162.6932 18.9269 72.3066 -106.0418 -45.5831 136.0685 -162.6242 19.0274 -179.4856 0.8421 -1.0528 179.2748 178.092 -1.9687 -0.2839 179.6553 -176.9338 1.6225 2.7423 -178.7014 1.0324 -179.4535 -178.9065 0.6076 177.7193 -1.7675 -0.8575 179.6557 -0.4521 179.0305 -179.9661 -0.4835 -179.4053 0.9515 -1.0409 179.3159 177.9827 -2.0825 -0.3249 179.6098 -177.0549 1.6387 2.5924 -178.7139 1.0745 -179.4485 -178.86 0.617 177.8397 -1.6837 -0.8729 179.6036 -0.4655 179.0539 -179.9423 -0.4229 -179.399 0.9371 -0.9966 179.3395 178.0455 -1.9914 -0.2997 179.6634 -177.021 1.5764 2.6471 -178.7555 0.9983 -179.4682 -178.9647 0.5689 177.7528 -1.7528 -0.8618 179.6326 -0.4078 179.0938 -179.9412 -0.4395 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 146 1.00e+00 60 T IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. NBasis= 1550 RedAO= T EigKep= 1.21D-06 NBF= 1550 NBsUse= 1530 1.00D-06 EigRej= 9.18D-07 NBFU= 1530 Berny optimization. local minimum Step number 13 out of a maximum of 876 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00208 0.00408 0.00452 0.00456 0.00459 0.00494 0.00499 0.00513 0.00561 0.00573 0.00573 0.00605 0.00689 0.00702 0.00754 0.00764 0.00853 0.00959 0.00971 0.01002 0.01040 0.01061 0.01108 0.01139 0.01148 0.01244 0.01260 0.01418 0.01429 0.01522 0.01523 0.01544 0.01559 0.01672 0.01750 0.01756 0.01805 0.01807 0.01815 0.01828 0.01844 0.01863 0.01876 0.01879 0.01893 0.01922 0.01935 0.01959 0.02006 0.02026 0.02033 0.02040 0.02070 0.02072 0.02074 0.02082 0.02089 0.02090 0.02093 0.02097 0.02099 0.02101 0.02102 0.02103 0.02105 0.02106 0.02108 0.02112 0.02115 0.02118 0.02120 0.02121 0.02125 0.02125 0.02125 0.02128 0.02129 0.02132 0.02133 0.02149 0.02153 0.02154 0.02156 0.02160 0.02163 0.02175 0.02188 0.02229 0.02383 0.02517 0.02554 0.02601 0.02752 0.02953 0.03395 0.03534 0.03539 0.03557 0.03602 0.03648 0.03910 0.04078 0.04079 0.04085 0.04116 0.04144 0.04183 0.04459 0.04505 0.04534 0.04583 0.04683 0.04693 0.04707 0.04714 0.04806 0.04812 0.04813 0.04817 0.04899 0.04965 0.05054 0.05165 0.05284 0.05363 0.05487 0.05509 0.05584 0.05666 0.05681 0.05690 0.05816 0.05852 0.05879 0.06183 0.06211 0.06283 0.06354 0.06407 0.06576 0.06597 0.06687 0.06835 0.06873 0.06897 0.06900 0.07147 0.07178 0.07229 0.08027 0.08028 0.08032 0.08044 0.08046 0.08048 0.08120 0.08187 0.08302 0.08391 0.08398 0.08409 0.08421 0.08435 0.08461 0.08600 0.08616 0.08884 0.08965 0.09126 0.09500 0.10086 0.10122 0.10125 0.10140 0.10189 0.10225 0.11512 0.11525 0.11796 0.12058 0.12059 0.12073 0.12231 0.12827 0.12975 0.13130 0.13573 0.13742 0.14172 0.14286 0.14684 0.15087 0.15259 0.15608 0.15732 0.15923 0.15948 0.15976 0.15991 0.15997 0.15998 0.15998 0.15999 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16001 0.16003 0.16005 0.16010 0.16012 0.16051 0.16109 0.16410 0.16721 0.17374 0.17458 0.17879 0.18016 0.18088 0.19230 0.19521 0.20726 0.20922 0.21200 0.21306 0.21567 0.21624 0.21995 0.21997 0.22003 0.22009 0.22115 0.22154 0.22658 0.22695 0.22848 0.22918 0.22960 0.23068 0.23391 0.23416 0.23454 0.23461 0.23464 0.23475 0.23494 0.23511 0.23520 0.23532 0.23571 0.23795 0.24028 0.24108 0.24374 0.24695 0.24935 0.24976 0.24995 0.25004 0.25068 0.25083 0.25634 0.26415 0.26708 0.26985 0.27001 0.27356 0.27409 0.27492 0.27522 0.27579 0.27722 0.28598 0.28648 0.28658 0.28856 0.28866 0.28895 0.28907 0.28934 0.29230 0.30713 0.30724 0.30945 0.31025 0.31049 0.31230 0.33211 0.33216 0.33220 0.33223 0.33225 0.33270 0.33319 0.33325 0.33339 0.33381 0.33389 0.33394 0.33395 0.33412 0.33422 0.33539 0.33554 0.33561 0.33933 0.33937 0.33937 0.33964 0.33969 0.33972 0.33975 0.33976 0.33979 0.33996 0.34002 0.34005 0.34025 0.34029 0.34031 0.34035 0.34038 0.34044 0.34095 0.34104 0.34113 0.34129 0.34134 0.34134 0.34261 0.34309 0.34327 0.34363 0.34448 0.34464 0.35112 0.35113 0.35114 0.35115 0.35115 0.35119 0.35143 0.35148 0.35151 0.35188 0.35207 0.35210 0.35212 0.35216 0.35238 0.35238 0.35238 0.35316 0.35345 0.35353 0.35368 0.35372 0.35375 0.35419 0.35434 0.35439 0.35472 0.35591 0.35611 0.35789 0.36302 0.36541 0.36820 0.36864 0.36941 0.37065 0.37085 0.37402 0.37587 0.37664 0.37765 0.40583 0.41032 0.41043 0.41132 0.41258 0.41284 0.41524 0.41710 0.41715 0.41745 0.41760 0.41766 0.41801 0.45046 0.45076 0.45126 0.45218 0.45239 0.45243 0.45397 0.45644 0.45646 0.45759 0.45767 0.45816 0.45842 0.45917 0.45942 0.46058 0.46062 0.46328 0.46570 0.46580 0.46794 0.46924 0.46937 0.46945 0.74648 0.74714 0.74738 0.74909 0.74999 0.77334 -2.40085502e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 R91 R92 R93 R94 R95 R96 R97 R98 R99 R100 R101 R102 R103 R104 R105 R106 R107 R108 R109 R110 R111 R112 R113 R114 R115 R116 R117 R118 R119 R120 R121 R122 R123 R124 R125 R126 R127 R128 R129 R130 R131 R132 R133 R134 R135 R136 R137 R138 R139 R140 R141 R142 R143 R144 R145 R146 R147 R148 R149 R150 R151 R152 R153 R154 R155 R156 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 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-2.85787 -0.82766 1.33857 -2.86013 -0.82986 -2.76375 -0.67926 1.35101 1.36521 -1.78177 -0.70988 2.42632 -2.74188 0.39432 1.36550 -1.78263 -0.70960 2.42545 -2.74156 0.39348 1.37756 -1.76872 -0.69691 2.43999 -2.72959 0.40732 -3.13291 0.00293 0.01503 -3.13232 3.11897 -0.01831 -0.02911 3.11680 -3.11891 0.01648 0.02839 -3.11941 0.01141 -3.12919 -3.13450 0.00809 3.10105 -0.02128 -0.03451 3.12635 0.02086 -3.14010 -3.12173 0.00050 -3.13151 0.00432 0.01532 -3.13204 3.11755 -0.01962 -0.02939 3.11664 -3.11812 0.01640 0.02919 -3.11947 0.01147 -3.12931 -3.13455 0.00785 3.10005 -0.02207 -0.03466 3.12640 0.02102 -3.14015 -3.12139 0.00064 -3.13064 0.00492 0.01550 -3.13213 3.11662 -0.02149 -0.02962 3.11546 -3.11850 0.01647 0.02908 -3.11914 0.01151 -3.12976 -3.13357 0.00835 3.10022 -0.02193 -0.03493 3.12610 0.02124 -3.13990 -3.12068 0.00136 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000005 0.000001 0.000949 0.000174 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.074800e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 R91 R92 R93 R94 R95 R96 R97 R98 R99 R100 R101 R102 R103 R104 R105 R106 R107 R108 R109 R110 R111 R112 R113 R114 R115 R116 R117 R118 R119 R120 R121 R122 R123 R124 R125 R126 R127 R128 R129 R130 R131 R132 R133 R134 R135 R136 R137 R138 R139 R140 R141 R142 R143 R144 R145 R146 R147 R148 R149 R150 R151 R152 R153 R154 R155 R156 1 1 2 2 3 3 3 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 33 33 33 34 34 34 37 37 37 40 40 43 43 44 44 45 45 45 46 46 47 47 47 48 48 48 49 49 49 50 50 51 51 52 52 53 53 54 54 55 55 56 57 57 58 75 75 76 76 77 77 77 78 78 79 79 79 80 80 80 81 81 81 82 82 83 83 84 84 85 85 86 86 87 87 88 89 89 90 107 107 107 108 108 108 109 109 109 110 110 110 111 111 112 112 113 113 114 115 115 116 117 117 118 118 119 119 120 121 121 122 123 123 124 124 125 125 126 127 127 128 4 9 3 10 4 8 19 5 18 6 17 26 7 20 21 8 22 23 24 25 11 27 28 120 12 13 14 29 15 30 16 40 16 31 32 34 37 40 35 36 88 38 39 56 41 42 46 51 45 52 46 50 61 47 60 48 59 68 49 62 63 50 64 65 66 67 53 69 70 114 54 55 56 71 57 72 58 58 73 74 78 83 77 84 78 82 93 79 92 80 91 100 81 94 95 82 96 97 98 99 101 126 85 102 86 87 88 103 89 104 90 90 105 106 108 109 110 117 129 130 111 131 132 123 133 134 112 113 114 135 115 136 116 116 137 138 118 119 120 139 121 140 122 122 141 142 124 125 126 143 127 144 128 128 145 146 1.4625 1.2766 1.4627 1.2764 1.5558 1.5453 1.103 1.5452 1.103 1.5358 1.098 1.0975 1.5359 1.0987 1.0984 1.5356 1.0984 1.0986 1.0979 1.098 1.4752 1.1026 1.1026 1.4768 1.4019 1.4079 1.4019 1.0871 1.3922 1.086 1.3995 1.5189 1.4034 1.0874 1.0883 1.4698 1.4699 1.47 1.106 1.0963 1.5188 1.1061 1.0963 1.519 1.1061 1.0963 1.4624 1.2766 1.4627 1.2764 1.556 1.5453 1.103 1.5451 1.1031 1.5357 1.0979 1.0975 1.5358 1.0987 1.0984 1.5357 1.0984 1.0986 1.0979 1.098 1.4753 1.1025 1.1026 1.4768 1.402 1.4079 1.4019 1.0871 1.3922 1.086 1.3995 1.4033 1.0874 1.0883 1.4624 1.2764 1.4623 1.2767 1.5561 1.545 1.103 1.5452 1.103 1.5356 1.0979 1.0979 1.5358 1.0986 1.0984 1.5356 1.0984 1.0987 1.0975 1.0979 1.1027 1.4767 1.4751 1.1027 1.4019 1.4079 1.4018 1.0871 1.3922 1.086 1.3995 1.4033 1.0874 1.0883 1.477 1.477 1.4772 1.5178 1.0933 1.1062 1.5176 1.0934 1.1063 1.5176 1.0933 1.1063 1.3993 1.4041 1.4038 1.0866 1.3989 1.0881 1.4058 1.3953 1.0872 1.0882 1.3993 1.4042 1.4038 1.0866 1.3988 1.0882 1.4057 1.3953 1.0872 1.0881 1.3993 1.4042 1.4038 1.0866 1.3988 1.0881 1.4057 1.3953 1.0872 1.0881 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 A190 A191 A192 A193 A194 A195 A196 A197 A198 A199 A200 A201 A202 A203 A204 A205 A206 A207 A208 A209 A210 A211 A212 A213 A214 A215 A216 A217 A218 A219 A220 A221 A222 A223 A224 A225 A226 A227 A228 A229 A230 A231 A232 A233 A234 A235 A236 A237 A238 A239 A240 A241 A242 A243 A244 A245 A246 A247 A248 A249 A250 A251 A252 A253 A254 A255 A256 A257 A258 A259 A260 A261 A262 A263 A264 A265 A266 A267 A268 A269 A270 A271 A272 A273 A274 A275 A276 A277 A278 A279 A280 A281 A282 4 3 2 2 2 4 4 8 1 1 1 3 3 5 4 4 4 6 6 17 5 5 5 7 7 20 6 6 6 8 8 22 3 3 3 7 7 24 1 1 11 2 2 28 9 9 12 11 11 14 11 11 15 12 12 16 13 13 16 14 14 15 34 34 37 33 33 33 35 35 36 33 33 33 38 38 39 14 14 14 33 33 41 46 45 44 44 44 46 46 50 43 43 43 45 45 47 46 46 46 48 48 59 47 47 47 49 49 62 48 48 48 50 50 64 45 45 45 49 49 66 43 43 53 44 44 70 51 51 54 53 53 56 53 53 57 37 37 54 55 55 58 56 56 57 78 77 76 76 76 78 78 82 75 75 75 77 77 79 78 78 78 80 80 91 79 79 79 81 81 94 80 80 80 82 82 96 77 77 77 81 81 98 75 75 101 76 76 85 84 84 86 85 85 88 85 85 89 34 34 86 87 87 90 88 88 89 108 108 109 107 107 107 117 117 129 107 107 107 111 111 131 107 107 107 123 123 133 109 109 112 111 111 114 111 111 115 52 52 112 113 113 116 114 114 115 108 108 118 117 117 120 117 117 121 10 10 118 119 119 122 120 120 121 110 110 124 123 123 126 123 123 127 83 83 124 125 125 128 126 126 127 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 33 33 33 34 34 34 34 34 34 37 37 37 37 37 37 40 40 40 40 40 40 43 44 45 45 45 45 45 45 46 46 46 46 46 46 47 47 47 47 47 47 48 48 48 48 48 48 49 49 49 49 49 49 50 50 50 50 50 50 51 51 51 52 52 52 53 53 53 54 54 54 55 55 55 56 56 56 57 57 57 58 58 58 75 76 77 77 77 77 77 77 78 78 78 78 78 78 79 79 79 79 79 79 80 80 80 80 80 80 81 81 81 81 81 81 82 82 82 82 82 82 83 83 83 84 84 84 85 85 85 86 86 86 87 87 87 88 88 88 89 89 89 90 90 90 107 107 107 108 108 108 108 108 108 109 109 109 109 109 109 110 110 110 110 110 110 111 111 111 112 112 112 113 113 113 114 114 114 115 115 115 116 116 116 117 117 117 118 118 118 119 119 119 120 120 120 121 121 121 122 122 122 123 123 123 124 124 124 125 125 125 126 126 126 127 127 127 128 128 128 9 10 4 8 19 8 19 19 3 5 18 5 18 18 6 17 26 17 26 26 7 20 21 20 21 21 8 22 23 22 23 23 7 24 25 24 25 25 11 27 27 28 120 120 12 13 13 14 29 29 15 30 30 16 40 40 16 31 31 15 32 32 37 40 40 35 36 88 36 88 88 38 39 56 39 56 56 33 41 42 41 42 42 51 52 46 50 61 50 61 61 45 47 60 47 60 60 48 59 68 59 68 68 49 62 63 62 63 63 50 64 65 64 65 65 49 66 67 66 67 67 53 69 69 70 114 114 54 55 55 56 71 71 57 72 72 54 58 58 58 73 73 57 74 74 83 84 78 82 93 82 93 93 77 79 92 79 92 92 80 91 100 91 100 100 81 94 95 94 95 95 82 96 97 96 97 97 81 98 99 98 99 99 101 126 126 85 102 102 86 87 87 88 103 103 89 104 104 86 90 90 90 105 105 89 106 106 109 110 110 117 129 130 129 130 130 111 131 132 131 132 132 123 133 134 133 134 134 112 113 113 114 135 135 115 136 136 112 116 116 116 137 137 115 138 138 118 119 119 120 139 139 121 140 140 118 122 122 122 141 141 121 142 142 124 125 125 126 143 143 127 144 144 124 128 128 128 145 145 127 146 146 117.2697 117.9495 108.1274 110.5562 110.2509 111.6488 108.0656 108.1653 108.9919 110.3296 110.1338 111.5616 107.6113 108.1697 113.4565 108.6195 107.4999 110.6834 109.304 107.0329 111.0064 109.7789 109.4472 109.4491 110.2571 106.8098 110.9449 110.2737 109.4776 109.4486 109.7649 106.8424 113.3695 107.5423 108.6516 109.2849 110.748 107.0018 124.4578 120.8409 114.7013 121.27 123.4375 115.2852 118.0674 122.8244 119.1076 121.7207 119.2073 119.0718 119.712 119.525 120.7625 118.273 120.1468 121.5592 120.4965 119.8564 119.6456 120.6886 119.6181 119.6932 112.0556 112.1078 112.0931 111.5617 107.1576 113.22 106.4763 109.6102 108.5178 111.5405 107.1825 113.2055 106.4776 109.6068 108.5335 113.1489 109.6423 108.5534 111.5448 107.161 106.4998 117.3075 117.8967 108.1226 110.5768 110.2072 111.6884 108.0694 108.1484 109.0087 110.2659 110.1781 111.5581 107.6232 108.167 113.4119 108.6217 107.5294 110.683 109.3262 107.0266 111.006 109.7443 109.4633 109.4604 110.2493 106.8256 110.9588 110.2716 109.4801 109.4324 109.7924 106.8156 113.4193 107.5332 108.6405 109.2731 110.748 106.9795 124.4654 120.8381 114.6965 121.2233 123.476 115.2945 118.052 122.8391 119.1085 121.7186 119.1996 119.0816 119.7104 119.5301 120.7589 120.186 121.5184 118.2721 120.4977 119.8584 119.6426 120.6911 119.6144 119.6944 118.0028 117.2874 108.9831 110.3157 110.1643 111.5852 107.6099 108.1408 108.093 110.588 110.2641 111.6573 108.0388 108.172 113.3752 108.6622 107.516 110.7641 109.2686 107.011 110.9341 109.7656 109.4496 109.4772 110.2833 106.8428 110.9845 110.2613 109.4616 109.4513 109.7796 106.8112 113.4555 107.5005 108.6245 109.2953 110.6953 107.0243 121.2796 123.4147 115.2988 124.4505 120.8355 114.714 118.0658 122.8219 119.1119 121.7106 119.2473 119.042 119.712 119.5254 120.762 120.1721 121.5189 118.2851 120.4941 119.8577 119.6466 120.6849 119.6145 119.7006 111.3512 111.3941 111.3492 113.4112 107.2614 110.7984 108.2423 109.9703 106.8781 113.4618 107.2515 110.7853 108.2197 109.9437 106.8985 113.4405 107.2282 110.7765 108.2289 109.9716 106.9161 119.6735 121.6454 118.6801 121.2518 119.8008 118.9466 120.7264 119.6095 119.6636 121.7984 119.0802 119.1205 120.0088 119.9619 120.0293 120.1739 119.6556 120.1612 119.6744 121.6553 118.6695 121.2538 119.8146 118.9308 120.7344 119.5941 119.671 121.7981 119.078 119.1227 120.0047 119.9652 120.03 120.1757 119.6575 120.1574 119.6597 121.6791 118.6606 121.2649 119.7766 118.9577 120.7354 119.6145 119.6498 121.8074 119.0744 119.1171 120.0066 119.9638 120.0296 120.1758 119.6475 120.1674 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX 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= 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 D340 D341 D342 D343 D344 D345 D346 D347 D348 D349 D350 D351 D352 D353 D354 D355 D356 D357 D358 D359 D360 D361 D362 D363 D364 D365 D366 D367 D368 D369 D370 D371 D372 D373 D374 D375 D376 D377 D378 D379 D380 D381 D382 D383 D384 D385 D386 D387 D388 D389 D390 D391 D392 D393 D394 D395 D396 D397 D398 D399 D400 D401 D402 D403 D404 D405 D406 D407 D408 D409 D410 D411 D412 D413 D414 D415 D416 D417 D418 D419 D420 D421 D422 D423 D424 D425 D426 D427 D428 D429 D430 D431 9 9 9 4 4 10 10 10 3 3 2 2 2 8 8 8 19 19 19 2 2 2 4 4 4 19 19 19 1 1 1 3 3 3 18 18 18 4 4 4 17 17 17 26 26 26 5 5 5 20 20 20 21 21 21 6 6 6 22 22 22 23 23 23 1 1 27 27 2 2 28 28 9 9 13 13 9 9 12 12 11 11 29 29 11 11 30 30 12 12 40 40 12 12 12 16 16 16 13 13 31 31 37 37 37 40 40 40 34 34 34 40 40 40 34 34 34 37 37 37 33 33 35 35 36 36 33 33 38 38 39 39 51 51 51 46 46 52 52 52 45 45 44 44 44 50 50 50 61 61 61 44 44 44 46 46 46 61 61 61 43 43 43 45 45 45 60 60 60 46 46 46 59 59 59 68 68 68 47 47 47 62 62 62 63 63 63 48 48 48 64 64 64 65 65 65 43 43 69 69 44 44 70 70 51 51 55 55 51 51 54 54 53 53 71 71 53 53 72 72 37 37 54 54 55 55 73 73 83 83 83 78 78 84 84 84 77 77 76 76 76 82 82 82 93 93 93 76 76 76 78 78 78 93 93 93 75 75 75 77 77 77 92 92 92 78 78 78 91 91 91 100 100 100 79 79 79 94 94 94 95 95 95 80 80 80 96 96 96 97 97 97 75 75 101 101 76 76 102 102 84 84 87 87 84 84 86 86 85 85 103 103 85 85 104 104 34 34 86 86 87 87 105 105 109 109 109 110 110 110 108 108 108 110 110 110 108 108 108 109 109 109 107 107 129 129 130 130 107 107 131 131 132 132 107 107 133 133 134 134 109 109 113 113 109 109 112 112 111 111 135 135 111 111 136 136 52 52 112 112 113 113 137 137 108 108 119 119 108 108 118 118 117 117 139 139 117 117 140 140 10 10 118 118 119 119 141 141 110 110 125 125 110 110 124 124 123 123 143 143 123 123 144 144 83 83 124 124 125 125 145 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 14 14 15 15 15 15 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 34 34 34 34 34 34 37 37 37 37 37 37 43 43 43 43 43 44 44 44 44 44 45 45 45 45 45 45 45 45 45 45 45 45 45 45 45 45 45 45 46 46 46 46 46 46 46 46 46 47 47 47 47 47 47 47 47 47 48 48 48 48 48 48 48 48 48 49 49 49 49 49 49 49 49 49 51 51 51 51 52 52 52 52 53 53 53 53 53 53 53 53 54 54 54 54 55 55 55 55 56 56 56 56 57 57 57 57 75 75 75 75 75 76 76 76 76 76 77 77 77 77 77 77 77 77 77 77 77 77 77 77 77 77 77 77 78 78 78 78 78 78 78 78 78 79 79 79 79 79 79 79 79 79 80 80 80 80 80 80 80 80 80 81 81 81 81 81 81 81 81 81 83 83 83 83 84 84 84 84 85 85 85 85 85 85 85 85 86 86 86 86 87 87 87 87 88 88 88 88 89 89 89 89 107 107 107 107 107 107 107 107 107 107 107 107 107 107 107 107 107 107 108 108 108 108 108 108 109 109 109 109 109 109 110 110 110 110 110 110 111 111 111 111 111 111 111 111 112 112 112 112 113 113 113 113 114 114 114 114 115 115 115 115 117 117 117 117 117 117 117 117 118 118 118 118 119 119 119 119 120 120 120 120 121 121 121 121 123 123 123 123 123 123 123 123 124 124 124 124 125 125 125 125 126 126 126 126 127 127 127 4 4 4 9 9 3 3 3 10 10 4 4 4 4 4 4 4 4 4 8 8 8 8 8 8 8 8 8 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 11 11 11 11 120 120 120 120 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 40 40 40 40 40 40 16 16 16 16 34 34 34 34 34 34 37 37 37 37 37 37 40 40 40 40 40 40 88 88 88 88 88 88 56 56 56 56 56 56 46 46 46 51 51 45 45 45 52 52 46 46 46 46 46 46 46 46 46 50 50 50 50 50 50 50 50 50 47 47 47 47 47 47 47 47 47 48 48 48 48 48 48 48 48 48 49 49 49 49 49 49 49 49 49 50 50 50 50 50 50 50 50 50 53 53 53 53 114 114 114 114 54 54 54 54 55 55 55 55 56 56 56 56 57 57 57 57 58 58 58 58 58 58 58 58 78 78 78 83 83 77 77 77 84 84 78 78 78 78 78 78 78 78 78 82 82 82 82 82 82 82 82 82 79 79 79 79 79 79 79 79 79 80 80 80 80 80 80 80 80 80 81 81 81 81 81 81 81 81 81 82 82 82 82 82 82 82 82 82 126 126 126 126 85 85 85 85 86 86 86 86 87 87 87 87 88 88 88 88 89 89 89 89 90 90 90 90 90 90 90 90 108 108 108 108 108 108 109 109 109 109 109 109 110 110 110 110 110 110 117 117 117 117 117 117 111 111 111 111 111 111 123 123 123 123 123 123 112 112 112 112 113 113 113 113 114 114 114 114 115 115 115 115 116 116 116 116 116 116 116 116 118 118 118 118 119 119 119 119 120 120 120 120 121 121 121 121 122 122 122 122 122 122 122 122 124 124 124 124 125 125 125 125 126 126 126 126 127 127 127 127 128 128 128 128 128 128 128 3 5 18 11 27 4 8 19 28 120 1 5 18 1 5 18 1 5 18 7 24 25 7 24 25 7 24 25 6 17 26 6 17 26 6 17 26 7 20 21 7 20 21 7 20 21 8 22 23 8 22 23 8 22 23 3 24 25 3 24 25 3 24 25 12 13 12 13 118 122 118 122 14 29 14 29 15 30 15 30 16 40 16 40 16 31 16 31 15 32 15 32 33 41 42 33 41 42 14 32 14 32 35 36 88 35 36 88 38 39 56 38 39 56 14 41 42 14 41 42 86 90 86 90 86 90 54 58 54 58 54 58 45 47 60 53 69 46 50 61 70 114 43 47 60 43 47 60 43 47 60 49 66 67 49 66 67 49 66 67 48 59 68 48 59 68 48 59 68 49 62 63 49 62 63 49 62 63 50 64 65 50 64 65 50 64 65 45 66 67 45 66 67 45 66 67 54 55 54 55 112 116 112 116 56 71 56 71 57 72 57 72 37 58 37 58 58 73 58 73 57 74 57 74 56 74 56 74 77 79 92 101 126 78 82 93 85 102 75 79 92 75 79 92 75 79 92 81 98 99 81 98 99 81 98 99 80 91 100 80 91 100 80 91 100 81 94 95 81 94 95 81 94 95 82 96 97 82 96 97 82 96 97 77 98 99 77 98 99 77 98 99 124 128 124 128 86 87 86 87 88 103 88 103 89 104 89 104 34 90 34 90 90 105 90 105 89 106 89 106 88 106 88 106 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1.8774 -177.8262 16.3018 -163.2931 -164.6687 15.7365 -179.3549 0.4742 0.36 -179.8109 179.4909 -0.2407 -0.2098 -179.9414 -0.1443 -178.5054 -179.9736 1.6653 -0.1477 -179.6933 179.5806 0.035 -0.2209 179.662 178.116 -2.0012 -50.6173 -175.8333 68.1978 131.0765 5.8606 -110.1083 0.369 -179.5138 179.9155 0.0327 -76.6318 39.5463 159.1596 50.4242 166.6023 -73.7844 50.3085 166.4915 -73.8678 -76.7554 39.4276 159.0683 159.262 -76.5546 39.6448 -73.7021 50.4813 166.6806 -50.2813 131.5282 -175.5471 6.2624 68.5495 -109.641 -50.2841 131.5077 -175.5086 6.2832 68.5795 -109.6288 127.0257 -110.1896 9.137 179.4069 -0.5253 134.8948 -102.5431 16.9754 0.5754 179.6309 -165.6605 72.333 -46.1731 72.4591 -49.5474 -168.0534 -46.3803 -168.3868 73.1071 -68.4197 170.6448 55.1908 52.0357 -68.8999 175.6462 170.8282 49.8926 -65.5614 -69.1665 54.3409 169.8385 52.112 175.6194 -68.883 170.2925 -66.2001 49.2975 -55.0224 66.1077 -176.9545 -177.3936 -56.2634 60.6743 64.9556 -173.9143 -56.9765 55.1931 176.6102 -66.1467 -66.1039 55.3132 172.5563 176.6656 -61.9173 55.3258 -54.8523 65.0982 -177.3024 -176.7607 -56.8102 60.7892 66.3038 -173.7457 -56.1463 -177.8148 2.4105 2.121 -177.6536 16.3918 -163.2534 -164.5016 15.8532 -179.4086 0.4511 0.3747 -179.7656 179.5055 -0.2189 -0.2669 -179.9913 -178.3803 -0.1146 1.7598 -179.9745 -0.0925 -179.6613 179.6285 0.0597 177.9884 -2.1194 -0.253 179.6392 0.3591 -179.533 179.9288 0.0367 134.9548 -102.5338 17.0577 0.6709 179.6709 126.4406 -110.7256 8.5912 179.5028 -0.446 -165.5932 72.5518 -46.2788 72.3374 -49.5176 -168.3482 -46.1441 -167.999 73.1703 -69.3077 169.7289 54.2478 51.9908 -68.9726 175.5463 170.1545 49.1912 -66.2899 -68.2488 55.368 170.861 52.1561 175.7728 -68.7342 170.9075 -65.4757 50.0173 -55.0395 66.0791 -176.958 -177.4981 -56.3795 60.5834 64.8572 -174.0242 -57.0613 55.2592 176.7104 -66.0689 -66.0291 55.4221 172.6428 176.6895 -61.8593 55.3614 -54.9362 65.0119 -177.3518 -176.8612 -56.9131 60.7232 66.2049 -173.847 -56.2107 16.1904 -163.4295 -164.7549 15.6251 -177.7301 2.5118 2.2215 -177.5366 -179.4529 0.4202 0.3144 -179.8124 179.5442 -0.1821 -0.2115 -179.9378 -178.325 -0.0766 1.8016 -179.95 -0.1226 -179.6721 179.6002 0.0507 177.9593 -2.149 -0.2643 179.6274 0.3669 -179.5247 179.9174 0.0258 76.975 -163.5699 -47.2587 -158.0683 -38.6133 77.6979 -158.2029 -38.7522 77.5706 76.8153 -163.734 -47.4111 76.6922 -163.874 -47.5482 -158.35 -38.9163 77.4095 78.2261 -102.0835 -40.6665 139.0239 -157.0917 22.5987 78.2326 -102.1419 -40.6634 138.9621 -157.0856 22.5399 78.9228 -101.3468 -39.9373 139.7931 -156.4011 23.3293 -179.5017 0.1676 0.8617 -179.469 178.7028 -1.0504 -1.6681 178.5787 -178.7011 0.944 1.6268 -178.7281 0.6539 -179.2888 -179.593 0.4643 177.6773 -1.2194 -1.9775 179.1258 1.1953 -179.9136 -178.862 0.0291 -179.4225 0.2463 0.8778 -179.4534 178.6221 -1.1241 -1.6844 178.5693 -178.6545 0.9401 1.6738 -178.7316 0.658 -179.2959 -179.5959 0.4502 177.6193 -1.265 -1.9865 179.1292 1.2042 -179.9171 -178.842 0.0368 -179.3749 0.2807 0.8866 -179.4578 178.571 -1.2296 -1.696 178.5034 -178.6752 0.9445 1.6665 -178.7138 0.6592 -179.3218 -179.5403 0.4788 177.6286 -1.2582 -2.0016 179.1115 1.2167 -179.9022 -178.8023 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 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0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 PCM SMD-Coulomb. Total charges None On-the-fly selection Chloroform 4.711300 2.090627 0.0405088 0.0206889 0.0206687 -14.32349 -14.32344 -14.32343 -10.23007 -10.23007 -10.23005 -10.22590 -10.22585 -10.22583 -10.21326 -10.21325 -10.21322 -10.20829 -10.20827 -10.20823 -10.20696 -10.20696 -10.20696 -10.20598 -10.20587 -10.20578 -10.20085 -10.20084 -10.20081 -10.19961 -10.19960 -10.19959 -10.19608 -10.19606 -10.19605 -10.19549 -10.19544 -10.19544 -10.19496 -10.19491 -10.19490 -10.19452 -10.19452 -10.19450 -10.19267 -10.19260 -10.19258 -10.19239 -10.19236 -10.19230 -10.19185 -10.19184 -10.19181 -10.19180 -10.19179 -10.19158 -10.19127 -10.19126 -10.19122 -10.18484 -10.18480 -10.18474 -10.16988 -10.16976 -10.16974 -10.16880 -10.16879 -10.16878 -10.16775 -10.16774 -10.16772 -10.16682 -10.16680 -10.16678 -0.93340 -0.93245 -0.93240 -0.93172 -0.92705 -0.91728 -0.91725 -0.91701 -0.86382 -0.86379 -0.85897 -0.85896 -0.85806 -0.85306 -0.81272 -0.81271 -0.81086 -0.78050 -0.78049 -0.77746 -0.77743 -0.76663 -0.76310 -0.76128 -0.76126 -0.75657 -0.75657 -0.75176 -0.74743 -0.72842 -0.72839 -0.72814 -0.72306 -0.72304 -0.72246 -0.69287 -0.69284 -0.69014 -0.69009 -0.65226 -0.65179 -0.65177 -0.63575 -0.63158 -0.63156 -0.63139 -0.62489 -0.60498 -0.60496 -0.60364 -0.60360 -0.60025 -0.59651 -0.59645 -0.59643 -0.58603 -0.58545 -0.58540 -0.57333 -0.56631 -0.56623 -0.55971 -0.54598 -0.54556 -0.54551 -0.52593 -0.52570 -0.52568 -0.51607 -0.50959 -0.50954 -0.50670 -0.50665 -0.50430 -0.48654 -0.48561 -0.48556 -0.48148 -0.48142 -0.48060 -0.48059 -0.47879 -0.47334 -0.47100 -0.47098 -0.46807 -0.46798 -0.46507 -0.45571 -0.45564 -0.45558 -0.45246 -0.44488 -0.44417 -0.44408 -0.44183 -0.44177 -0.43985 -0.43735 -0.43723 -0.43275 -0.43269 -0.42739 -0.42338 -0.42211 -0.42063 -0.42059 -0.41667 -0.41661 -0.41493 -0.40596 -0.40465 -0.40454 -0.40230 -0.40225 -0.40150 -0.40142 -0.39460 -0.39136 -0.39129 -0.38629 -0.38621 -0.38499 -0.38205 -0.38042 -0.38027 -0.37805 -0.37376 -0.37376 -0.37254 -0.37164 -0.36953 -0.36950 -0.36813 -0.36809 -0.36805 -0.36322 -0.36317 -0.35516 -0.35204 -0.35201 -0.35066 -0.34636 -0.34446 -0.34409 -0.34400 -0.33798 -0.33787 -0.33645 -0.33641 -0.33530 -0.33224 -0.33216 -0.32971 -0.32460 -0.32451 -0.32342 -0.32151 -0.32139 -0.31303 -0.31226 -0.31225 -0.29306 -0.29201 -0.29184 -0.29181 -0.29038 -0.29034 -0.26150 -0.25971 -0.25896 -0.25435 -0.25434 -0.25206 -0.25204 -0.24891 -0.24842 -0.24833 -0.24565 -0.24559 -0.24433 -0.24182 -0.24180 -0.23754 -0.23465 -0.23463 -0.21334 -0.20967 -0.05410 -0.05402 -0.05166 -0.04564 -0.04392 -0.04383 -0.02309 -0.01924 -0.01337 -0.01331 -0.00772 -0.00763 0.00496 0.00814 0.01003 0.01007 0.01342 0.01703 0.01706 0.02147 0.02176 0.02178 0.02417 0.02450 0.02454 0.02997 0.03159 0.03161 0.03233 0.03374 0.03385 0.03478 0.03709 0.03717 0.03811 0.04237 0.04244 0.04526 0.04544 0.04558 0.04864 0.05023 0.05027 0.05200 0.05507 0.05550 0.05557 0.06193 0.06199 0.06211 0.06632 0.06666 0.06681 0.06775 0.06902 0.06905 0.07445 0.07464 0.07477 0.07714 0.07737 0.07918 0.08102 0.08215 0.08230 0.08895 0.08909 0.08966 0.09038 0.09049 0.09456 0.09819 0.09973 0.09977 0.10028 0.10310 0.10399 0.10418 0.10653 0.10666 0.10797 0.11373 0.11391 0.11399 0.11476 0.11499 0.11618 0.11801 0.11823 0.12092 0.12115 0.12306 0.12479 0.12732 0.12736 0.12924 0.13113 0.13123 0.13350 0.13367 0.13524 0.13678 0.13945 0.13961 0.14092 0.14128 0.14143 0.14330 0.14522 0.14557 0.14584 0.14822 0.14852 0.14866 0.15243 0.15279 0.15330 0.15551 0.15579 0.15608 0.15702 0.15724 0.16050 0.16339 0.16505 0.16544 0.16568 0.16849 0.16875 0.17092 0.17136 0.17158 0.17207 0.17339 0.17375 0.17627 0.17682 0.17700 0.17743 0.17791 0.17817 0.18164 0.18175 0.18205 0.18470 0.18479 0.18562 0.18872 0.18883 0.19025 0.19204 0.19228 0.19254 0.19328 0.19351 0.19468 0.19482 0.19500 0.19590 0.19660 0.19802 0.19827 0.19967 0.19990 0.20251 0.20451 0.20483 0.20528 0.20683 0.20737 0.20752 0.20833 0.20850 0.21089 0.21155 0.21230 0.21317 0.21436 0.21703 0.21713 0.21799 0.21991 0.22022 0.22062 0.22219 0.22234 0.22263 0.22537 0.22574 0.22579 0.22771 0.22789 0.22824 0.22979 0.23010 0.23296 0.23321 0.23394 0.23575 0.23591 0.23606 0.23620 0.23657 0.23980 0.24000 0.24026 0.24190 0.24209 0.24257 0.24426 0.24644 0.24749 0.24778 0.24949 0.24999 0.25005 0.25137 0.25169 0.25175 0.25410 0.25453 0.25510 0.25534 0.25562 0.25893 0.25948 0.25952 0.26012 0.26171 0.26212 0.26324 0.26359 0.26530 0.26644 0.26682 0.26698 0.26818 0.26853 0.26966 0.27045 0.27085 0.27155 0.27329 0.27339 0.27500 0.27631 0.27668 0.27684 0.27914 0.27980 0.28060 0.28211 0.28258 0.28355 0.28462 0.28500 0.28695 0.28772 0.28809 0.28982 0.29133 0.29161 0.29270 0.29434 0.29444 0.29472 0.29655 0.29673 0.29684 0.29849 0.29861 0.29937 0.30010 0.30152 0.30193 0.30475 0.30530 0.30852 0.30934 0.30996 0.31016 0.31234 0.31254 0.31280 0.31308 0.31718 0.31725 0.32006 0.32056 0.32078 0.32242 0.32301 0.32332 0.32374 0.32621 0.32648 0.32698 0.32914 0.32960 0.32986 0.33139 0.33283 0.33295 0.33414 0.33683 0.33772 0.33816 0.33881 0.33914 0.34123 0.34327 0.34367 0.34542 0.34577 0.34627 0.34843 0.34858 0.34946 0.35189 0.35194 0.35242 0.35613 0.35635 0.35854 0.35905 0.35937 0.36324 0.36532 0.36554 0.36641 0.36673 0.36874 0.36935 0.36966 0.37237 0.37305 0.37373 0.37471 0.37681 0.37737 0.37950 0.38097 0.38160 0.38330 0.38547 0.38564 0.39047 0.39105 0.39197 0.39315 0.39648 0.39691 0.39730 0.40029 0.40109 0.40168 0.40349 0.40489 0.40527 0.40558 0.40699 0.40720 0.40909 0.40942 0.41062 0.41232 0.41839 0.41912 0.42256 0.42292 0.42371 0.42377 0.42457 0.42622 0.42907 0.43140 0.43173 0.43568 0.43590 0.43772 0.43928 0.43989 0.44251 0.44593 0.44650 0.44799 0.45154 0.45422 0.45442 0.45594 0.45829 0.45937 0.46293 0.46314 0.46370 0.46651 0.46704 0.46782 0.47064 0.47107 0.47791 0.47852 0.47919 0.48140 0.48190 0.48206 0.48254 0.49055 0.49084 0.49353 0.49380 0.49449 0.49661 0.49705 0.49899 0.50350 0.50681 0.50926 0.50995 0.51640 0.51873 0.51966 0.52361 0.52685 0.52857 0.52895 0.53353 0.53576 0.53623 0.54832 0.54927 0.55127 0.55711 0.55795 0.55901 0.56084 0.56143 0.56539 0.56881 0.57015 0.57779 0.57994 0.59073 0.59136 0.61117 0.61311 0.61318 0.61583 0.61638 0.61962 0.63191 0.63221 0.63745 0.64483 0.64594 0.64623 0.69293 0.69307 0.70137 0.70300 0.70417 0.70439 0.71487 0.71572 0.71821 0.71999 0.72044 0.72183 0.72697 0.72725 0.73065 0.73072 0.73692 0.74024 0.74326 0.74354 0.74407 0.74901 0.74926 0.75235 0.75445 0.75460 0.75584 0.75780 0.75820 0.75824 0.76193 0.76468 0.76499 0.76656 0.76675 0.76871 0.77078 0.77119 0.77354 0.77590 0.77634 0.77806 0.78240 0.78268 0.78392 0.78406 0.78746 0.78888 0.79077 0.79327 0.79353 0.79636 0.79705 0.79763 0.80350 0.80421 0.80575 0.80618 0.80650 0.81099 0.81287 0.81335 0.81480 0.81538 0.81631 0.82114 0.82151 0.82705 0.82883 0.82932 0.83004 0.83174 0.83199 0.83237 0.83550 0.83835 0.83876 0.84394 0.84455 0.84495 0.84708 0.84746 0.84795 0.85200 0.85471 0.85576 0.85950 0.86155 0.86557 0.86599 0.87105 0.87305 0.87381 0.88023 0.88171 0.88278 0.88335 0.88461 0.88595 0.89122 0.89173 0.89422 0.89478 0.89513 0.90197 0.90429 0.90534 0.91197 0.91245 0.91546 0.91681 0.91820 0.91883 0.92319 0.92397 0.92522 0.92977 0.93071 0.93143 0.93510 0.94062 0.94078 0.94222 0.94801 0.94865 0.94883 0.95107 0.95179 0.95269 0.95545 0.95622 0.95712 0.96710 0.96760 0.97196 0.97296 0.97602 0.97972 0.98053 0.98124 0.99074 0.99402 0.99475 0.99724 0.99823 1.00034 1.00485 1.00862 1.00937 1.01060 1.01771 1.02129 1.02152 1.02397 1.02447 1.02691 1.02730 1.02831 1.03685 1.03744 1.03954 1.04271 1.04645 1.04712 1.04986 1.05043 1.05157 1.05236 1.05341 1.05706 1.05887 1.06181 1.06333 1.06395 1.06591 1.06919 1.06981 1.07754 1.07808 1.08248 1.08334 1.08685 1.09360 1.09504 1.09537 1.10131 1.10307 1.10350 1.10507 1.10542 1.10840 1.10881 1.11373 1.11500 1.11762 1.12237 1.12321 1.12342 1.13233 1.13278 1.13349 1.13982 1.14053 1.14454 1.14830 1.14891 1.15284 1.15726 1.15776 1.16172 1.16220 1.16244 1.17149 1.17261 1.17322 1.17471 1.17847 1.17911 1.18191 1.18467 1.18564 1.18616 1.18982 1.19116 1.19162 1.19365 1.19402 1.19483 1.19980 1.20030 1.20519 1.20932 1.21012 1.21274 1.21689 1.21746 1.21850 1.21957 1.22760 1.22808 1.22969 1.23008 1.23064 1.23567 1.23710 1.24055 1.24428 1.24462 1.24551 1.25171 1.25245 1.25352 1.25648 1.25947 1.25972 1.26584 1.26677 1.26703 1.27497 1.27513 1.27657 1.27806 1.27861 1.27939 1.28438 1.28629 1.28686 1.29625 1.29697 1.29941 1.30001 1.30144 1.30240 1.30483 1.30667 1.30784 1.31270 1.31379 1.31419 1.31626 1.32200 1.32326 1.32656 1.33252 1.33349 1.33436 1.34055 1.34128 1.34170 1.35195 1.35216 1.35555 1.35596 1.35625 1.35933 1.36633 1.36659 1.37109 1.37238 1.37265 1.38302 1.38741 1.38778 1.38877 1.39001 1.39020 1.39698 1.40105 1.40225 1.40295 1.41042 1.41492 1.41510 1.41967 1.42485 1.42649 1.44119 1.44148 1.44288 1.44670 1.44765 1.44913 1.45526 1.45633 1.46162 1.46765 1.46985 1.47118 1.47618 1.48329 1.48353 1.48549 1.48599 1.48611 1.48972 1.49014 1.49355 1.49994 1.50034 1.50200 1.50595 1.50900 1.50914 1.50967 1.51223 1.51240 1.51565 1.52206 1.52260 1.52520 1.52548 1.52647 1.53478 1.53651 1.53718 1.54236 1.54412 1.54485 1.55201 1.55249 1.55386 1.55962 1.56492 1.56615 1.57255 1.57425 1.57839 1.58254 1.58420 1.58463 1.59738 1.59890 1.60429 1.61037 1.61607 1.61757 1.61899 1.62548 1.62744 1.65203 1.65281 1.65614 1.66042 1.66136 1.66798 1.67820 1.67894 1.67955 1.68926 1.69341 1.69595 1.69704 1.70864 1.70942 1.71597 1.71683 1.72000 1.74448 1.74913 1.75864 1.76020 1.77014 1.77033 1.77057 1.77505 1.78000 1.78035 1.79890 1.79936 1.80872 1.81085 1.81170 1.81581 1.81626 1.81632 1.82132 1.82224 1.82406 1.82950 1.83028 1.84270 1.84768 1.84785 1.84901 1.86178 1.86252 1.86326 1.87026 1.87168 1.87222 1.87569 1.87615 1.87852 1.88359 1.88411 1.89172 1.89202 1.89242 1.89641 1.89955 1.89986 1.90808 1.90825 1.90926 1.91387 1.92368 1.92734 1.92759 1.93149 1.93318 1.93340 1.93715 1.94029 1.94055 1.94345 1.94368 1.95367 1.95668 1.95724 1.96543 1.96561 1.97476 1.97489 1.97506 1.98112 1.98316 1.98341 1.98449 1.99110 1.99754 1.99926 1.99985 2.00385 2.00417 2.00440 2.00905 2.01165 2.01193 2.01779 2.01846 2.01946 2.02445 2.02478 2.02524 2.03073 2.03101 2.03227 2.03882 2.03919 2.03955 2.04919 2.05236 2.05363 2.05387 2.06152 2.06817 2.06885 2.08372 2.09021 2.09033 2.09341 2.09802 2.09829 2.10976 2.11030 2.11278 2.11691 2.11707 2.12957 2.13007 2.13052 2.13524 2.13607 2.13628 2.13771 2.14697 2.14913 2.14951 2.15199 2.15233 2.15740 2.15806 2.15876 2.16577 2.16865 2.16999 2.17024 2.18184 2.18201 2.18651 2.19005 2.19024 2.19500 2.19525 2.19578 2.20434 2.20460 2.20479 2.21386 2.21401 2.21420 2.22366 2.22624 2.22698 2.23922 2.24332 2.24378 2.24826 2.25048 2.25049 2.26308 2.26330 2.26501 2.26725 2.26731 2.27509 2.27532 2.27842 2.28426 2.29898 2.30034 2.30079 2.30594 2.30629 2.30923 2.31096 2.31151 2.31252 2.31550 2.31593 2.31644 2.31846 2.31875 2.32394 2.32462 2.34534 2.35810 2.35968 2.36001 2.36787 2.36841 2.37270 2.38107 2.38752 2.38950 2.38973 2.39909 2.39956 2.39967 2.40019 2.40635 2.40696 2.41216 2.41791 2.41835 2.42133 2.42329 2.42356 2.43151 2.43199 2.43666 2.43997 2.44019 2.44223 2.44748 2.44773 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3.28138 3.43149 3.43152 3.43490 3.43788 3.43874 3.43891 4.26973 4.29160 4.29844 4.29894 4.30286 4.31953 4.32587 4.32701 4.33207 4.35369 4.35479 4.35806 4.37044 4.37082 4.39102 4.39206 4.40383 4.40438 4.41061 4.41162 4.41186 4.41587 4.42720 4.42898 4.42962 4.44392 4.44957 4.44998 4.45466 4.45896 4.45938 4.46376 4.46826 4.47494 4.47531 4.48473 4.48531 4.49305 4.49768 4.49805 4.50283 4.50882 4.50960 4.52095 4.52741 4.53574 4.53664 4.54421 4.56188 4.56289 4.56940 4.59758 4.59863 4.61632 4.61652 4.62414 4.64881 4.64999 4.67377 4.72523 4.72578 4.72942 4.76491 4.76638 4.76794 4.78569 4.78697 4.79882 4.79905 4.80037 4.82128 4.85676 4.85794 4.88567 -2.4903 -0.5016 -0.5185 2.5927 -334.8748 -439.8635 -441.1483 23.2710 19.7069 4.0912 70.4207 -34.5679 -35.8528 23.2710 19.7069 4.0912 6248.2260 2745.3696 -256.7984 2627.4987 458.4692 -340.2612 2696.4612 948.6524 -132.6236 -64.8663 -117198.0860 -30131.3097 -18689.7891 -12506.4306 2020.1993 -19305.5926 -68.6612 -1112.2702 96.2187 -27581.0971 -27380.1043 -8487.8339 982.8175 -469.8392 -6569.7329 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 904.7598000000012 AuxInfo=1/0/N:6,7,48,81,49,80,15,121,57,89,115,127,13,122,55,87,116,128,16,119,58,90,113,125,5,8,47,82,50,79,12,118,54,86,112,124,9,10,51,84,52,83,40,108,37,34,109,110,11,120,53,85,114,126,14,117,56,88,111,123,4,3,46,77,45,78,1,2,43,76,44,75,33,107/E:(1,2,3,4,5,6)(7,8,9,10,11,12)(13,14,15,16,17,18)(19,20,21,22,23,24)(25,26,27,28,29,30)(31,32,33,34,35,36)(37,38,39,40,41,42)(43,44,45,46,47,48)(49,50,51,52,53,54)(55,56,57,58,59,60)(61,62,63,64,65,66)(67,68,69,70,71,72)(73,74)/CRV:7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,31.3,32.3,33.3,34.3,35.3,36.3,37.3,38.3,39.3,40.3,41.3,42.3,49.3,50.3,51.3,52.3,53.3,54.3,55.3,56.3,57.3,58.3,59.3,60.3,67.2,68.2,69.2,70.2,71.2,72.2/rA:146N2N2CCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHNCHHCHHCHHN2N2CCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHN2N2CCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHNCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;s2;s1s3;s4;s5;s6;s3s7;s1;s2;s9;s11;s11;s12;s13;s14s15;s5;s4;s3;s6;s6;s7;s7;s8;s8;s5;s9;s10;s12;s13;s15;s16;;s33;s34;s34;s33;s37;s37;s14s33;s40;s40;;;s44;s43s45;s46;s47;s48;s45s49;s43;s44;s51;s53;s53;s37s54;s55;s56s57;s47;s46;s45;s48;s48;s49;s49;s50;s50;s47;s51;s52;s54;s55;s57;s58;;;s76;s75s77;s78;s79;s80;s77s81;s75;s76;s84;s85;s85;s34s86;s87;s88s89;s79;s78;s77;s80;s80;s81;s81;s82;s82;s79;s83;s84;s86;s87;s89;s90;;s107;s107;s107;s109;s111;s111;s52s112;s113;s114s115;s108;s117;s117;s10s118;s119;s120s121;s110;s123;s123;s83s124;s125;s126s127;s108;s108;s109;s109;s110;s110;s112;s113;s115;s116;s118;s119;s121;s122;s124;s125;s127;s128;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.0298400 0.0192268 0.0192028 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1462 1448 1460 1460 1462 MxSgAt= 146 MxSgA2= 146. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. NBasis= 1550 RedAO= T EigKep= 1.05D-06 NBF= 1550 NBsUse= 1535 1.00D-06 EigRej= 8.95D-07 NBFU= 1535 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1445 1429 1436 1437 1445 MxSgAt= 146 MxSgA2= 146. 1 -9.79751966e-01 -1.97352131e-01 -2.03981890e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7 6 1 1 6 1 1 6 1 1 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.000246458 -0.000199762 -0.000749429 -0.000680283 0.000388455 -0.000688823 -0.000442060 0.000359980 0.000432690 0.000445857 0.000104920 0.000099671 -0.000452899 -0.000105147 0.000418449 -0.000314299 -0.000029146 0.001042202 0.000045547 0.000595319 0.000808198 -0.000133218 0.000798027 0.000259131 -0.001037414 -0.000965796 -0.000365562 0.000729380 0.001180527 -0.000734493 -0.000003875 0.000386137 0.000591095 0.000166453 -0.000064182 0.001264594 0.000485965 0.000611238 0.000501818 -0.000917952 -0.000305364 0.000560878 -0.001063558 0.001307725 0.000960839 -0.001324432 -0.000379985 0.000148035 -0.000236823 -0.000309394 0.000277806 -0.000487113 -0.000087387 0.000132459 0.000176066 0.000516670 -0.000376699 -0.000450552 0.000092676 0.000803832 0.000001401 -0.000135709 0.000554783 -0.000209543 0.000439201 0.000598618 0.000424019 0.000356612 0.000577352 -0.000437014 0.000760686 0.000344867 0.000095748 0.000778643 0.000082928 -0.000141153 -0.000257247 0.000103693 0.000326871 0.000435795 0.000385361 -0.000484702 0.000200962 0.000195921 0.000121560 0.000224109 0.000205936 -0.000474471 0.000633302 0.000403203 -0.000379526 0.000454780 0.000302918 -0.000706770 0.000220885 0.000121012 -0.001532325 -0.000311971 -0.000335503 0.000191911 -0.000428507 -0.000896215 -0.000878087 -0.000199816 0.000116532 -0.000166320 -0.000695360 -0.000375277 -0.000270500 0.000961982 0.000036613 -0.000746998 -0.000398083 -0.000342711 -0.000379316 0.000523084 -0.000471375 -0.000158275 -0.000571179 0.000816160 -0.000852543 0.000112548 -0.000307893 -0.000501074 -0.000034654 0.000620697 0.000017962 -0.000596498 0.000564463 -0.000522878 -0.000846317 -0.000314308 -0.000165452 0.000182256 -0.000665448 0.000435659 0.000054165 0.000100632 -0.000397968 0.000367462 -0.000289566 -0.000159700 0.000924572 -0.000563383 0.000408748 0.000462554 -0.000791488 0.000272093 -0.000130236 -0.000788904 -0.001369333 0.000057953 0.000452958 0.001065596 -0.001113081 -0.000256116 0.000258425 0.000343519 -0.000553366 0.000309442 0.001137920 -0.000417626 0.000761043 0.000222752 -0.000477548 -0.000860457 0.000564730 -0.000418545 -0.000219859 0.000186267 -0.001913035 -0.001318001 0.000185163 -0.000380015 -0.000311427 0.000348100 0.000012407 -0.000458091 0.000077670 -0.000200613 0.000341940 -0.000568889 -0.000148243 -0.000248056 0.000649779 -0.000625149 -0.000001908 0.000546190 -0.000138348 0.000089908 0.000326557 -0.000696744 0.000599157 0.000376819 -0.000351825 0.000008669 -0.000066576 -0.000941747 0.000442805 -0.000255381 -0.000602451 -0.000233279 0.000189655 0.000103849 0.000534840 0.000173708 -0.000376682 -0.000346194 0.000042929 -0.000478530 0.000215310 0.000073258 -0.000254115 -0.000079522 0.000039436 -0.000883456 -0.000096865 0.000040093 -0.000653722 -0.000524171 -0.000049711 -0.000548452 -0.000886601 0.000087638 0.000532701 -0.000150448 0.000746291 0.000162293 0.000446760 0.000083505 0.000122527 -0.000156038 -0.000682347 0.000065596 0.000069253 -0.000619774 0.000587020 0.000466890 -0.000870480 0.000199160 0.000198900 -0.000925556 -0.000506476 -0.000209981 -0.000453443 -0.000340348 0.000412950 0.000357303 0.001435465 -0.001122773 0.000262092 -0.000885406 0.000294860 -0.000624956 0.000085626 0.000723929 -0.000832586 -0.000551780 0.000707520 -0.000456234 0.000387148 -0.000586007 -0.000708031 -0.000633451 -0.000374257 -0.001798531 0.000580419 -0.001136718 -0.000533926 -0.000572796 0.000178294 -0.000367324 0.000674749 0.000013775 0.000162561 0.000648675 -0.000378673 -0.000285379 -0.000217642 0.000681956 -0.000432820 0.000123212 0.000124673 -0.000753045 0.000113461 0.000250608 -0.000375349 -0.000350518 -0.000013856 -0.000869984 -0.000328412 -0.000107283 -0.000052776 -0.000291158 -0.000102902 -0.000192904 -0.000437796 -0.000172128 -0.000796242 0.000475860 -0.000347200 -0.000471726 0.000038905 0.000475770 -0.000363090 0.000273877 0.000204504 -0.000177390 0.000131447 -0.000176844 -0.000804375 0.000314140 -0.000158602 -0.000608688 0.000217254 -0.000565779 -0.000504303 0.000047747 0.002125928 0.000391291 0.000461126 -0.000511787 0.001126359 0.000734063 0.000156681 0.000122963 -0.001426535 -0.000031354 -0.001321059 0.000589728 0.000846969 0.000159335 -0.000380479 0.000464899 -0.000371341 -0.001009029 0.001431779 -0.000278932 -0.000045967 0.000558837 -0.000066455 -0.000709468 0.001139629 -0.001407772 -0.000296281 -0.000372314 -0.000139958 -0.001298683 0.000587509 0.000635904 0.000432561 -0.000067002 0.001164362 0.000178244 0.001201352 0.000801695 -0.000041231 0.000152417 0.000837840 0.000313714 0.000764191 0.001372672 -0.000939345 -0.000896639 0.000921899 0.000421101 0.000758125 -0.000347444 0.000448055 0.000123209 -0.000703898 0.000929444 0.001150737 0.000201713 0.000900123 0.000340014 -0.000544643 0.000603583 0.000345065 0.000461787 0.001730492 -0.000553342 -0.001115262 0.000507708 0.000275375 0.000569690 0.000102331 0.000885383 -0.000072572 -0.000139936 0.000524117 -0.000149192 -0.000365226 0.000709949 -0.000012074 0.000529572 0.000337746 -0.000209504 0.000518023 0.000706031 0.000543403 0.000106456 0.000171057 0.000087155 -0.000129517 0.000556023 -0.000478742 0.000212240 0.000328124 -0.000650734 0.000064516 0.000020070 -0.000551209 -0.000161937 0.000118528 0.000113955 0.000185999 0.000544421 0.000290354 -0.000447043 0.000266858 0.000380193 -0.000564814 -0.000093896 0.000357717 -0.000421852 0.000199650 -0.000118021 0.000029289 0.000312323 0.000453790 0.000523939 0.000016916 0.000377475 0.000625115 -0.000240705 0.000116738 0.000499224 0.002125928 0.000572963 (Enter /opt/share/sw/Gaussian/g16/l716.exe) Closed 1 1 1 -2996.54059332387 -2996.54059431445 -0.000000990574 -2996.54059431291 0.000000001532 -2996.54059432733 -0.000000014419 -2996.54059432820 -0.000000000866 -2996.54059432756 0.000000000635 -2996.54059432797 -0.000000000407 -2996.54059432762 0.000000000355 -2996.54059433 8 2.967355403769e+03 -3.023212864166e+04 1.262300634540e+04 Using DIIS extrapolation, IDIIS= 1040. NGot= 8589934592 LenX= 8585088992 LenY= 8582684942 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. (Enter /opt/share/sw/Gaussian/g16/l716.exe) PT382575.100S Sat Oct 22 07:59:41 2022 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 N N C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H N C H H C H H C H H N N C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H N N C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H N C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H 0.316705 0.225059 -0.165016 -0.188680 -0.218647 -0.713743 -0.455710 -0.519837 -0.342053 -0.613045 0.653241 -0.566532 -0.036077 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2.36056 2.36561 2.36833 2.36853 2.37577 2.37598 2.37763 2.37907 2.38787 2.38794 2.39853 2.39864 2.40335 2.41030 2.41275 2.41295 2.41705 2.41714 2.41724 2.42233 2.42714 2.42735 2.43644 2.43649 2.45181 2.45199 2.45279 2.45748 2.46418 2.46429 2.46809 2.46896 2.46926 2.47957 2.47990 2.48199 2.49043 2.49048 2.49901 2.50536 2.51136 2.51151 2.52447 2.53405 2.55501 2.55541 2.55822 2.57019 2.57076 2.57537 2.58940 2.58946 2.60038 2.60059 2.60913 2.61539 2.61908 2.61944 2.62300 2.63929 2.64245 2.64252 2.65730 2.65848 2.65855 2.66224 2.66497 2.66512 2.67504 2.68228 2.68491 2.68503 2.69334 2.69348 2.69425 2.69632 2.69657 2.70615 2.70622 2.71373 2.71393 2.71714 2.72185 2.74188 2.74811 2.74835 2.75323 2.75352 2.75501 2.78304 2.78326 2.78793 2.79905 2.79922 2.80013 2.80025 2.80042 2.81314 2.81396 2.81405 2.81831 2.81850 2.82076 2.83064 2.83222 2.83327 2.83341 2.83485 2.83993 2.84020 2.85299 2.85317 2.85551 2.86732 2.86745 2.87221 2.87809 2.87836 2.89167 2.89195 2.91206 2.93265 2.95402 2.95429 2.97543 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51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 N N C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H N C H H C H H C H H N N C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H N N C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H N C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H 0.245417 0.165340 -0.012542 -0.483640 -0.225502 -0.664788 -0.445915 -0.286707 -0.301410 -0.350461 0.267716 -0.663433 0.305192 0.453561 -0.509398 -0.232894 0.199232 0.177823 0.176517 0.215951 0.198474 0.196284 0.216391 0.227095 0.204686 0.231715 0.178683 0.177140 0.216743 0.222373 0.208377 0.203055 0.208894 -1.010516 0.204133 0.244610 -1.013620 0.204240 0.244659 -1.008283 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First fragment in Amendola Capsule Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14 12 1 1 12 1 1 12 1 1 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 0 1 1 0 1 1 0 1 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 4.5500000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /opt/share/sw/Gaussian/g16/l101.exe) Structure from the checkpoint file: "CTAC_B3LYP_6-31plGd_chloroformSMD_ener_opt_freq.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 R91 R92 R93 R94 R95 R96 R97 R98 R99 R100 R101 R102 R103 R104 R105 R106 R107 R108 R109 R110 R111 R112 R113 R114 R115 R116 R117 R118 R119 R120 R121 R122 R123 R124 R125 R126 R127 R128 R129 R130 R131 R132 R133 R134 R135 R136 R137 R138 R139 R140 R141 R142 R143 R144 R145 R146 R147 R148 R149 R150 R151 R152 R153 R154 R155 R156 1 1 2 2 3 3 3 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 33 33 33 34 34 34 37 37 37 40 40 43 43 44 44 45 45 45 46 46 47 47 47 48 48 48 49 49 49 50 50 51 51 52 52 53 53 54 54 55 55 56 57 57 58 75 75 76 76 77 77 77 78 78 79 79 79 80 80 80 81 81 81 82 82 83 83 84 84 85 85 86 86 87 87 88 89 89 90 107 107 107 108 108 108 109 109 109 110 110 110 111 111 112 112 113 113 114 115 115 116 117 117 118 118 119 119 120 121 121 122 123 123 124 124 125 125 126 127 127 128 4 9 3 10 4 8 19 5 18 6 17 26 7 20 21 8 22 23 24 25 11 27 28 120 12 13 14 29 15 30 16 40 16 31 32 34 37 40 35 36 88 38 39 56 41 42 46 51 45 52 46 50 61 47 60 48 59 68 49 62 63 50 64 65 66 67 53 69 70 114 54 55 56 71 57 72 58 58 73 74 78 83 77 84 78 82 93 79 92 80 91 100 81 94 95 82 96 97 98 99 101 126 85 102 86 87 88 103 89 104 90 90 105 106 108 109 110 117 129 130 111 131 132 123 133 134 112 113 114 135 115 136 116 116 137 138 118 119 120 139 121 140 122 122 141 142 124 125 126 143 127 144 128 128 145 146 1.4625 1.2766 1.4627 1.2764 1.5558 1.5453 1.103 1.5452 1.103 1.5358 1.098 1.0975 1.5359 1.0987 1.0984 1.5356 1.0984 1.0986 1.0979 1.098 1.4752 1.1026 1.1026 1.4768 1.4019 1.4079 1.4019 1.0871 1.3922 1.086 1.3995 1.5189 1.4034 1.0874 1.0883 1.4698 1.4699 1.47 1.106 1.0963 1.5188 1.1061 1.0963 1.519 1.1061 1.0963 1.4624 1.2766 1.4627 1.2764 1.556 1.5453 1.103 1.5451 1.1031 1.5357 1.0979 1.0975 1.5358 1.0987 1.0984 1.5357 1.0984 1.0986 1.0979 1.098 1.4753 1.1025 1.1026 1.4768 1.402 1.4079 1.4019 1.0871 1.3922 1.086 1.3995 1.4033 1.0874 1.0883 1.4624 1.2764 1.4623 1.2767 1.5561 1.545 1.103 1.5452 1.103 1.5356 1.0979 1.0979 1.5358 1.0986 1.0984 1.5356 1.0984 1.0987 1.0975 1.0979 1.1027 1.4767 1.4751 1.1027 1.4019 1.4079 1.4018 1.0871 1.3922 1.086 1.3995 1.4033 1.0874 1.0883 1.477 1.477 1.4772 1.5178 1.0933 1.1062 1.5176 1.0934 1.1063 1.5176 1.0933 1.1063 1.3993 1.4041 1.4038 1.0866 1.3989 1.0881 1.4058 1.3953 1.0872 1.0882 1.3993 1.4042 1.4038 1.0866 1.3988 1.0882 1.4057 1.3953 1.0872 1.0881 1.3993 1.4042 1.4038 1.0866 1.3988 1.0881 1.4057 1.3953 1.0872 1.0881 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 A190 A191 A192 A193 A194 A195 A196 A197 A198 A199 A200 A201 A202 A203 A204 A205 A206 A207 A208 A209 A210 A211 A212 A213 A214 A215 A216 A217 A218 A219 A220 A221 A222 A223 A224 A225 A226 A227 A228 A229 A230 A231 A232 A233 A234 A235 A236 A237 A238 A239 A240 A241 A242 A243 A244 A245 A246 A247 A248 A249 A250 A251 A252 A253 A254 A255 A256 A257 A258 A259 A260 A261 A262 A263 A264 A265 A266 A267 A268 A269 A270 A271 A272 A273 A274 A275 A276 A277 A278 A279 A280 A281 A282 4 3 2 2 2 4 4 8 1 1 1 3 3 5 4 4 4 6 6 17 5 5 5 7 7 20 6 6 6 8 8 22 3 3 3 7 7 24 1 1 11 2 2 28 9 9 12 11 11 14 11 11 15 12 12 16 13 13 16 14 14 15 34 34 37 33 33 33 35 35 36 33 33 33 38 38 39 14 14 14 33 33 41 46 45 44 44 44 46 46 50 43 43 43 45 45 47 46 46 46 48 48 59 47 47 47 49 49 62 48 48 48 50 50 64 45 45 45 49 49 66 43 43 53 44 44 70 51 51 54 53 53 56 53 53 57 37 37 54 55 55 58 56 56 57 78 77 76 76 76 78 78 82 75 75 75 77 77 79 78 78 78 80 80 91 79 79 79 81 81 94 80 80 80 82 82 96 77 77 77 81 81 98 75 75 101 76 76 85 84 84 86 85 85 88 85 85 89 34 34 86 87 87 90 88 88 89 108 108 109 107 107 107 117 117 129 107 107 107 111 111 131 107 107 107 123 123 133 109 109 112 111 111 114 111 111 115 52 52 112 113 113 116 114 114 115 108 108 118 117 117 120 117 117 121 10 10 118 119 119 122 120 120 121 110 110 124 123 123 126 123 123 127 83 83 124 125 125 128 126 126 127 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 33 33 33 34 34 34 34 34 34 37 37 37 37 37 37 40 40 40 40 40 40 43 44 45 45 45 45 45 45 46 46 46 46 46 46 47 47 47 47 47 47 48 48 48 48 48 48 49 49 49 49 49 49 50 50 50 50 50 50 51 51 51 52 52 52 53 53 53 54 54 54 55 55 55 56 56 56 57 57 57 58 58 58 75 76 77 77 77 77 77 77 78 78 78 78 78 78 79 79 79 79 79 79 80 80 80 80 80 80 81 81 81 81 81 81 82 82 82 82 82 82 83 83 83 84 84 84 85 85 85 86 86 86 87 87 87 88 88 88 89 89 89 90 90 90 107 107 107 108 108 108 108 108 108 109 109 109 109 109 109 110 110 110 110 110 110 111 111 111 112 112 112 113 113 113 114 114 114 115 115 115 116 116 116 117 117 117 118 118 118 119 119 119 120 120 120 121 121 121 122 122 122 123 123 123 124 124 124 125 125 125 126 126 126 127 127 127 128 128 128 9 10 4 8 19 8 19 19 3 5 18 5 18 18 6 17 26 17 26 26 7 20 21 20 21 21 8 22 23 22 23 23 7 24 25 24 25 25 11 27 27 28 120 120 12 13 13 14 29 29 15 30 30 16 40 40 16 31 31 15 32 32 37 40 40 35 36 88 36 88 88 38 39 56 39 56 56 33 41 42 41 42 42 51 52 46 50 61 50 61 61 45 47 60 47 60 60 48 59 68 59 68 68 49 62 63 62 63 63 50 64 65 64 65 65 49 66 67 66 67 67 53 69 69 70 114 114 54 55 55 56 71 71 57 72 72 54 58 58 58 73 73 57 74 74 83 84 78 82 93 82 93 93 77 79 92 79 92 92 80 91 100 91 100 100 81 94 95 94 95 95 82 96 97 96 97 97 81 98 99 98 99 99 101 126 126 85 102 102 86 87 87 88 103 103 89 104 104 86 90 90 90 105 105 89 106 106 109 110 110 117 129 130 129 130 130 111 131 132 131 132 132 123 133 134 133 134 134 112 113 113 114 135 135 115 136 136 112 116 116 116 137 137 115 138 138 118 119 119 120 139 139 121 140 140 118 122 122 122 141 141 121 142 142 124 125 125 126 143 143 127 144 144 124 128 128 128 145 145 127 146 146 117.2697 117.9495 108.1274 110.5562 110.2509 111.6488 108.0656 108.1653 108.9919 110.3296 110.1338 111.5616 107.6113 108.1697 113.4565 108.6195 107.4999 110.6834 109.304 107.0329 111.0064 109.7789 109.4472 109.4491 110.2571 106.8098 110.9449 110.2737 109.4776 109.4486 109.7649 106.8424 113.3695 107.5423 108.6516 109.2849 110.748 107.0018 124.4578 120.8409 114.7013 121.27 123.4375 115.2852 118.0674 122.8244 119.1076 121.7207 119.2073 119.0718 119.712 119.525 120.7625 118.273 120.1468 121.5592 120.4965 119.8564 119.6456 120.6886 119.6181 119.6932 112.0556 112.1078 112.0931 111.5617 107.1576 113.22 106.4763 109.6102 108.5178 111.5405 107.1825 113.2055 106.4776 109.6068 108.5335 113.1489 109.6423 108.5534 111.5448 107.161 106.4998 117.3075 117.8967 108.1226 110.5768 110.2072 111.6884 108.0694 108.1484 109.0087 110.2659 110.1781 111.5581 107.6232 108.167 113.4119 108.6217 107.5294 110.683 109.3262 107.0266 111.006 109.7443 109.4633 109.4604 110.2493 106.8256 110.9588 110.2716 109.4801 109.4324 109.7924 106.8156 113.4193 107.5332 108.6405 109.2731 110.748 106.9795 124.4654 120.8381 114.6965 121.2233 123.476 115.2945 118.052 122.8391 119.1085 121.7186 119.1996 119.0816 119.7104 119.5301 120.7589 120.186 121.5184 118.2721 120.4977 119.8584 119.6426 120.6911 119.6144 119.6944 118.0028 117.2874 108.9831 110.3157 110.1643 111.5852 107.6099 108.1408 108.093 110.588 110.2641 111.6573 108.0388 108.172 113.3752 108.6622 107.516 110.7641 109.2686 107.011 110.9341 109.7656 109.4496 109.4772 110.2833 106.8428 110.9845 110.2613 109.4616 109.4513 109.7796 106.8112 113.4555 107.5005 108.6245 109.2953 110.6953 107.0243 121.2796 123.4147 115.2988 124.4505 120.8355 114.714 118.0658 122.8219 119.1119 121.7106 119.2473 119.042 119.712 119.5254 120.762 120.1721 121.5189 118.2851 120.4941 119.8577 119.6466 120.6849 119.6145 119.7006 111.3512 111.3941 111.3492 113.4112 107.2614 110.7984 108.2423 109.9703 106.8781 113.4618 107.2515 110.7853 108.2197 109.9437 106.8985 113.4405 107.2282 110.7765 108.2289 109.9716 106.9161 119.6735 121.6454 118.6801 121.2518 119.8008 118.9466 120.7264 119.6095 119.6636 121.7984 119.0802 119.1205 120.0088 119.9619 120.0293 120.1739 119.6556 120.1612 119.6744 121.6553 118.6695 121.2538 119.8146 118.9308 120.7344 119.5941 119.671 121.7981 119.078 119.1227 120.0047 119.9652 120.03 120.1757 119.6575 120.1574 119.6597 121.6791 118.6606 121.2649 119.7766 118.9577 120.7354 119.6145 119.6498 121.8074 119.0744 119.1171 120.0066 119.9638 120.0296 120.1758 119.6475 120.1674 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 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D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 D340 D341 D342 D343 D344 D345 D346 D347 D348 D349 D350 D351 D352 D353 D354 D355 D356 D357 D358 D359 D360 D361 D362 D363 D364 D365 D366 D367 D368 D369 D370 D371 D372 D373 D374 D375 D376 D377 D378 D379 D380 D381 D382 D383 D384 D385 D386 D387 D388 D389 D390 D391 D392 D393 D394 D395 D396 D397 D398 D399 D400 D401 D402 D403 D404 D405 D406 D407 D408 D409 D410 D411 D412 D413 D414 D415 D416 D417 D418 D419 D420 D421 D422 D423 D424 D425 D426 D427 D428 D429 D430 D431 D432 9 9 9 4 4 10 10 10 3 3 2 2 2 8 8 8 19 19 19 2 2 2 4 4 4 19 19 19 1 1 1 3 3 3 18 18 18 4 4 4 17 17 17 26 26 26 5 5 5 20 20 20 21 21 21 6 6 6 22 22 22 23 23 23 1 1 27 27 2 2 28 28 9 9 13 13 9 9 12 12 11 11 29 29 11 11 30 30 12 12 40 40 12 12 12 16 16 16 13 13 31 31 37 37 37 40 40 40 34 34 34 40 40 40 34 34 34 37 37 37 33 33 35 35 36 36 33 33 38 38 39 39 51 51 51 46 46 52 52 52 45 45 44 44 44 50 50 50 61 61 61 44 44 44 46 46 46 61 61 61 43 43 43 45 45 45 60 60 60 46 46 46 59 59 59 68 68 68 47 47 47 62 62 62 63 63 63 48 48 48 64 64 64 65 65 65 43 43 69 69 44 44 70 70 51 51 55 55 51 51 54 54 53 53 71 71 53 53 72 72 37 37 54 54 55 55 73 73 83 83 83 78 78 84 84 84 77 77 76 76 76 82 82 82 93 93 93 76 76 76 78 78 78 93 93 93 75 75 75 77 77 77 92 92 92 78 78 78 91 91 91 100 100 100 79 79 79 94 94 94 95 95 95 80 80 80 96 96 96 97 97 97 75 75 101 101 76 76 102 102 84 84 87 87 84 84 86 86 85 85 103 103 85 85 104 104 34 34 86 86 87 87 105 105 109 109 109 110 110 110 108 108 108 110 110 110 108 108 108 109 109 109 107 107 129 129 130 130 107 107 131 131 132 132 107 107 133 133 134 134 109 109 113 113 109 109 112 112 111 111 135 135 111 111 136 136 52 52 112 112 113 113 137 137 108 108 119 119 108 108 118 118 117 117 139 139 117 117 140 140 10 10 118 118 119 119 141 141 110 110 125 125 110 110 124 124 123 123 143 143 123 123 144 144 83 83 124 124 125 125 145 145 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 14 14 15 15 15 15 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 34 34 34 34 34 34 37 37 37 37 37 37 43 43 43 43 43 44 44 44 44 44 45 45 45 45 45 45 45 45 45 45 45 45 45 45 45 45 45 45 46 46 46 46 46 46 46 46 46 47 47 47 47 47 47 47 47 47 48 48 48 48 48 48 48 48 48 49 49 49 49 49 49 49 49 49 51 51 51 51 52 52 52 52 53 53 53 53 53 53 53 53 54 54 54 54 55 55 55 55 56 56 56 56 57 57 57 57 75 75 75 75 75 76 76 76 76 76 77 77 77 77 77 77 77 77 77 77 77 77 77 77 77 77 77 77 78 78 78 78 78 78 78 78 78 79 79 79 79 79 79 79 79 79 80 80 80 80 80 80 80 80 80 81 81 81 81 81 81 81 81 81 83 83 83 83 84 84 84 84 85 85 85 85 85 85 85 85 86 86 86 86 87 87 87 87 88 88 88 88 89 89 89 89 107 107 107 107 107 107 107 107 107 107 107 107 107 107 107 107 107 107 108 108 108 108 108 108 109 109 109 109 109 109 110 110 110 110 110 110 111 111 111 111 111 111 111 111 112 112 112 112 113 113 113 113 114 114 114 114 115 115 115 115 117 117 117 117 117 117 117 117 118 118 118 118 119 119 119 119 120 120 120 120 121 121 121 121 123 123 123 123 123 123 123 123 124 124 124 124 125 125 125 125 126 126 126 126 127 127 127 127 4 4 4 9 9 3 3 3 10 10 4 4 4 4 4 4 4 4 4 8 8 8 8 8 8 8 8 8 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 11 11 11 11 120 120 120 120 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 40 40 40 40 40 40 16 16 16 16 34 34 34 34 34 34 37 37 37 37 37 37 40 40 40 40 40 40 88 88 88 88 88 88 56 56 56 56 56 56 46 46 46 51 51 45 45 45 52 52 46 46 46 46 46 46 46 46 46 50 50 50 50 50 50 50 50 50 47 47 47 47 47 47 47 47 47 48 48 48 48 48 48 48 48 48 49 49 49 49 49 49 49 49 49 50 50 50 50 50 50 50 50 50 53 53 53 53 114 114 114 114 54 54 54 54 55 55 55 55 56 56 56 56 57 57 57 57 58 58 58 58 58 58 58 58 78 78 78 83 83 77 77 77 84 84 78 78 78 78 78 78 78 78 78 82 82 82 82 82 82 82 82 82 79 79 79 79 79 79 79 79 79 80 80 80 80 80 80 80 80 80 81 81 81 81 81 81 81 81 81 82 82 82 82 82 82 82 82 82 126 126 126 126 85 85 85 85 86 86 86 86 87 87 87 87 88 88 88 88 89 89 89 89 90 90 90 90 90 90 90 90 108 108 108 108 108 108 109 109 109 109 109 109 110 110 110 110 110 110 117 117 117 117 117 117 111 111 111 111 111 111 123 123 123 123 123 123 112 112 112 112 113 113 113 113 114 114 114 114 115 115 115 115 116 116 116 116 116 116 116 116 118 118 118 118 119 119 119 119 120 120 120 120 121 121 121 121 122 122 122 122 122 122 122 122 124 124 124 124 125 125 125 125 126 126 126 126 127 127 127 127 128 128 128 128 128 128 128 128 3 5 18 11 27 4 8 19 28 120 1 5 18 1 5 18 1 5 18 7 24 25 7 24 25 7 24 25 6 17 26 6 17 26 6 17 26 7 20 21 7 20 21 7 20 21 8 22 23 8 22 23 8 22 23 3 24 25 3 24 25 3 24 25 12 13 12 13 118 122 118 122 14 29 14 29 15 30 15 30 16 40 16 40 16 31 16 31 15 32 15 32 33 41 42 33 41 42 14 32 14 32 35 36 88 35 36 88 38 39 56 38 39 56 14 41 42 14 41 42 86 90 86 90 86 90 54 58 54 58 54 58 45 47 60 53 69 46 50 61 70 114 43 47 60 43 47 60 43 47 60 49 66 67 49 66 67 49 66 67 48 59 68 48 59 68 48 59 68 49 62 63 49 62 63 49 62 63 50 64 65 50 64 65 50 64 65 45 66 67 45 66 67 45 66 67 54 55 54 55 112 116 112 116 56 71 56 71 57 72 57 72 37 58 37 58 58 73 58 73 57 74 57 74 56 74 56 74 77 79 92 101 126 78 82 93 85 102 75 79 92 75 79 92 75 79 92 81 98 99 81 98 99 81 98 99 80 91 100 80 91 100 80 91 100 81 94 95 81 94 95 81 94 95 82 96 97 82 96 97 82 96 97 77 98 99 77 98 99 77 98 99 124 128 124 128 86 87 86 87 88 103 88 103 89 104 89 104 34 90 34 90 90 105 90 105 89 106 89 106 88 106 88 106 117 129 130 117 129 130 111 131 132 111 131 132 123 133 134 123 133 134 118 119 118 119 118 119 112 113 112 113 112 113 124 125 124 125 124 125 114 135 114 135 115 136 115 136 52 116 52 116 116 137 116 137 115 138 115 138 114 138 114 138 120 139 120 139 121 140 121 140 10 122 10 122 122 141 122 141 121 142 121 142 120 142 120 142 126 143 126 143 127 144 127 144 83 128 83 128 128 145 128 145 127 146 127 146 126 146 126 146 126.9069 -110.2738 9.0683 179.5789 -0.4028 135.6965 -101.8002 17.7542 0.509 179.4824 -165.6965 72.2259 -46.2781 72.4706 -49.607 -168.111 -46.3638 -168.4414 73.0546 -68.1965 170.8782 55.3877 52.2245 -68.7008 175.8087 170.9996 50.0742 -65.4163 -69.2821 54.2549 169.7433 52.0213 175.5583 -68.9533 170.191 -66.2719 49.2165 -54.8859 66.2534 -176.8173 -177.2866 -56.1473 60.782 65.0682 -173.7925 -56.8632 55.1824 176.6121 -66.1124 -66.1507 55.279 172.5545 176.6402 -61.9301 55.3454 -55.0139 64.9238 -177.4424 -176.9267 -56.989 60.6448 66.1119 -173.9504 -56.3166 -178.1053 2.1911 1.8774 -177.8262 16.3018 -163.2931 -164.6687 15.7365 -179.3549 0.4742 0.36 -179.8109 179.4909 -0.2407 -0.2098 -179.9414 -0.1443 -178.5054 -179.9736 1.6653 -0.1477 -179.6933 179.5806 0.035 -0.2209 179.662 178.116 -2.0012 -50.6173 -175.8333 68.1978 131.0765 5.8606 -110.1083 0.369 -179.5138 179.9155 0.0327 -76.6318 39.5463 159.1596 50.4242 166.6023 -73.7844 50.3085 166.4915 -73.8678 -76.7554 39.4276 159.0683 159.262 -76.5546 39.6448 -73.7021 50.4813 166.6806 -50.2813 131.5282 -175.5471 6.2624 68.5495 -109.641 -50.2841 131.5077 -175.5086 6.2832 68.5795 -109.6288 127.0257 -110.1896 9.137 179.4069 -0.5253 134.8948 -102.5431 16.9754 0.5754 179.6309 -165.6605 72.333 -46.1731 72.4591 -49.5474 -168.0534 -46.3803 -168.3868 73.1071 -68.4197 170.6448 55.1908 52.0357 -68.8999 175.6462 170.8282 49.8926 -65.5614 -69.1665 54.3409 169.8385 52.112 175.6194 -68.883 170.2925 -66.2001 49.2975 -55.0224 66.1077 -176.9545 -177.3936 -56.2634 60.6743 64.9556 -173.9143 -56.9765 55.1931 176.6102 -66.1467 -66.1039 55.3132 172.5563 176.6656 -61.9173 55.3258 -54.8523 65.0982 -177.3024 -176.7607 -56.8102 60.7892 66.3038 -173.7457 -56.1463 -177.8148 2.4105 2.121 -177.6536 16.3918 -163.2534 -164.5016 15.8532 -179.4086 0.4511 0.3747 -179.7656 179.5055 -0.2189 -0.2669 -179.9913 -178.3803 -0.1146 1.7598 -179.9745 -0.0925 -179.6613 179.6285 0.0597 177.9884 -2.1194 -0.253 179.6392 0.3591 -179.533 179.9288 0.0367 134.9548 -102.5338 17.0577 0.6709 179.6709 126.4406 -110.7256 8.5912 179.5028 -0.446 -165.5932 72.5518 -46.2788 72.3374 -49.5176 -168.3482 -46.1441 -167.999 73.1703 -69.3077 169.7289 54.2478 51.9908 -68.9726 175.5463 170.1545 49.1912 -66.2899 -68.2488 55.368 170.861 52.1561 175.7728 -68.7342 170.9075 -65.4757 50.0173 -55.0395 66.0791 -176.958 -177.4981 -56.3795 60.5834 64.8572 -174.0242 -57.0613 55.2592 176.7104 -66.0689 -66.0291 55.4221 172.6428 176.6895 -61.8593 55.3614 -54.9362 65.0119 -177.3518 -176.8612 -56.9131 60.7232 66.2049 -173.847 -56.2107 16.1904 -163.4295 -164.7549 15.6251 -177.7301 2.5118 2.2215 -177.5366 -179.4529 0.4202 0.3144 -179.8124 179.5442 -0.1821 -0.2115 -179.9378 -178.325 -0.0766 1.8016 -179.95 -0.1226 -179.6721 179.6002 0.0507 177.9593 -2.149 -0.2643 179.6274 0.3669 -179.5247 179.9174 0.0258 76.975 -163.5699 -47.2587 -158.0683 -38.6133 77.6979 -158.2029 -38.7522 77.5706 76.8153 -163.734 -47.4111 76.6922 -163.874 -47.5482 -158.35 -38.9163 77.4095 78.2261 -102.0835 -40.6665 139.0239 -157.0917 22.5987 78.2326 -102.1419 -40.6634 138.9621 -157.0856 22.5399 78.9228 -101.3468 -39.9373 139.7931 -156.4011 23.3293 -179.5017 0.1676 0.8617 -179.469 178.7028 -1.0504 -1.6681 178.5787 -178.7011 0.944 1.6268 -178.7281 0.6539 -179.2888 -179.593 0.4643 177.6773 -1.2194 -1.9775 179.1258 1.1953 -179.9136 -178.862 0.0291 -179.4225 0.2463 0.8778 -179.4534 178.6221 -1.1241 -1.6844 178.5693 -178.6545 0.9401 1.6738 -178.7316 0.658 -179.2959 -179.5959 0.4502 177.6193 -1.265 -1.9865 179.1292 1.2042 -179.9171 -178.842 0.0368 -179.3749 0.2807 0.8866 -179.4578 178.571 -1.2296 -1.696 178.5034 -178.6752 0.9445 1.6665 -178.7138 0.6592 -179.3218 -179.5403 0.4788 177.6286 -1.2582 -2.0016 179.1115 1.2167 -179.9022 -178.8023 0.0787 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 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analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 6-31+G(d) (6D, 7F) 0.10000e-02 0.10000e-05 F 146 146 146 1.00e+00 60 T IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4 PCM SMD-Coulomb. Total charges None Matrix inversion Chloroform 4.711300 2.090627 0.0298400 0.0192268 0.0192028 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. NBasis= 1550 RedAO= T EigKep= 1.05D-06 NBF= 1550 NBsUse= 1535 1.00D-06 EigRej= 8.95D-07 NBFU= 1535 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1445 1429 1436 1437 1445 MxSgAt= 146 MxSgA2= 146. 1 Closed 1 1 1 -2996.54059432780 -2996.54059433 1 2.967355405255e+03 -3.023212864064e+04 1.262300634289e+04 Using DIIS extrapolation, IDIIS= 1040. NGot= 8589934592 LenX= 8585088992 LenY= 8582684942 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 146. Will process 147 centers per pass.