Gaussian 16 GINC-JIGEN STEFANO First fragment in Amendola Capsule ES64L-G16RevC.02 21-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 0 904.7598000000008 AuxInfo=1/0/N:8,9,24,38,25,37,129,16,142,116,32,45,126,14,139,113,30,43,131,17,144,118,33,46,7,10,23,39,26,36,125,13,138,112,29,42,122,11,135,109,27,40,99,20,101,100,18,19,124,12,137,111,28,41,127,15,140,114,31,44,6,5,22,34,21,35,121,1,134,108,3,4,98,2/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:146N2NN2N2CCCCCCC3C3C3C3C3C3C3CCCCCCCCCC3C3C3C3C3C3C3CCCCCCC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHNCCCHHHHHHN2C3HC3C3C3C3HC3HC3HHN2C3HC3C3C3C3HC3HC3HHN2C3HC3C3C3C3HC3HC3HH/rB:;;;s1;s5;s6;s7;s8;s5s9;s1;s11;s12;s12;s13;s14;s15s16;s2;s2;s2s15;s3;s21;s22;s23;s24;s21s25;s3;s27;s28;s28;s18s29;s30;s31s32;;s4s34;s35;s36;s37;s34s38;s4;s40;s41;s41;s19s42;s43;s44s45;s7;s6;s5;s8;s8;s9;s9;s10;s10;s7;s11;s13;s14;s16;s17;s18;s18;s19;s19;s20;s20;s23;s22;s21;s24;s24;s25;s25;s26;s26;s23;s27;s29;s30;s32;s33;s36;s35;s34;s37;s37;s38;s38;s39;s39;s36;s40;s42;s43;s45;s46;;s98;s98;s98;s99;s99;s100;s100;s101;s101;s34;s108;s109;s109;s111;s111;s100s112;s112;s113;s113;s114s116;s116;s118;s6;s121;s122;s122;s124;s124;s99s125;s125;s126;s126;s127s129;s129;s131;s22;s134;s135;s135;s137;s137;s101s138;s138;s139;s139;s140s142;s142;s144;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /opt/share/sw/Gaussian/g16/l1.exe "/tmp/Gau-29596.inp" -scrdir="/tmp/" chk=CTAT_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 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14 12 12 12 1 1 1 1 1 1 14 12 1 12 12 12 12 1 12 1 12 1 1 14 12 1 12 12 12 12 1 12 1 12 1 1 14 12 1 12 12 12 12 1 12 1 12 1 1 14.0030740 14.0030740 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 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 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 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 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 14.0030740 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 14.0030740 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 2 2 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 0 0 0 1 1 1 1 1 1 2 0 1 0 0 0 0 1 0 1 0 1 1 2 0 1 0 0 0 0 1 0 1 0 1 1 2 0 1 0 0 0 0 1 0 1 0 1 1 4.5500000 4.5500000 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 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 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 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 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 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 4.5500000 3.6000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 4.5500000 3.6000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 4.5500000 3.6000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 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 2 3 3 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 18 18 18 19 19 19 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 27 27 28 28 29 29 30 30 31 32 32 33 34 34 34 34 35 35 36 36 36 37 37 37 38 38 38 39 39 40 40 41 41 42 42 43 43 44 45 45 46 98 98 98 99 99 99 100 100 100 101 101 101 108 109 109 111 111 112 112 113 113 114 116 116 118 121 122 122 124 124 125 125 126 126 127 129 129 131 134 135 135 137 137 138 138 139 139 140 142 142 144 5 11 18 19 20 21 27 35 40 6 10 49 7 48 121 8 47 56 9 50 51 10 52 53 54 55 12 57 13 14 15 58 16 59 17 20 17 60 61 31 62 63 44 64 65 66 67 22 26 70 23 69 134 24 68 77 25 71 72 26 73 74 75 76 28 78 29 30 31 79 32 80 33 33 81 82 35 39 85 108 36 84 37 83 92 38 86 87 39 88 89 90 91 41 93 42 43 44 94 45 95 46 46 96 97 99 100 101 102 103 127 104 105 114 106 107 140 109 110 111 112 113 114 115 116 117 118 118 119 120 122 123 124 125 126 127 128 129 130 131 131 132 133 135 136 137 138 139 140 141 142 143 144 144 145 146 1.4542 1.2745 1.4685 1.4685 1.4683 1.4542 1.2745 1.4541 1.2745 1.5537 1.5403 1.103 1.5395 1.1033 1.4538 1.5345 1.0968 1.0962 1.5347 1.0969 1.0973 1.5344 1.0973 1.097 1.096 1.0968 1.4718 1.1016 1.3986 1.4068 1.3999 1.0878 1.3886 1.085 1.3967 1.5105 1.4009 1.0865 1.0873 1.5106 1.1051 1.094 1.5108 1.1051 1.0941 1.1051 1.0941 1.5536 1.5402 1.1031 1.5395 1.1032 1.4537 1.5345 1.0968 1.0961 1.5348 1.097 1.0973 1.5344 1.0973 1.097 1.096 1.0968 1.4718 1.1018 1.3986 1.4068 1.4001 1.0878 1.3885 1.085 1.3967 1.4009 1.0865 1.0873 1.5537 1.5394 1.1032 1.4538 1.5402 1.103 1.5344 1.0968 1.0959 1.5348 1.097 1.0973 1.5344 1.0973 1.097 1.0961 1.0969 1.4718 1.1017 1.3986 1.4067 1.4002 1.0878 1.3885 1.085 1.3968 1.4008 1.0865 1.0872 1.4601 1.4602 1.4601 1.0959 1.1059 1.5155 1.0959 1.1058 1.5155 1.0959 1.1057 1.5155 1.2741 1.102 1.4721 1.4009 1.4039 1.3981 1.0858 1.3905 1.0849 1.3991 1.3978 1.0866 1.0875 1.2741 1.102 1.4721 1.4009 1.4039 1.398 1.0857 1.3905 1.0849 1.3991 1.3978 1.0866 1.0876 1.2741 1.1019 1.4721 1.4009 1.4039 1.3981 1.0858 1.3905 1.0849 1.3991 1.3978 1.0866 1.0876 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 5 18 18 19 21 35 1 1 1 6 6 10 5 5 5 7 7 48 6 6 6 8 8 47 7 7 7 9 9 50 8 8 8 10 10 52 5 5 5 9 9 54 1 1 12 11 11 13 12 12 15 12 12 16 13 13 17 14 14 17 15 15 16 2 2 2 31 31 62 2 2 2 44 44 64 2 2 2 15 15 66 3 3 3 22 22 26 21 21 21 23 23 69 22 22 22 24 24 68 23 23 23 25 25 71 24 24 24 26 26 73 21 21 21 25 25 75 3 3 28 27 27 29 28 28 31 28 28 32 18 18 29 30 30 33 31 31 32 35 35 35 39 39 85 4 4 4 34 34 36 35 35 35 37 37 83 36 36 36 38 38 86 37 37 37 39 39 88 34 34 34 38 38 90 4 4 41 40 40 42 41 41 44 41 41 45 19 19 42 43 43 46 44 44 45 99 99 100 98 98 98 102 102 103 98 98 98 104 104 105 98 98 98 106 106 107 34 108 108 110 109 109 112 111 111 114 111 111 116 100 100 112 113 113 118 114 114 116 6 121 121 123 122 122 125 124 124 127 124 124 129 99 99 125 126 126 131 127 127 129 22 134 134 136 135 135 138 137 137 140 137 137 142 101 101 138 139 139 144 140 140 142 1 2 2 2 3 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 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 27 27 27 28 28 28 29 29 29 30 30 30 31 31 31 32 32 32 33 33 33 34 34 34 34 34 34 35 35 35 35 35 35 36 36 36 36 36 36 37 37 37 37 37 37 38 38 38 38 38 38 39 39 39 39 39 39 40 40 40 41 41 41 42 42 42 43 43 43 44 44 44 45 45 45 46 46 46 98 98 98 99 99 99 99 99 99 100 100 100 100 100 100 101 101 101 101 101 101 108 109 109 109 111 111 111 112 112 112 113 113 113 114 114 114 116 116 116 118 118 118 121 122 122 122 124 124 124 125 125 125 126 126 126 127 127 127 129 129 129 131 131 131 134 135 135 135 137 137 137 138 138 138 139 139 139 140 140 140 142 142 142 144 144 144 11 19 20 20 27 40 6 10 49 10 49 49 7 48 121 48 121 121 8 47 56 47 56 56 9 50 51 50 51 51 10 52 53 52 53 53 9 54 55 54 55 55 12 57 57 13 14 14 15 58 58 16 59 59 17 20 20 17 60 60 16 61 61 31 62 63 62 63 63 44 64 65 64 65 65 15 66 67 66 67 67 22 26 70 26 70 70 23 69 134 69 134 134 24 68 77 68 77 77 25 71 72 71 72 72 26 73 74 73 74 74 25 75 76 75 76 76 28 78 78 29 30 30 31 79 79 32 80 80 29 33 33 33 81 81 32 82 82 39 85 108 85 108 108 34 36 84 36 84 84 37 83 92 83 92 92 38 86 87 86 87 87 39 88 89 88 89 89 38 90 91 90 91 91 41 93 93 42 43 43 44 94 94 45 95 95 42 46 46 46 96 96 45 97 97 100 101 101 102 103 127 103 127 127 104 105 114 105 114 114 106 107 140 107 140 140 109 110 111 111 112 113 113 114 115 115 116 117 117 112 118 118 118 119 119 116 120 120 122 123 124 124 125 126 126 127 128 128 129 130 130 125 131 131 131 132 132 129 133 133 135 136 137 137 138 139 139 140 141 141 142 143 143 138 144 144 144 145 145 142 146 146 118.2737 111.5449 111.5385 111.5405 118.2661 118.2789 108.9773 109.0412 111.0724 110.7404 107.7215 109.2865 110.8402 107.9001 108.061 109.3747 109.4715 111.1819 112.156 108.834 107.8225 110.6027 109.8483 107.4236 111.4331 109.128 109.6411 109.3917 110.1729 106.963 111.4385 110.1684 109.3907 109.6536 109.1118 106.9666 112.1286 107.8799 108.7747 109.8593 110.5939 107.4543 122.7825 121.7407 115.458 119.2552 121.4386 119.269 121.184 119.58 119.2334 119.9431 118.9208 121.1314 118.7408 119.4199 121.8376 120.2201 119.9871 119.7909 120.6329 119.411 119.9558 111.8192 111.5442 107.2979 110.2144 108.8045 106.9606 111.8116 111.5497 107.3036 110.2047 108.8145 106.9575 111.7231 111.5745 107.2834 110.2369 108.8668 106.9608 108.8807 109.1597 111.0578 110.7254 107.7601 109.2534 110.8032 107.875 108.1341 109.4166 109.414 111.1868 112.1237 108.846 107.8314 110.599 109.8521 107.4371 111.4409 109.1041 109.6485 109.3954 110.1649 106.9762 111.4444 110.1658 109.4019 109.6493 109.1093 106.9583 112.1593 107.8324 108.7831 109.8623 110.5974 107.4537 122.7299 121.7199 115.532 119.3106 121.3723 119.2817 121.1654 119.603 119.2284 119.9478 118.8745 121.1735 119.4805 121.7811 118.7376 120.2066 119.9949 119.7966 120.6495 119.3869 119.9631 110.8206 107.9048 108.0985 109.4015 109.4488 111.1551 108.939 109.1193 111.0425 110.7027 107.7515 109.2823 112.1557 108.7882 107.827 110.5954 109.8617 107.4608 111.4441 109.1117 109.651 109.3772 110.1742 106.9712 111.4123 110.1753 109.4203 109.6553 109.0887 106.9791 112.117 107.8308 108.8375 109.8595 110.6053 107.4393 122.7174 121.7339 115.531 119.3177 121.3635 119.2841 121.1711 119.5438 119.2824 119.9452 118.8964 121.1538 119.4979 121.7764 118.7247 120.2088 119.997 119.7925 120.6561 119.4036 119.94 112.0178 112.0218 112.0093 107.3805 111.6752 113.4543 106.0856 108.5569 109.3595 107.3742 111.6786 113.4389 106.0918 108.5309 109.3966 107.3804 111.6679 113.4496 106.0973 108.5356 109.381 118.647 121.8074 122.5555 115.6357 119.2032 121.3409 119.4536 121.1654 119.6784 119.1461 119.742 119.0592 121.1962 121.5906 119.8116 118.5743 120.309 119.9519 119.7358 120.7486 119.4285 119.823 118.6992 121.8045 122.5354 115.6588 119.2138 121.3301 119.4536 121.1576 119.6977 119.1333 119.7471 119.0399 121.2106 121.6269 119.7697 118.5822 120.302 119.9531 119.7415 120.7499 119.4263 119.8238 118.6882 121.8119 122.5528 115.6337 119.1822 121.3637 119.4513 121.1652 119.6815 119.1437 119.7431 119.0667 121.1872 121.6007 119.7954 118.5807 120.3096 119.9459 119.7412 120.7419 119.4339 119.8242 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 11 11 11 5 5 19 19 19 20 20 20 18 18 18 20 20 20 18 18 18 19 19 19 27 27 27 21 21 40 40 40 35 35 1 1 1 10 10 10 49 49 49 1 1 1 6 6 6 49 49 49 5 5 5 48 48 48 121 121 121 5 7 48 6 6 6 47 47 47 56 56 56 7 7 7 50 50 50 51 51 51 8 8 8 52 52 52 53 53 53 1 1 57 57 11 11 14 14 11 11 13 13 12 12 58 58 12 12 59 59 13 13 20 20 13 13 13 17 17 17 14 14 60 60 2 2 62 62 63 63 2 2 64 64 65 65 3 3 3 26 26 26 70 70 70 3 3 3 22 22 22 70 70 70 21 21 21 69 69 69 134 134 134 21 23 69 22 22 22 68 68 68 77 77 77 23 23 23 71 71 71 72 72 72 24 24 24 73 73 73 74 74 74 3 3 78 78 27 27 30 30 27 27 29 29 28 28 79 79 28 28 80 80 18 18 29 29 30 30 81 81 39 39 39 85 85 85 108 108 108 35 35 35 85 85 85 108 108 108 35 39 85 4 4 4 34 34 34 84 84 84 35 35 35 83 83 83 92 92 92 36 36 36 86 86 86 87 87 87 37 37 37 88 88 88 89 89 89 4 4 93 93 40 40 43 43 40 40 42 42 41 41 94 94 41 41 95 95 19 19 42 42 43 43 96 96 100 100 100 101 101 101 99 99 99 101 101 101 99 99 99 100 100 100 98 98 102 102 103 103 98 98 104 104 105 105 98 98 106 106 107 107 34 34 108 108 110 110 109 109 113 113 109 109 112 112 111 111 115 115 111 111 117 117 100 100 112 112 113 113 119 119 6 6 121 121 123 123 122 122 126 126 122 122 125 125 124 124 128 128 124 124 130 130 99 99 125 125 126 126 132 132 22 22 134 134 136 136 135 135 139 139 135 135 138 138 137 137 141 141 137 137 143 143 101 101 138 138 139 139 145 145 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 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 9 9 9 9 9 9 9 9 9 11 11 11 11 12 12 12 12 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 15 15 15 15 15 15 16 16 16 16 18 18 18 18 18 18 19 19 19 19 19 19 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 22 22 22 22 22 22 22 22 22 22 22 22 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 27 27 27 27 28 28 28 28 28 28 28 28 29 29 29 29 30 30 30 30 31 31 31 31 32 32 32 32 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 35 35 35 35 35 35 35 35 35 36 36 36 36 36 36 36 36 36 37 37 37 37 37 37 37 37 37 38 38 38 38 38 38 38 38 38 40 40 40 40 41 41 41 41 41 41 41 41 42 42 42 42 43 43 43 43 44 44 44 44 45 45 45 45 98 98 98 98 98 98 98 98 98 98 98 98 98 98 98 98 98 98 99 99 99 99 99 99 100 100 100 100 100 100 101 101 101 101 101 101 108 108 109 109 109 109 111 111 111 111 111 111 111 111 112 112 112 112 113 113 113 113 114 114 114 114 116 116 116 116 121 121 122 122 122 122 124 124 124 124 124 124 124 124 125 125 125 125 126 126 126 126 127 127 127 127 129 129 129 129 134 134 135 135 135 135 137 137 137 137 137 137 137 137 138 138 138 138 139 139 139 139 140 140 140 140 142 142 142 142 5 5 5 11 11 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 27 27 35 35 35 40 40 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 10 10 10 7 7 7 7 7 7 7 7 7 121 121 121 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 20 20 20 20 20 20 17 17 17 17 31 31 31 31 31 31 44 44 44 44 44 44 22 22 22 22 22 22 22 22 22 26 26 26 26 26 26 26 26 26 23 23 23 23 23 23 23 23 23 134 134 134 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 26 26 26 26 26 26 26 26 26 28 28 28 28 29 29 29 29 30 30 30 30 31 31 31 31 32 32 32 32 33 33 33 33 33 33 33 33 35 35 35 35 35 35 35 35 35 39 39 39 39 39 39 39 39 39 108 108 108 36 36 36 36 36 36 36 36 36 37 37 37 37 37 37 37 37 37 38 38 38 38 38 38 38 38 38 39 39 39 39 39 39 39 39 39 41 41 41 41 42 42 42 42 43 43 43 43 44 44 44 44 45 45 45 45 46 46 46 46 46 46 46 46 99 99 99 99 99 99 100 100 100 100 100 100 101 101 101 101 101 101 127 127 127 127 127 127 114 114 114 114 114 114 140 140 140 140 140 140 109 109 111 111 111 111 112 112 112 112 113 113 113 113 114 114 114 114 116 116 116 116 118 118 118 118 118 118 118 118 122 122 124 124 124 124 125 125 125 125 126 126 126 126 127 127 127 127 129 129 129 129 131 131 131 131 131 131 131 131 135 135 137 137 137 137 138 138 138 138 139 139 139 139 140 140 140 140 142 142 142 142 144 144 144 144 144 144 144 144 6 10 49 12 57 31 62 63 31 62 63 44 64 65 44 64 65 15 66 67 15 66 67 22 26 70 28 78 34 36 84 41 93 7 48 121 7 48 121 7 48 121 9 54 55 9 54 55 9 54 55 8 47 56 8 47 56 8 47 56 122 122 122 9 50 51 9 50 51 9 50 51 10 52 53 10 52 53 10 52 53 5 54 55 5 54 55 5 54 55 13 14 13 14 15 58 15 58 16 59 16 59 17 20 17 20 17 60 17 60 16 61 16 61 2 66 67 2 66 67 15 61 15 61 29 33 29 33 29 33 42 46 42 46 42 46 23 69 134 23 69 134 23 69 134 25 75 76 25 75 76 25 75 76 24 68 77 24 68 77 24 68 77 135 135 135 25 71 72 25 71 72 25 71 72 26 73 74 26 73 74 26 73 74 21 75 76 21 75 76 21 75 76 29 30 29 30 31 79 31 79 32 80 32 80 18 33 18 33 33 81 33 81 32 82 32 82 31 82 31 82 4 36 84 4 36 84 4 36 84 38 90 91 38 90 91 38 90 91 109 109 109 37 83 92 37 83 92 37 83 92 38 86 87 38 86 87 38 86 87 39 88 89 39 88 89 39 88 89 34 90 91 34 90 91 34 90 91 42 43 42 43 44 94 44 94 45 95 45 95 19 46 19 46 46 96 46 96 45 97 45 97 44 97 44 97 102 103 127 102 103 127 104 105 114 104 105 114 106 107 140 106 107 140 125 131 125 131 125 131 112 118 112 118 112 118 138 144 138 144 138 144 110 111 112 113 112 113 114 115 114 115 116 117 116 117 100 118 100 118 118 119 118 119 116 120 116 120 114 120 114 120 123 124 125 126 125 126 127 128 127 128 129 130 129 130 99 131 99 131 131 132 131 132 129 133 129 133 127 133 127 133 136 137 138 139 138 139 140 141 140 141 142 143 142 143 101 144 101 144 144 145 144 145 142 146 142 146 140 146 140 146 118.1291 -120.8835 -0.3904 176.5229 -1.8277 159.9605 -76.1069 40.7288 -74.5747 49.3579 166.1935 -74.2818 49.6367 166.4751 160.2546 -75.827 41.0114 160.1401 -75.9468 40.897 -74.3927 49.5204 166.3642 118.8878 -120.1299 0.39 176.8066 -1.5685 118.2625 -120.7719 -0.252 176.7203 -1.678 65.3514 -54.3828 -174.6954 -54.5909 -174.3251 65.3624 -174.0485 66.2173 -54.0953 -64.827 174.074 57.8077 55.077 -66.022 177.7117 173.5892 52.4901 -63.7761 55.0054 177.7112 -66.0585 173.8531 -63.4412 52.7891 -64.1017 58.604 174.8344 117.1679 -122.0219 -1.0663 -54.8332 66.0766 -177.0731 -176.5323 -55.6225 61.2278 65.0563 -174.0338 -57.1835 54.1946 176.1436 -66.5434 -66.5609 55.3882 172.7011 176.1272 -61.9237 55.3893 -54.9633 64.9883 -176.5611 -177.2097 -57.2581 61.1925 65.9379 -174.1105 -55.6599 179.8602 -2.3777 -1.6934 176.0688 176.6637 -2.7344 -1.1476 179.4543 -177.0869 2.1317 0.6749 179.8936 0.7031 -179.7642 -179.8968 -0.364 0.2216 179.721 -178.9794 0.52 0.2129 -179.6014 -179.308 0.8777 -70.6268 164.7107 47.6751 108.8909 -15.7716 -132.8071 -0.6737 179.1397 179.8259 -0.3608 -71.0482 108.6243 164.2756 -16.0518 47.2897 -133.0377 -70.6843 108.949 164.6451 -15.7216 47.6625 -132.7042 65.3376 -54.4104 -174.7559 -54.6802 -174.4281 65.2263 -174.1126 66.1394 -54.2061 -64.7842 174.1258 57.8813 55.0665 -66.0235 177.732 173.5965 52.5065 -63.738 55.1315 177.8194 -65.9231 173.9518 -63.3602 52.8973 -64.0068 58.6812 174.9387 116.3792 -122.8452 -1.8723 -54.8908 66.0126 -177.1308 -176.5804 -55.677 61.1797 64.9916 -174.1051 -57.2484 54.1346 176.0805 -66.6115 -66.5983 55.3476 172.6557 176.0763 -61.9778 55.3303 -54.8707 65.0431 -176.503 -177.1148 -57.201 61.2529 66.0467 -174.0396 -55.5857 -179.259 -1.4387 -0.7908 177.0296 176.6465 -2.6937 -1.22 179.4399 -177.1188 2.1404 0.7022 179.9613 -179.553 0.7644 -0.2104 -179.893 0.2491 179.7528 -178.9926 0.5111 -179.4676 0.7694 0.2074 -179.5557 -0.7123 179.0494 179.783 -0.4553 65.3175 -54.6736 -174.1227 -54.4409 -174.432 66.1189 -174.7452 65.2637 -54.1855 55.1509 -65.9083 177.8364 174.0092 52.9501 -63.3052 -63.9761 174.9647 58.7094 117.233 -121.9713 -1.0146 -64.8186 57.8454 174.098 55.0645 177.7285 -66.0189 173.5882 -63.7478 52.5048 -54.9138 65.974 -177.1695 -176.5488 -55.6609 61.1956 64.9903 -174.1219 -57.2654 54.1809 176.1192 -66.531 -66.5515 55.3868 172.7366 176.1346 -61.9272 55.4227 -54.9178 64.9644 -176.5964 -177.1566 -57.2744 61.1649 65.9883 -174.1295 -55.6903 179.929 -2.2295 -1.5806 176.2609 176.7563 -2.6364 -1.1306 179.4767 -177.1754 2.051 0.6669 179.8932 -179.6723 0.6831 -0.2781 -179.9226 0.2241 179.7495 -178.9844 0.541 -179.4091 0.7588 0.2269 -179.6051 -0.6793 179.1519 179.7944 -0.3745 -168.5404 -52.6391 71.5054 -41.6981 74.2032 -161.6523 -41.6906 74.2163 -161.5987 -168.5397 -52.6328 71.5522 -168.6303 -52.7189 71.445 -41.7834 74.128 -161.7081 23.6622 -158.0346 -95.6209 82.6823 149.0551 -32.6417 24.2574 -157.5316 -94.9904 83.2206 149.6725 -32.1165 24.0246 -157.7519 -95.2409 82.9826 149.4214 -32.3552 -0.069 179.4894 179.2962 -1.2641 -1.1201 178.3197 178.8158 -0.0164 -0.6347 -179.4669 -178.8917 0.528 0.5467 179.9664 178.2357 0.0031 -2.926 178.8415 0.166 179.4975 -179.2411 0.0905 -177.5437 2.4714 0.7211 -179.2638 -0.8126 179.1722 179.8544 -0.1607 0.0538 179.61 179.9196 -0.6481 -0.4988 178.9335 178.7526 -0.0126 -0.6905 -179.4556 -178.8812 0.5623 0.5497 179.9933 178.3939 0.0712 -2.8341 178.8432 0.2019 179.5304 -179.2293 0.0992 -177.662 2.3618 0.6927 -179.2835 -0.8358 179.1403 179.8342 -0.1896 -0.0761 179.4415 178.896 -1.7231 -1.5586 177.8222 178.7158 -0.1485 -0.677 -179.5414 -178.7684 0.6084 0.6108 179.9877 178.2247 -0.0197 -2.9049 178.8507 0.1451 179.4742 -179.2182 0.1109 -177.4889 2.514 0.788 -179.2091 -0.8582 179.1389 179.8113 -0.1916 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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= 1.05D-06 NBF= 1550 NBsUse= 1535 1.00D-06 EigRej= 8.74D-07 NBFU= 1535 Berny optimization. local minimum Step number 12 out of a maximum of 876 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00144 0.00359 0.00448 0.00449 0.00449 0.00523 0.00528 0.00533 0.00591 0.00602 0.00638 0.00682 0.00702 0.00745 0.00790 0.00804 0.00966 0.00973 0.01008 0.01049 0.01073 0.01074 0.01103 0.01119 0.01189 0.01191 0.01212 0.01307 0.01314 0.01375 0.01523 0.01528 0.01579 0.01697 0.01705 0.01711 0.01807 0.01816 0.01818 0.01824 0.01840 0.01862 0.01884 0.01906 0.01923 0.01927 0.01944 0.01979 0.02007 0.02038 0.02042 0.02044 0.02070 0.02084 0.02088 0.02093 0.02096 0.02096 0.02097 0.02098 0.02099 0.02101 0.02104 0.02105 0.02108 0.02109 0.02109 0.02110 0.02112 0.02118 0.02119 0.02129 0.02136 0.02136 0.02138 0.02142 0.02143 0.02146 0.02150 0.02167 0.02172 0.02172 0.02173 0.02174 0.02175 0.02179 0.02185 0.02217 0.02442 0.02610 0.02625 0.02675 0.02825 0.02932 0.03094 0.03415 0.03563 0.03600 0.03609 0.03630 0.03899 0.04006 0.04034 0.04037 0.04116 0.04126 0.04154 0.04185 0.04276 0.04491 0.04521 0.04591 0.04673 0.04726 0.04742 0.04759 0.04772 0.04777 0.04801 0.04802 0.04806 0.04873 0.04929 0.05074 0.05443 0.05461 0.05474 0.05537 0.05613 0.05623 0.05668 0.05718 0.05733 0.05793 0.05951 0.06028 0.06097 0.06403 0.06436 0.06667 0.06723 0.06733 0.06833 0.06838 0.06875 0.07106 0.07161 0.07172 0.07182 0.08033 0.08041 0.08104 0.08104 0.08105 0.08106 0.08110 0.08141 0.08203 0.08252 0.08272 0.08286 0.08316 0.08325 0.08347 0.08356 0.08362 0.08370 0.09516 0.09608 0.09908 0.10188 0.10218 0.10252 0.10345 0.10435 0.10450 0.10833 0.10874 0.11951 0.12085 0.12086 0.12092 0.12655 0.13081 0.13107 0.13214 0.13635 0.13703 0.13928 0.13949 0.14614 0.15488 0.15533 0.15706 0.15950 0.15976 0.15993 0.15996 0.15998 0.15998 0.15998 0.15998 0.15999 0.15999 0.15999 0.15999 0.15999 0.15999 0.15999 0.15999 0.15999 0.15999 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16001 0.16001 0.16005 0.16009 0.16039 0.16198 0.16233 0.16454 0.17027 0.17339 0.17418 0.17464 0.17876 0.19675 0.19957 0.20333 0.21141 0.21208 0.21273 0.21340 0.21446 0.21917 0.21995 0.21998 0.22000 0.22003 0.22027 0.22312 0.22640 0.22654 0.22737 0.22790 0.22841 0.22983 0.23349 0.23395 0.23429 0.23463 0.23466 0.23470 0.23474 0.23501 0.23505 0.23516 0.23554 0.23640 0.24046 0.24137 0.24290 0.24725 0.24865 0.24960 0.24982 0.24992 0.25000 0.25015 0.25039 0.25663 0.26383 0.26427 0.26824 0.27336 0.27360 0.27450 0.27471 0.27493 0.27506 0.28495 0.28500 0.28790 0.28799 0.28814 0.28821 0.28850 0.28876 0.29273 0.30775 0.30799 0.30859 0.31247 0.31312 0.31388 0.32758 0.33048 0.33057 0.33128 0.33139 0.33150 0.33326 0.33332 0.33341 0.33350 0.33355 0.33371 0.33465 0.33467 0.33479 0.33491 0.33504 0.33548 0.33970 0.33983 0.33984 0.33985 0.33985 0.33987 0.34015 0.34017 0.34020 0.34021 0.34021 0.34025 0.34033 0.34034 0.34035 0.34038 0.34039 0.34092 0.34108 0.34113 0.34118 0.34128 0.34132 0.34135 0.34143 0.34148 0.34234 0.34316 0.34348 0.34405 0.34905 0.35068 0.35071 0.35079 0.35092 0.35097 0.35108 0.35129 0.35134 0.35140 0.35211 0.35212 0.35213 0.35220 0.35220 0.35221 0.35228 0.35265 0.35298 0.35308 0.35315 0.35392 0.35395 0.35398 0.35404 0.35406 0.35407 0.35502 0.35514 0.35519 0.35887 0.35962 0.36535 0.36889 0.37171 0.37475 0.37507 0.37630 0.37719 0.37743 0.37783 0.38032 0.41032 0.41050 0.41055 0.41288 0.41291 0.41387 0.41645 0.41675 0.41683 0.41782 0.41823 0.41831 0.44248 0.45072 0.45073 0.45143 0.45299 0.45313 0.45476 0.45607 0.45609 0.45641 0.45644 0.45659 0.45812 0.45831 0.45836 0.45904 0.45916 0.46434 0.46787 0.46796 0.46950 0.47022 0.47035 0.47081 0.74602 0.74609 0.74665 0.74767 0.74769 0.76012 -1.77935880e-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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-2.96291 1.20906 -0.87369 0.92693 -1.18731 3.07604 2.99559 0.88135 -1.13849 -1.17528 2.99367 0.97382 2.02567 -2.12830 -0.03094 -1.17494 0.97304 2.99300 0.92919 3.07717 -1.18606 2.99794 -1.13727 0.88269 -0.95068 1.16536 -3.08025 -3.08094 -0.96490 1.07267 1.14695 -3.02020 -0.98263 0.94430 3.06678 -1.17295 -1.17230 0.95017 2.99363 3.06706 -1.09365 0.94981 -0.94856 1.14776 -3.08033 -3.07819 -0.98186 1.07324 1.16773 -3.01913 -0.96403 3.11030 -0.06032 -0.04596 3.06661 3.10549 -0.02502 -0.00794 -3.13844 -3.10218 0.02513 0.01033 3.13764 -3.11955 -0.00331 0.01096 3.12720 -0.00152 3.13209 -3.12863 0.00498 3.12818 -0.00795 0.01232 -3.12381 -0.01004 3.12609 3.13953 -0.00753 -2.95084 -0.93757 1.22751 -0.79305 1.22022 -2.89789 -0.79652 1.21684 -2.90092 -2.95371 -0.94035 1.22507 -2.94831 -0.93488 1.23049 -0.79106 1.22237 -2.89545 0.45068 -2.73012 -1.64697 1.45542 2.63446 -0.54634 0.45228 -2.72856 -1.64473 1.45761 2.63680 -0.54405 0.44919 -2.73115 -1.64798 1.45487 2.63316 -0.54718 -0.01244 3.11812 3.08819 -0.06941 -0.06384 3.06174 3.11361 -0.01434 -0.01239 -3.14034 -3.11450 0.01444 0.01100 3.13994 3.10263 0.00001 -0.05261 3.12796 0.00261 3.13151 -3.12615 0.00274 -3.09016 0.05223 0.01387 -3.12693 -0.01534 3.12546 3.13892 -0.00347 -0.01361 3.11628 3.10126 -0.05673 -0.05141 3.07378 3.11314 -0.01398 -0.01248 -3.13961 -3.11492 0.01446 0.01020 3.13958 3.10371 0.00104 -0.05234 3.12817 0.00334 3.13267 -3.12586 0.00347 -3.09130 0.05111 0.01277 -3.12800 -0.01511 3.12567 3.13873 -0.00368 -0.01483 3.11361 3.11081 -0.04920 -0.04321 3.07996 3.10987 -0.01573 -0.01380 -3.13940 -3.11221 0.01671 0.01086 3.13978 3.10511 0.00197 -0.05247 3.12757 0.00369 3.13277 -3.12506 0.00402 -3.09162 0.05087 0.01287 -3.12782 -0.01585 3.12485 3.13823 -0.00426 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000005 0.000001 0.000606 0.000094 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.822376e-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 2 3 3 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 18 18 18 19 19 19 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 27 27 28 28 29 29 30 30 31 32 32 33 34 34 34 34 35 35 36 36 36 37 37 37 38 38 38 39 39 40 40 41 41 42 42 43 43 44 45 45 46 98 98 98 99 99 99 100 100 100 101 101 101 108 109 109 111 111 112 112 113 113 114 116 116 118 121 122 122 124 124 125 125 126 126 127 129 129 131 134 135 135 137 137 138 138 139 139 140 142 142 144 5 11 18 19 20 21 27 35 40 6 10 49 7 48 121 8 47 56 9 50 51 10 52 53 54 55 12 57 13 14 15 58 16 59 17 20 17 60 61 31 62 63 44 64 65 66 67 22 26 70 23 69 134 24 68 77 25 71 72 26 73 74 75 76 28 78 29 30 31 79 32 80 33 33 81 82 35 39 85 108 36 84 37 83 92 38 86 87 39 88 89 90 91 41 93 42 43 44 94 45 95 46 46 96 97 99 100 101 102 103 127 104 105 114 106 107 140 109 110 111 112 113 114 115 116 117 118 118 119 120 122 123 124 125 126 127 128 129 130 131 131 132 133 135 136 137 138 139 140 141 142 143 144 144 145 146 1.46 1.2765 1.4769 1.477 1.4768 1.46 1.2766 1.4598 1.2765 1.5598 1.5436 1.1035 1.5435 1.1037 1.4597 1.5369 1.0979 1.0976 1.5366 1.0982 1.0984 1.5368 1.0984 1.0982 1.0976 1.0979 1.4762 1.1024 1.4024 1.4083 1.403 1.0889 1.3914 1.0858 1.4001 1.5164 1.4026 1.0874 1.0881 1.5162 1.1063 1.094 1.5162 1.1063 1.0939 1.1063 1.094 1.5597 1.5435 1.1035 1.5436 1.1037 1.4597 1.5369 1.098 1.0976 1.5366 1.0982 1.0984 1.5369 1.0984 1.0982 1.0975 1.0979 1.4762 1.1025 1.4024 1.4083 1.4031 1.0888 1.3914 1.0858 1.4 1.4025 1.0874 1.0881 1.5598 1.5434 1.1035 1.4594 1.5437 1.1034 1.5368 1.0979 1.0976 1.5367 1.0982 1.0984 1.537 1.0984 1.0982 1.0976 1.0979 1.4762 1.1025 1.4023 1.4084 1.403 1.0886 1.3914 1.0858 1.4 1.4026 1.0874 1.0881 1.4683 1.4683 1.4684 1.0962 1.1072 1.5204 1.0963 1.1072 1.5205 1.0962 1.1072 1.5205 1.2764 1.1026 1.4764 1.4049 1.406 1.4008 1.087 1.3929 1.0857 1.4021 1.3999 1.0874 1.0885 1.2765 1.1024 1.4764 1.405 1.4059 1.4007 1.0871 1.3928 1.0856 1.402 1.3999 1.0874 1.0884 1.2764 1.1026 1.4764 1.4049 1.4059 1.4007 1.0869 1.3929 1.0857 1.4021 1.3999 1.0874 1.0884 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 5 18 18 19 21 35 1 1 1 6 6 10 5 5 5 7 7 48 6 6 6 8 8 47 7 7 7 9 9 50 8 8 8 10 10 52 5 5 5 9 9 54 1 1 12 11 11 13 12 12 15 12 12 16 13 13 17 14 14 17 15 15 16 2 2 2 31 31 62 2 2 2 44 44 64 2 2 2 15 15 66 3 3 3 22 22 26 21 21 21 23 23 69 22 22 22 24 24 68 23 23 23 25 25 71 24 24 24 26 26 73 21 21 21 25 25 75 3 3 28 27 27 29 28 28 31 28 28 32 18 18 29 30 30 33 31 31 32 35 35 35 39 39 85 4 4 4 34 34 36 35 35 35 37 37 83 36 36 36 38 38 86 37 37 37 39 39 88 34 34 34 38 38 90 4 4 41 40 40 42 41 41 44 41 41 45 19 19 42 43 43 46 44 44 45 99 99 100 98 98 98 102 102 103 98 98 98 104 104 105 98 98 98 106 106 107 34 108 108 110 109 109 112 111 111 114 111 111 116 100 100 112 113 113 118 114 114 116 6 121 121 123 122 122 125 124 124 127 124 124 129 99 99 125 126 126 131 127 127 129 22 134 134 136 135 135 138 137 137 140 137 137 142 101 101 138 139 139 144 140 140 142 1 2 2 2 3 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 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 27 27 27 28 28 28 29 29 29 30 30 30 31 31 31 32 32 32 33 33 33 34 34 34 34 34 34 35 35 35 35 35 35 36 36 36 36 36 36 37 37 37 37 37 37 38 38 38 38 38 38 39 39 39 39 39 39 40 40 40 41 41 41 42 42 42 43 43 43 44 44 44 45 45 45 46 46 46 98 98 98 99 99 99 99 99 99 100 100 100 100 100 100 101 101 101 101 101 101 108 109 109 109 111 111 111 112 112 112 113 113 113 114 114 114 116 116 116 118 118 118 121 122 122 122 124 124 124 125 125 125 126 126 126 127 127 127 129 129 129 131 131 131 134 135 135 135 137 137 137 138 138 138 139 139 139 140 140 140 142 142 142 144 144 144 11 19 20 20 27 40 6 10 49 10 49 49 7 48 121 48 121 121 8 47 56 47 56 56 9 50 51 50 51 51 10 52 53 52 53 53 9 54 55 54 55 55 12 57 57 13 14 14 15 58 58 16 59 59 17 20 20 17 60 60 16 61 61 31 62 63 62 63 63 44 64 65 64 65 65 15 66 67 66 67 67 22 26 70 26 70 70 23 69 134 69 134 134 24 68 77 68 77 77 25 71 72 71 72 72 26 73 74 73 74 74 25 75 76 75 76 76 28 78 78 29 30 30 31 79 79 32 80 80 29 33 33 33 81 81 32 82 82 39 85 108 85 108 108 34 36 84 36 84 84 37 83 92 83 92 92 38 86 87 86 87 87 39 88 89 88 89 89 38 90 91 90 91 91 41 93 93 42 43 43 44 94 94 45 95 95 42 46 46 46 96 96 45 97 97 100 101 101 102 103 127 103 127 127 104 105 114 105 114 114 106 107 140 107 140 140 109 110 111 111 112 113 113 114 115 115 116 117 117 112 118 118 118 119 119 116 120 120 122 123 124 124 125 126 126 127 128 128 129 130 130 125 131 131 131 132 132 129 133 133 135 136 137 137 138 139 139 140 141 141 142 143 143 138 144 144 144 145 145 142 146 146 118.2686 110.7944 110.8204 110.778 118.2001 118.2444 108.9301 109.6307 110.4813 111.2707 107.5663 108.9445 111.3112 107.6429 108.707 108.9884 109.7156 110.4576 112.8814 108.7617 107.7995 110.5514 109.5775 107.0666 111.4363 109.4803 109.4407 109.439 110.1268 106.8044 111.4398 110.1188 109.4489 109.4397 109.4777 106.8025 112.8954 107.7872 108.755 109.5739 110.5533 107.0725 123.5172 121.2985 115.1796 118.8473 122.0225 119.1108 121.5024 119.2371 119.2578 119.9177 119.333 120.7435 118.3926 120.1109 121.4793 120.3153 119.9416 119.7414 120.7564 119.5568 119.6858 113.834 110.6548 107.1498 109.5688 108.4667 106.8837 113.7968 110.662 107.1532 109.6073 108.4293 106.9111 113.8009 110.6654 107.1654 109.5842 108.4592 106.8841 108.9654 109.6289 110.3967 111.2907 107.5628 108.9775 111.3393 107.6369 108.7092 108.9533 109.6936 110.4914 112.9094 108.7469 107.8007 110.5596 109.5666 107.0525 111.4212 109.4988 109.4378 109.4496 110.1212 106.7995 111.4466 110.1163 109.4383 109.4387 109.4888 106.7981 112.9062 107.7967 108.7517 109.5784 110.5437 107.0599 123.4899 121.2357 115.2693 118.9242 121.9439 119.1113 121.4823 119.2885 119.2268 119.9332 119.2959 120.765 120.1286 121.4458 118.407 120.3007 119.9489 119.7486 120.7592 119.5532 119.6866 111.3125 107.6052 108.7397 108.9842 109.7764 110.4016 108.9167 109.6076 110.404 111.3133 107.6204 108.9615 112.9063 108.7323 107.8125 110.5494 109.5829 107.0529 111.4286 109.5095 109.4353 109.454 110.1098 106.7904 111.4459 110.117 109.4419 109.4091 109.537 106.7756 112.9623 107.7451 108.768 109.5458 110.5496 107.0619 123.4626 121.2545 115.2775 118.8873 121.9984 119.0937 121.5112 119.2899 119.1959 119.9274 119.331 120.7365 120.0768 121.5069 118.3998 120.3167 119.9282 119.7536 120.7458 119.5923 119.6612 110.8577 110.8521 110.9126 107.4159 110.8284 115.2268 105.987 108.1676 108.776 107.3883 110.8625 115.2327 105.9894 108.1608 108.7667 107.4186 110.8464 115.1746 105.9859 108.1716 108.8076 118.3472 121.2574 123.416 115.3239 118.7799 121.899 119.3149 121.4007 119.2936 119.3011 119.7358 119.4656 120.7946 122.5949 119.0602 118.3079 120.364 119.9161 119.7159 120.868 119.5056 119.6264 118.3272 121.2057 123.4605 115.3307 118.805 121.8762 119.3123 121.3922 119.3305 119.2722 119.7459 119.4288 120.8215 122.5814 119.0639 118.3179 120.3566 119.9286 119.7111 120.8669 119.5105 119.6226 118.3898 121.2771 123.4542 115.2647 118.7356 121.9456 119.3105 121.4168 119.2861 119.2909 119.7278 119.4637 120.8045 122.545 119.1177 118.3013 120.3734 119.9225 119.7003 120.861 119.5082 119.6308 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 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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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 11 11 11 5 5 19 19 19 20 20 20 18 18 18 20 20 20 18 18 18 19 19 19 27 27 27 21 21 40 40 40 35 35 1 1 1 10 10 10 49 49 49 1 1 1 6 6 6 49 49 49 5 5 5 48 48 48 121 121 121 5 7 48 6 6 6 47 47 47 56 56 56 7 7 7 50 50 50 51 51 51 8 8 8 52 52 52 53 53 53 1 1 57 57 11 11 14 14 11 11 13 13 12 12 58 58 12 12 59 59 13 13 20 20 13 13 13 17 17 17 14 14 60 60 2 2 62 62 63 63 2 2 64 64 65 65 3 3 3 26 26 26 70 70 70 3 3 3 22 22 22 70 70 70 21 21 21 69 69 69 134 134 134 21 23 69 22 22 22 68 68 68 77 77 77 23 23 23 71 71 71 72 72 72 24 24 24 73 73 73 74 74 74 3 3 78 78 27 27 30 30 27 27 29 29 28 28 79 79 28 28 80 80 18 18 29 29 30 30 81 81 39 39 39 85 85 85 108 108 108 35 35 35 85 85 85 108 108 108 35 39 85 4 4 4 34 34 34 84 84 84 35 35 35 83 83 83 92 92 92 36 36 36 86 86 86 87 87 87 37 37 37 88 88 88 89 89 89 4 4 93 93 40 40 43 43 40 40 42 42 41 41 94 94 41 41 95 95 19 19 42 42 43 43 96 96 100 100 100 101 101 101 99 99 99 101 101 101 99 99 99 100 100 100 98 98 102 102 103 103 98 98 104 104 105 105 98 98 106 106 107 107 34 34 108 108 110 110 109 109 113 113 109 109 112 112 111 111 115 115 111 111 117 117 100 100 112 112 113 113 119 119 6 6 121 121 123 123 122 122 126 126 122 122 125 125 124 124 128 128 124 124 130 130 99 99 125 125 126 126 132 132 22 22 134 134 136 136 135 135 139 139 135 135 138 138 137 137 141 141 137 137 143 143 101 101 138 138 139 139 145 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 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 9 9 9 9 9 9 9 9 9 11 11 11 11 12 12 12 12 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 15 15 15 15 15 15 16 16 16 16 18 18 18 18 18 18 19 19 19 19 19 19 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 22 22 22 22 22 22 22 22 22 22 22 22 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 27 27 27 27 28 28 28 28 28 28 28 28 29 29 29 29 30 30 30 30 31 31 31 31 32 32 32 32 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 35 35 35 35 35 35 35 35 35 36 36 36 36 36 36 36 36 36 37 37 37 37 37 37 37 37 37 38 38 38 38 38 38 38 38 38 40 40 40 40 41 41 41 41 41 41 41 41 42 42 42 42 43 43 43 43 44 44 44 44 45 45 45 45 98 98 98 98 98 98 98 98 98 98 98 98 98 98 98 98 98 98 99 99 99 99 99 99 100 100 100 100 100 100 101 101 101 101 101 101 108 108 109 109 109 109 111 111 111 111 111 111 111 111 112 112 112 112 113 113 113 113 114 114 114 114 116 116 116 116 121 121 122 122 122 122 124 124 124 124 124 124 124 124 125 125 125 125 126 126 126 126 127 127 127 127 129 129 129 129 134 134 135 135 135 135 137 137 137 137 137 137 137 137 138 138 138 138 139 139 139 139 140 140 140 140 142 142 142 5 5 5 11 11 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 27 27 35 35 35 40 40 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 10 10 10 7 7 7 7 7 7 7 7 7 121 121 121 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 20 20 20 20 20 20 17 17 17 17 31 31 31 31 31 31 44 44 44 44 44 44 22 22 22 22 22 22 22 22 22 26 26 26 26 26 26 26 26 26 23 23 23 23 23 23 23 23 23 134 134 134 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 26 26 26 26 26 26 26 26 26 28 28 28 28 29 29 29 29 30 30 30 30 31 31 31 31 32 32 32 32 33 33 33 33 33 33 33 33 35 35 35 35 35 35 35 35 35 39 39 39 39 39 39 39 39 39 108 108 108 36 36 36 36 36 36 36 36 36 37 37 37 37 37 37 37 37 37 38 38 38 38 38 38 38 38 38 39 39 39 39 39 39 39 39 39 41 41 41 41 42 42 42 42 43 43 43 43 44 44 44 44 45 45 45 45 46 46 46 46 46 46 46 46 99 99 99 99 99 99 100 100 100 100 100 100 101 101 101 101 101 101 127 127 127 127 127 127 114 114 114 114 114 114 140 140 140 140 140 140 109 109 111 111 111 111 112 112 112 112 113 113 113 113 114 114 114 114 116 116 116 116 118 118 118 118 118 118 118 118 122 122 124 124 124 124 125 125 125 125 126 126 126 126 127 127 127 127 129 129 129 129 131 131 131 131 131 131 131 131 135 135 137 137 137 137 138 138 138 138 139 139 139 139 140 140 140 140 142 142 142 142 144 144 144 144 144 144 144 6 10 49 12 57 31 62 63 31 62 63 44 64 65 44 64 65 15 66 67 15 66 67 22 26 70 28 78 34 36 84 41 93 7 48 121 7 48 121 7 48 121 9 54 55 9 54 55 9 54 55 8 47 56 8 47 56 8 47 56 122 122 122 9 50 51 9 50 51 9 50 51 10 52 53 10 52 53 10 52 53 5 54 55 5 54 55 5 54 55 13 14 13 14 15 58 15 58 16 59 16 59 17 20 17 20 17 60 17 60 16 61 16 61 2 66 67 2 66 67 15 61 15 61 29 33 29 33 29 33 42 46 42 46 42 46 23 69 134 23 69 134 23 69 134 25 75 76 25 75 76 25 75 76 24 68 77 24 68 77 24 68 77 135 135 135 25 71 72 25 71 72 25 71 72 26 73 74 26 73 74 26 73 74 21 75 76 21 75 76 21 75 76 29 30 29 30 31 79 31 79 32 80 32 80 18 33 18 33 33 81 33 81 32 82 32 82 31 82 31 82 4 36 84 4 36 84 4 36 84 38 90 91 38 90 91 38 90 91 109 109 109 37 83 92 37 83 92 37 83 92 38 86 87 38 86 87 38 86 87 39 88 89 39 88 89 39 88 89 34 90 91 34 90 91 34 90 91 42 43 42 43 44 94 44 94 45 95 45 95 19 46 19 46 46 96 46 96 45 97 45 97 44 97 44 97 102 103 127 102 103 127 104 105 114 104 105 114 106 107 140 106 107 140 125 131 125 131 125 131 112 118 112 118 112 118 138 144 138 144 138 144 110 111 112 113 112 113 114 115 114 115 116 117 116 117 100 118 100 118 118 119 118 119 116 120 116 120 114 120 114 120 123 124 125 126 125 126 127 128 127 128 129 130 129 130 99 131 99 131 131 132 131 132 129 133 129 133 127 133 127 133 136 137 138 139 138 139 140 141 140 141 142 143 142 143 101 144 101 144 144 145 144 145 142 146 142 146 140 146 140 116.3422 -121.6851 -1.6075 177.9821 -1.1937 163.3751 -72.7178 43.4596 -73.2313 50.6757 166.8531 -73.0191 50.9168 167.1326 163.5629 -72.5012 43.7147 163.5611 -72.5279 43.6645 -73.0359 50.8751 167.0675 115.9264 -122.0549 -1.9907 177.9531 -1.1823 116.8055 -121.1923 -1.1568 177.8429 -1.2673 69.0642 -50.3137 -169.978 -51.9094 -171.2873 69.0484 -171.1622 69.4598 -50.2044 -67.306 171.5347 55.7784 53.256 -67.9033 176.3404 171.6833 50.5239 -65.2324 53.2612 176.3385 -67.9022 171.8348 -65.0879 50.6714 -67.1038 55.9735 171.7328 116.5812 -121.4846 -1.3133 -54.4352 66.7717 -176.4813 -176.512 -55.3051 61.4419 65.7135 -173.0796 -56.3326 54.1333 175.7777 -67.1032 -67.0976 54.5467 171.6658 175.7821 -62.5735 54.5455 -54.4533 65.6865 -176.5326 -176.4909 -56.351 61.4298 66.7665 -173.0937 -55.3129 177.2592 -4.3559 -3.519 174.866 177.9826 -1.4107 -0.4501 -179.8435 -177.7987 1.3415 0.5821 179.7224 -0.164 -178.6752 179.2292 0.718 -0.1034 179.4291 -179.2312 0.3013 0.654 -178.9748 179.1439 -0.4849 -74.0089 161.4972 45.1538 107.5268 -16.9671 -133.3105 -0.5275 179.1009 179.9391 -0.4326 -74.1758 107.4158 161.332 -17.0764 44.9934 -133.415 -74.4276 107.0718 161.0679 -17.4326 44.6965 -133.8041 69.2012 -50.1467 -169.8491 -51.8062 -171.154 69.1435 -171.1088 69.5434 -50.1591 -67.417 171.4047 55.66 53.2008 -67.9774 176.2778 171.6566 50.4783 -65.2664 53.1799 176.276 -67.9884 171.741 -65.1629 50.5728 -67.1915 55.9046 171.6402 116.856 -121.1874 -1.0523 -54.4061 66.8167 -176.4332 -176.4895 -55.2666 61.4835 65.7549 -173.0222 -56.2722 54.1521 175.7981 -67.0958 -67.0995 54.5465 171.6526 175.7832 -62.5708 54.5353 -54.4669 65.6951 -176.5425 -176.5052 -56.3432 61.4191 66.7516 -173.0864 -55.324 176.9451 -4.7232 -3.8725 174.4592 177.9264 -1.5171 -0.4533 -179.8968 -177.6886 1.4335 0.6401 179.7622 -178.7056 -0.2493 0.7383 179.1946 -0.1262 179.3809 -179.2351 0.272 179.2099 -0.4406 0.7749 -178.8756 -0.5959 179.0542 179.896 -0.4539 69.1807 -51.7823 -171.1146 -50.1694 -171.1324 69.5354 -169.7635 69.2735 -50.0587 53.109 -68.0282 176.2437 171.6344 50.4972 -65.2309 -67.3381 171.5247 55.7965 116.0639 -121.9417 -1.772 -67.3188 55.7515 171.4864 53.2386 176.3089 -67.9563 171.7688 -65.1609 50.574 -54.4692 66.7712 -176.485 -176.524 -55.2836 61.4601 65.7161 -173.0435 -56.2998 54.1036 175.712 -67.2067 -67.1691 54.4393 171.5206 175.7287 -62.6629 54.4184 -54.3481 65.7627 -176.4889 -176.3665 -56.2557 61.4927 66.9069 -172.9823 -55.2339 178.2069 -3.4564 -2.6343 175.7024 177.9312 -1.4337 -0.4545 -179.8194 -177.7421 1.4398 0.5912 179.7731 -178.7365 -0.1898 0.629 179.1757 -0.0866 179.4555 -179.2568 0.2854 179.2308 -0.4569 0.7059 -178.9819 -0.5756 179.112 179.8815 -0.4309 -169.069 -53.7175 70.3325 -45.4354 69.9161 -166.0339 -45.636 69.7206 -166.2093 -169.2349 -53.8782 70.1919 -168.9263 -53.565 70.5018 -45.3242 70.037 -165.8961 25.8179 -156.4286 -94.3693 83.3842 150.9398 -31.3068 25.9131 -156.3365 -94.2374 83.5129 151.0772 -31.1724 25.7368 -156.4842 -94.4226 83.3564 150.8694 -31.3516 -0.7138 178.6559 176.9383 -3.9788 -3.6578 175.4251 178.3965 -0.8219 -0.7105 -179.9289 -178.4475 0.8274 0.6306 179.9055 177.7674 0.0009 -3.0143 179.2192 0.1495 179.4223 -179.1155 0.1573 -177.0526 2.9931 0.7947 -179.1596 -0.879 179.0753 179.8467 -0.199 -0.7778 178.5485 177.6894 -3.2492 -2.9481 176.1133 178.3709 -0.801 -0.7149 -179.8868 -178.4724 0.8278 0.5843 179.8845 177.8289 0.0595 -2.9987 179.2319 0.1915 179.4889 -179.0988 0.1986 -177.1182 2.9288 0.7315 -179.2214 -0.8653 179.0876 179.8357 -0.2113 -0.848 178.393 178.2389 -2.8157 -2.4785 176.467 178.1835 -0.9012 -0.7903 -179.875 -178.3174 0.9572 0.6221 179.8968 177.9084 0.1122 -3.007 179.1969 0.2115 179.4947 -179.0532 0.23 -177.1355 2.9157 0.7381 -179.2107 -0.9082 179.0405 179.807 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0.0264019 0.0176945 0.0176346 -14.32823 -14.32820 -14.32812 -10.23090 -10.23085 -10.23079 -10.23067 -10.23066 -10.23066 -10.21438 -10.21436 -10.21433 -10.21173 -10.21171 -10.21162 -10.21010 -10.21002 -10.20997 -10.20976 -10.20973 -10.20969 -10.20258 -10.20257 -10.20256 -10.20169 -10.20166 -10.20165 -10.20146 -10.20145 -10.20143 -10.20046 -10.20041 -10.20038 -10.19600 -10.19595 -10.19594 -10.19544 -10.19542 -10.19541 -10.19520 -10.19516 -10.19515 -10.19498 -10.19497 -10.19495 -10.19473 -10.19473 -10.19470 -10.19328 -10.19327 -10.19325 -10.19304 -10.19295 -10.19295 -10.19170 -10.19170 -10.19169 -10.17139 -10.17129 -10.17121 -10.17111 -10.17107 -10.17103 -10.16808 -10.16801 -10.16801 -10.16785 -10.16780 -10.16780 -0.93865 -0.93515 -0.93506 -0.93504 -0.93323 -0.91966 -0.91963 -0.91946 -0.86542 -0.86539 -0.86299 -0.86296 -0.85966 -0.85673 -0.81430 -0.81427 -0.81265 -0.78215 -0.78211 -0.77946 -0.77942 -0.76766 -0.76581 -0.76229 -0.76223 -0.76134 -0.76132 -0.75244 -0.75171 -0.73137 -0.73134 -0.73078 -0.72556 -0.72552 -0.72394 -0.69361 -0.69359 -0.69176 -0.69172 -0.65493 -0.65407 -0.65404 -0.63605 -0.63516 -0.63261 -0.63258 -0.62870 -0.60528 -0.60524 -0.60441 -0.60437 -0.60015 -0.59914 -0.59908 -0.59650 -0.59505 -0.59502 -0.58671 -0.58214 -0.56816 -0.56813 -0.56350 -0.54590 -0.54587 -0.54028 -0.52696 -0.52693 -0.52123 -0.51659 -0.51294 -0.51292 -0.51184 -0.51035 -0.51033 -0.48858 -0.48854 -0.48586 -0.48292 -0.48290 -0.48185 -0.48180 -0.47921 -0.47607 -0.47171 -0.47167 -0.46966 -0.46865 -0.46860 -0.46236 -0.46233 -0.46166 -0.45431 -0.44918 -0.44912 -0.44641 -0.44346 -0.44339 -0.43888 -0.43885 -0.43848 -0.43342 -0.43339 -0.43221 -0.42769 -0.42260 -0.42127 -0.42124 -0.41740 -0.41647 -0.41643 -0.40851 -0.40847 -0.40451 -0.40369 -0.40367 -0.40115 -0.40108 -0.39749 -0.39300 -0.39294 -0.39094 -0.38914 -0.38911 -0.38738 -0.38486 -0.38396 -0.38394 -0.37540 -0.37461 -0.37451 -0.37251 -0.37196 -0.37194 -0.37007 -0.36841 -0.36838 -0.36636 -0.36636 -0.35670 -0.35372 -0.35368 -0.35002 -0.34598 -0.34576 -0.34571 -0.34258 -0.34174 -0.34169 -0.34165 -0.33706 -0.33700 -0.33572 -0.33566 -0.33004 -0.32646 -0.32642 -0.32585 -0.32434 -0.32432 -0.31530 -0.31366 -0.31364 -0.29665 -0.29595 -0.29592 -0.29189 -0.29075 -0.29072 -0.26309 -0.26026 -0.25697 -0.25693 -0.25685 -0.25411 -0.25409 -0.25190 -0.25188 -0.25183 -0.25110 -0.25109 -0.24916 -0.24293 -0.24291 -0.23870 -0.23493 -0.23491 -0.22604 -0.22358 -0.05610 -0.05565 -0.05563 -0.04794 -0.04692 -0.04689 -0.02473 -0.01444 -0.01336 -0.01328 -0.01299 -0.01295 -0.00269 0.00673 0.00917 0.00923 0.00933 0.01484 0.01487 0.01703 0.01987 0.01991 0.02149 0.02271 0.02272 0.02495 0.02692 0.03016 0.03020 0.03025 0.03205 0.03212 0.03400 0.03405 0.03432 0.03615 0.03661 0.03666 0.04109 0.04116 0.04266 0.04458 0.04467 0.04521 0.04951 0.04960 0.05265 0.05269 0.05322 0.05677 0.05688 0.05853 0.06127 0.06133 0.06156 0.06604 0.06758 0.06791 0.06798 0.07005 0.07034 0.07072 0.07373 0.07378 0.07631 0.07643 0.07662 0.07835 0.08120 0.08232 0.08252 0.08710 0.08729 0.08928 0.09052 0.09169 0.09187 0.09386 0.09419 0.09432 0.09714 0.09730 0.09874 0.10273 0.10286 0.10295 0.10683 0.10694 0.11125 0.11183 0.11197 0.11279 0.11442 0.11455 0.11523 0.11822 0.11823 0.12060 0.12114 0.12134 0.12208 0.12438 0.12448 0.12545 0.12685 0.12692 0.12917 0.12981 0.12995 0.13022 0.13029 0.13283 0.13603 0.13949 0.13957 0.14197 0.14201 0.14324 0.14498 0.14530 0.14545 0.14551 0.14742 0.14756 0.14847 0.14865 0.15099 0.15235 0.15244 0.15317 0.15321 0.15555 0.15656 0.15669 0.15887 0.16007 0.16024 0.16041 0.16377 0.16390 0.16523 0.16766 0.16793 0.16970 0.17178 0.17182 0.17194 0.17396 0.17403 0.17491 0.17580 0.17794 0.17810 0.17959 0.18070 0.18088 0.18251 0.18255 0.18274 0.18543 0.18550 0.18665 0.18910 0.18922 0.18934 0.18994 0.19019 0.19148 0.19204 0.19206 0.19357 0.19483 0.19497 0.19596 0.19648 0.19662 0.19718 0.19924 0.19953 0.19960 0.20279 0.20288 0.20346 0.20671 0.20688 0.20783 0.20891 0.21089 0.21094 0.21185 0.21288 0.21301 0.21445 0.21470 0.21489 0.21612 0.21623 0.22060 0.22071 0.22088 0.22280 0.22387 0.22427 0.22553 0.22659 0.22682 0.22792 0.22858 0.22999 0.23021 0.23095 0.23100 0.23331 0.23335 0.23396 0.23869 0.23921 0.23951 0.24096 0.24106 0.24166 0.24272 0.24280 0.24392 0.24402 0.24442 0.24602 0.24610 0.24659 0.24731 0.24747 0.24767 0.24997 0.25006 0.25125 0.25148 0.25183 0.25357 0.25639 0.25756 0.25784 0.25801 0.26099 0.26104 0.26140 0.26342 0.26442 0.26462 0.26607 0.26608 0.26776 0.26779 0.26804 0.26846 0.26893 0.26911 0.27114 0.27120 0.27293 0.27431 0.27494 0.27513 0.27557 0.27692 0.27696 0.27806 0.28017 0.28037 0.28122 0.28156 0.28172 0.28277 0.28528 0.28544 0.28608 0.28702 0.28879 0.28884 0.29185 0.29197 0.29266 0.29385 0.29401 0.29432 0.29657 0.29686 0.29696 0.29854 0.29865 0.29986 0.30077 0.30088 0.30382 0.30389 0.30530 0.30628 0.30915 0.30929 0.30939 0.31235 0.31304 0.31316 0.31520 0.31535 0.31543 0.31730 0.31822 0.31854 0.32034 0.32051 0.32163 0.32454 0.32463 0.32653 0.32666 0.32691 0.33011 0.33015 0.33251 0.33375 0.33424 0.33455 0.33774 0.33985 0.33989 0.34003 0.34240 0.34261 0.34286 0.34446 0.34619 0.34630 0.34795 0.34820 0.34929 0.35125 0.35310 0.35329 0.35388 0.35411 0.35677 0.35695 0.35703 0.36030 0.36517 0.36570 0.36576 0.36640 0.36659 0.37036 0.37102 0.37130 0.37156 0.37365 0.37506 0.37722 0.37734 0.37770 0.37800 0.38165 0.38207 0.38238 0.38475 0.38558 0.38629 0.39051 0.39203 0.39210 0.39384 0.39701 0.39715 0.40031 0.40074 0.40430 0.40447 0.40493 0.40897 0.41111 0.41137 0.41348 0.41442 0.41455 0.41602 0.41941 0.41999 0.42009 0.42299 0.42344 0.42367 0.42631 0.42682 0.42847 0.42979 0.43040 0.43072 0.43724 0.43766 0.44094 0.44144 0.44199 0.44511 0.44580 0.44601 0.44971 0.45531 0.45544 0.45739 0.46043 0.46053 0.46463 0.46664 0.46698 0.46957 0.47006 0.47385 0.47618 0.47652 0.47887 0.48348 0.48809 0.48839 0.49036 0.49305 0.49350 0.49387 0.49460 0.49604 0.49946 0.49996 0.50335 0.51082 0.51141 0.51178 0.51402 0.51630 0.51631 0.51839 0.52573 0.53003 0.53025 0.53187 0.53207 0.55149 0.55463 0.56061 0.56070 0.56234 0.56247 0.56477 0.59370 0.60294 0.60303 0.61120 0.61130 0.61282 0.62655 0.62662 0.62879 0.63265 0.63270 0.63301 0.67081 0.67986 0.68006 0.68622 0.69044 0.69104 0.69280 0.69607 0.69614 0.70570 0.70622 0.70628 0.70984 0.71237 0.71247 0.71456 0.71660 0.71675 0.72082 0.72094 0.72252 0.72514 0.72549 0.72794 0.73298 0.73432 0.73439 0.73735 0.73838 0.73860 0.73978 0.74024 0.74235 0.74849 0.74879 0.74899 0.74994 0.75026 0.75320 0.75411 0.75523 0.75541 0.75799 0.75825 0.75891 0.76326 0.76437 0.76446 0.76937 0.76959 0.77185 0.77443 0.77456 0.77532 0.77656 0.77795 0.77804 0.78216 0.78226 0.78352 0.78384 0.78471 0.79022 0.79057 0.79081 0.79388 0.79454 0.79478 0.79807 0.80257 0.80293 0.80796 0.81125 0.81142 0.81519 0.81683 0.81698 0.81725 0.82004 0.82021 0.82119 0.82343 0.82591 0.82608 0.83227 0.83330 0.83382 0.83397 0.83753 0.83782 0.84277 0.84383 0.84398 0.84626 0.84687 0.85037 0.85502 0.85516 0.85572 0.86319 0.86369 0.86394 0.86637 0.86948 0.86993 0.87238 0.87417 0.87439 0.87872 0.87938 0.88277 0.88302 0.88304 0.88738 0.89299 0.89334 0.89439 0.89840 0.89906 0.90071 0.90220 0.90586 0.90592 0.90621 0.91153 0.91184 0.91255 0.91267 0.91682 0.91769 0.91778 0.92497 0.92736 0.92753 0.92790 0.93895 0.95145 0.95272 0.95299 0.95665 0.95709 0.96416 0.97033 0.97042 0.97694 0.97707 0.97770 0.98253 0.98256 0.98298 0.99207 0.99218 0.99682 0.99709 0.99727 0.99811 1.00104 1.00356 1.00384 1.01184 1.01203 1.01778 1.02054 1.02094 1.02114 1.02813 1.02857 1.03127 1.03138 1.03284 1.03308 1.03494 1.03900 1.03908 1.04295 1.04716 1.04744 1.04987 1.05430 1.05467 1.05557 1.06095 1.06113 1.06552 1.06574 1.07144 1.07184 1.07186 1.07531 1.07756 1.07786 1.08079 1.09198 1.09234 1.09299 1.09622 1.09658 1.09781 1.10269 1.10311 1.10392 1.11228 1.11268 1.11915 1.12521 1.12560 1.12569 1.12825 1.12862 1.13268 1.13493 1.13506 1.13553 1.13721 1.13760 1.13901 1.14253 1.14772 1.14794 1.15220 1.15639 1.15647 1.15655 1.15999 1.16006 1.16388 1.16559 1.16590 1.16692 1.16723 1.17351 1.17471 1.17505 1.18291 1.18401 1.18477 1.18638 1.18674 1.18721 1.19131 1.20046 1.20060 1.20145 1.20577 1.20614 1.20681 1.21077 1.21393 1.21431 1.21438 1.21619 1.21650 1.22386 1.22610 1.22630 1.22762 1.23348 1.23398 1.23682 1.23759 1.23788 1.24540 1.24835 1.24851 1.25045 1.25438 1.25497 1.25884 1.25902 1.25972 1.26709 1.27233 1.27256 1.27440 1.27722 1.28125 1.28133 1.28613 1.28964 1.28978 1.29282 1.29361 1.29832 1.30258 1.30305 1.30353 1.30769 1.31032 1.31039 1.31234 1.32058 1.32080 1.32131 1.32401 1.32573 1.32607 1.32629 1.33137 1.33145 1.33314 1.34111 1.34386 1.34440 1.35087 1.35215 1.35236 1.35720 1.35763 1.36691 1.36746 1.36932 1.37577 1.37655 1.37710 1.38734 1.38749 1.39628 1.39683 1.39704 1.39919 1.40677 1.41428 1.41477 1.42616 1.42634 1.42903 1.43329 1.43360 1.43729 1.43769 1.44823 1.45739 1.46305 1.46324 1.46635 1.46682 1.46707 1.47453 1.47467 1.47511 1.48280 1.48438 1.48485 1.48912 1.48926 1.48953 1.49523 1.49585 1.49613 1.49831 1.50014 1.50025 1.50267 1.50552 1.50693 1.50705 1.51675 1.51847 1.51864 1.52224 1.52452 1.52459 1.52901 1.52947 1.53154 1.53609 1.53637 1.53891 1.54598 1.54603 1.55665 1.56373 1.56510 1.56547 1.57469 1.57537 1.59340 1.60457 1.60471 1.61206 1.61404 1.61456 1.62130 1.62227 1.62332 1.63833 1.65166 1.65194 1.65729 1.65943 1.65946 1.66822 1.66961 1.67008 1.68136 1.68217 1.68532 1.70122 1.70687 1.70713 1.71557 1.71869 1.71881 1.73704 1.74970 1.75628 1.75666 1.77776 1.77793 1.79314 1.79569 1.79579 1.80385 1.80402 1.80467 1.80929 1.80938 1.81060 1.81357 1.81673 1.81702 1.82487 1.82537 1.83410 1.84172 1.84181 1.84635 1.85072 1.85086 1.85253 1.86286 1.86439 1.86462 1.87496 1.87512 1.87878 1.88001 1.88011 1.88541 1.88599 1.88620 1.89959 1.90490 1.90506 1.90994 1.90996 1.91142 1.91602 1.91824 1.91833 1.92088 1.92443 1.92534 1.92556 1.93475 1.93481 1.94048 1.94480 1.94496 1.95457 1.95616 1.95879 1.95885 1.96613 1.97239 1.97259 1.97263 1.97591 1.97619 1.98116 1.98465 1.98497 1.98781 1.99686 1.99902 1.99908 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3.23633 3.23895 3.23907 3.27066 3.27098 3.27107 3.42736 3.43041 3.43080 3.43082 3.43372 3.43375 4.24101 4.26485 4.26492 4.26981 4.28706 4.28927 4.28951 4.30474 4.31462 4.31627 4.31668 4.32017 4.32045 4.33594 4.33840 4.33848 4.36648 4.37063 4.37077 4.37438 4.37729 4.37746 4.37848 4.38687 4.38744 4.39048 4.40333 4.40348 4.41152 4.41182 4.41260 4.41844 4.42951 4.43909 4.43940 4.44555 4.44570 4.45133 4.45183 4.45364 4.46025 4.46962 4.47015 4.47065 4.47495 4.47545 4.48069 4.49519 4.51090 4.51112 4.53797 4.53815 4.54030 4.60581 4.61787 4.61807 4.62596 4.62650 4.62717 4.70432 4.70449 4.70515 4.72174 4.73015 4.73041 4.77027 4.77063 4.77099 4.78188 4.78204 4.79140 4.81044 4.81095 4.81905 -0.1499 -0.0326 0.0006 0.1534 -350.9996 -466.6046 -467.2361 -0.0243 -0.0513 -0.0509 77.2805 -38.3245 -38.9560 -0.0243 -0.0513 -0.0509 -0.8244 -86.2360 -23.7116 -10.4000 -0.3161 -0.0695 -9.9024 88.2140 24.1388 0.4625 -45313.0331 -27256.7552 -27545.2344 -7.4649 43.3745 99.4675 -11.8156 -546.7976 -12.3232 -12861.9248 -12909.9625 -9134.2250 -4.9738 618.6063 -103.5377 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 0 904.7598000000008 AuxInfo=1/0/N:8,9,24,38,25,37,129,16,142,116,32,45,126,14,139,113,30,43,131,17,144,118,33,46,7,10,23,39,26,36,125,13,138,112,29,42,122,11,135,109,27,40,99,20,101,100,18,19,124,12,137,111,28,41,127,15,140,114,31,44,6,5,22,34,21,35,121,1,134,108,3,4,98,2/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:146N2NN2N2CCCCCCC3C3C3C3C3C3C3CCCCCCCCCC3C3C3C3C3C3C3CCCCCCC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHNCCCHHHHHHN2C3HC3C3C3C3HC3HC3HHN2C3HC3C3C3C3HC3HC3HHN2C3HC3C3C3C3HC3HC3HH/rB:;;;s1;s5;s6;s7;s8;s5s9;s1;s11;s12;s12;s13;s14;s15s16;s2;s2;s2s15;s3;s21;s22;s23;s24;s21s25;s3;s27;s28;s28;s18s29;s30;s31s32;;s4s34;s35;s36;s37;s34s38;s4;s40;s41;s41;s19s42;s43;s44s45;s7;s6;s5;s8;s8;s9;s9;s10;s10;s7;s11;s13;s14;s16;s17;s18;s18;s19;s19;s20;s20;s23;s22;s21;s24;s24;s25;s25;s26;s26;s23;s27;s29;s30;s32;s33;s36;s35;s34;s37;s37;s38;s38;s39;s39;s36;s40;s42;s43;s45;s46;;s98;s98;s98;s99;s99;s100;s100;s101;s101;s34;s108;s109;s109;s111;s111;s100s112;s112;s113;s113;s114s116;s116;s118;s6;s121;s122;s122;s124;s124;s99s125;s125;s126;s126;s127s129;s129;s131;s22;s134;s135;s135;s137;s137;s101s138;s138;s139;s139;s140s142;s142;s144;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.0237220 0.0173456 0.0173084 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= 1293 1285 1285 1289 1293 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= 1.06D-06 NBF= 1550 NBsUse= 1536 1.00D-06 EigRej= 7.90D-07 NBFU= 1536 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= 1329 1318 1318 1318 1329 MxSgAt= 146 MxSgA2= 146. 1 -5.89676221e-02 -1.28155978e-02 2.36141424e-04 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 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7 6 6 6 1 1 1 1 1 1 7 6 1 6 6 6 6 1 6 1 6 1 1 7 6 1 6 6 6 6 1 6 1 6 1 1 7 6 1 6 6 6 6 1 6 1 6 1 1 -0.000320834 -0.000100359 0.001101921 0.002435545 -0.000002475 0.000016368 -0.000330184 0.000996092 -0.000468923 -0.000308797 -0.000902767 -0.000640515 -0.000342261 -0.000450058 -0.000155614 0.000304210 0.000144160 -0.000492449 -0.000239805 0.000443371 -0.000571169 -0.000285246 -0.000118449 -0.000903553 0.000226953 -0.000646646 -0.000661661 0.000214384 -0.000724705 -0.000011841 0.001029021 0.000139155 0.001080618 -0.000192779 -0.000075749 -0.000360920 -0.000449541 -0.000978632 -0.000063137 -0.000646546 -0.000111480 -0.000733993 0.000828654 -0.000429483 -0.000094887 0.000758134 0.000192064 -0.001712894 0.001363623 -0.000238166 0.000090063 -0.000323889 0.000412507 0.001442692 -0.000307278 0.001012428 -0.001100736 -0.000307874 -0.001474876 -0.000338259 -0.000339197 0.000100461 0.000458448 0.000306049 -0.000486466 0.000134226 -0.000237791 -0.000713543 -0.000077757 -0.000276735 -0.000706882 0.000574343 0.000232958 -0.000221875 0.000896743 0.000227124 0.000369082 0.000625234 0.001017700 0.000837139 -0.000674826 -0.000193063 -0.000280507 0.000243736 -0.000446776 0.000456186 0.000847838 -0.000657016 -0.000576793 0.000466470 0.000841045 0.000124545 0.000411997 0.000747230 -0.001587023 0.000685522 0.001351376 0.000192692 0.000148098 0.000312153 0.000348213 0.000369282 -0.000341401 0.000349899 -0.000313407 0.000214300 0.000367609 -0.000626025 0.000227857 0.000890943 -0.000237372 -0.000276876 0.000847769 0.000346420 -0.000242914 0.000276391 0.000671225 0.001022017 -0.001013692 -0.000411794 -0.000189303 0.000348790 0.000119108 -0.000427202 0.000524551 -0.000819177 -0.000645755 0.000695428 0.000263444 0.000842762 0.000293179 -0.000320021 0.000756567 0.001390166 0.001023188 0.001364834 0.000049520 -0.000258938 -0.000415509 0.000563895 -0.000415636 -0.000470765 0.000481053 0.000249455 0.000518565 -0.000120897 0.000495084 -0.000510597 -0.000445336 -0.000580765 0.000097276 0.000144393 -0.000739138 -0.000134459 -0.000674486 -0.000328432 0.000453942 -0.000205066 -0.000746506 -0.000183262 -0.000892309 0.000128998 0.000398315 -0.000692154 0.000172657 0.000159194 0.000635639 -0.000638067 -0.000520553 -0.000239418 0.000247353 -0.000414777 -0.000491693 0.000171858 0.000329347 0.000124706 -0.000768054 0.000285446 0.000094026 -0.000608783 0.000598509 0.000138661 -0.000456620 0.000645511 -0.000160155 -0.000355072 0.000217655 -0.000112525 0.000550755 0.000647780 -0.000235238 0.000316786 0.000228334 0.000546906 -0.000170274 0.000641972 0.000383252 0.000044071 0.000232389 -0.000412502 -0.000352573 -0.000414385 -0.000653773 -0.000263887 -0.000475214 -0.000043385 -0.000541813 0.000524118 0.000479360 -0.000167237 -0.000505839 -0.000262272 0.000689676 0.000101716 -0.000704043 0.000266366 -0.000132669 0.000074645 0.000745969 0.000464290 -0.000527580 0.000562628 -0.000183408 0.000580577 0.000695704 0.000398544 0.000512350 0.000495816 0.000165970 -0.000878976 -0.000203520 -0.000552005 0.000363174 0.000083452 -0.000407843 0.000388484 0.000344497 0.000322120 -0.000733997 0.000271741 0.000279752 -0.000579581 0.000220170 0.000595771 -0.000460177 0.000110807 0.000400688 0.000190949 -0.000688225 0.000547555 -0.000360581 -0.000331070 -0.000493221 -0.000450709 0.000271574 0.000455209 0.000749233 0.000188263 -0.000135683 0.000619138 -0.000420324 0.000097662 0.000569767 0.000490716 -0.000509432 0.000734630 -0.000097928 0.000164453 0.000245943 0.000872037 -0.000413796 0.000081064 0.000700185 -0.000184831 0.000334557 -0.000844310 -0.000552870 -0.000098154 -0.000357705 -0.000428021 0.000107881 -0.000506776 0.000326007 0.000607224 0.000489931 0.000283021 0.000479131 0.000390449 0.000584442 0.000330628 0.000351776 -0.001584890 -0.000006389 -0.000005729 -0.000014908 -0.000520064 0.000462074 -0.000022838 -0.000151353 -0.000675440 -0.000029463 0.000666683 0.000222426 -0.000293219 -0.000743758 0.000057919 -0.000826865 0.000123380 -0.000199573 -0.000286744 0.000321906 -0.000671564 -0.000821260 0.000097285 0.000197738 -0.000295333 0.000420563 0.000620850 -0.000806320 -0.000230680 -0.000023024 0.000280735 -0.000925754 0.000616619 -0.000829102 -0.001024104 0.000199860 0.000576870 -0.000047654 0.000318204 0.000193914 0.000322317 -0.000154048 0.000611170 0.000414234 0.000020745 0.000445619 0.000842254 -0.000219986 -0.000841807 -0.000090669 -0.000793055 0.000518613 -0.000021610 0.000023256 -0.000628577 0.001542877 -0.000963062 -0.000348900 0.000622487 -0.000432416 -0.001213557 -0.000560839 -0.000506823 -0.000278109 0.000457113 -0.000374936 -0.000614490 0.000172803 -0.000330375 0.000285145 0.000994952 0.000481181 -0.000834473 0.000671347 0.000798840 0.000578853 0.000294423 -0.000107111 0.000195538 -0.000288907 -0.000201578 0.000607063 -0.000168907 -0.000366647 0.000454258 -0.000615067 -0.000609605 -0.000834617 -0.000642901 0.000471431 0.000499477 0.000043683 0.000001266 -0.000618756 -0.001615596 -0.000845451 -0.000350193 -0.000690047 -0.000317837 -0.001206897 -0.000151683 0.000743770 -0.000275598 -0.000556184 -0.000204667 -0.000621524 -0.000373627 0.000020687 0.000270206 -0.000112194 -0.001103036 -0.000846159 0.000326862 -0.000994903 0.000572468 -0.000250126 -0.000197322 0.000190761 -0.000025175 0.000357480 0.000624073 -0.000215949 0.000342286 0.000438894 -0.000233378 0.000841647 -0.000835372 0.000714162 0.000306258 0.000516403 -0.000017310 -0.000020713 -0.000641126 0.000069407 0.001813270 -0.000349210 0.000070085 0.000752176 -0.001230251 0.000706639 -0.000244173 -0.000279873 0.000099491 0.000582603 -0.000621476 0.000197000 0.000307312 0.002435545 0.000570166 (Enter /opt/share/sw/Gaussian/g16/l716.exe) Closed 1 1 1 -2996.54463538545 -2996.54463699438 -0.000001608931 -2996.54463698474 0.000000009642 -2996.54463701791 -0.000000033177 -2996.54463701892 -0.000000001008 -2996.54463701968 -0.000000000760 -2996.54463701990 -0.000000000216 -2996.54463702002 -0.000000000127 -2996.54463702 8 2.967334339419e+03 -2.923955334818e+04 1.212570436743e+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) PT264002.400S Sat Oct 22 03:18:08 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 N N C C C C C C C C C C C C C C C C C C C C C 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 H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H N C C C H H H H H H N C H C C C C H C H C H H N C H C C C C H C H C H H N C H C C C C H C H C H H 0.182371 0.107177 0.184716 0.184439 -0.173046 -0.162703 -0.351598 -0.447427 -0.465365 -0.310552 -0.280305 0.087095 -0.977231 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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 N N C C C C C C C C C C C C C C C C C C C C C 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 H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H N C C C H H H H H H N C H C C C C H C H C H H N C H C C C C H C H C H H N C H C C C C H C H C H H 0.168770 0.096447 0.168809 0.169004 -0.146773 -0.145309 -0.358081 -0.452452 -0.464448 -0.337810 -0.239718 0.155837 -0.878094 0.295069 0.071617 -0.589492 0.082332 -0.642450 -0.640019 -0.640684 -0.151144 -0.141004 -0.358278 -0.452226 -0.464276 -0.339405 -0.236375 0.155012 -0.879127 0.294385 0.067084 -0.589920 0.088434 -0.158158 -0.136231 -0.337564 -0.463009 -0.453967 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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 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14 12 12 12 1 1 1 1 1 1 14 12 1 12 12 12 12 1 12 1 12 1 1 14 12 1 12 12 12 12 1 12 1 12 1 1 14 12 1 12 12 12 12 1 12 1 12 1 1 14.0030740 14.0030740 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 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 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 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 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 14.0030740 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 14.0030740 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 2 2 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 0 0 0 1 1 1 1 1 1 2 0 1 0 0 0 0 1 0 1 0 1 1 2 0 1 0 0 0 0 1 0 1 0 1 1 2 0 1 0 0 0 0 1 0 1 0 1 1 4.5500000 4.5500000 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 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 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 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 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 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 4.5500000 3.6000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 4.5500000 3.6000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 4.5500000 3.6000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 (Enter /opt/share/sw/Gaussian/g16/l101.exe) Structure from the checkpoint file: "CTAT_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 2 3 3 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 18 18 18 19 19 19 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 27 27 28 28 29 29 30 30 31 32 32 33 34 34 34 34 35 35 36 36 36 37 37 37 38 38 38 39 39 40 40 41 41 42 42 43 43 44 45 45 46 98 98 98 99 99 99 100 100 100 101 101 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1.5597 1.5435 1.1035 1.5436 1.1037 1.4597 1.5369 1.098 1.0976 1.5366 1.0982 1.0984 1.5369 1.0984 1.0982 1.0975 1.0979 1.4762 1.1025 1.4024 1.4083 1.4031 1.0888 1.3914 1.0858 1.4 1.4025 1.0874 1.0881 1.5598 1.5434 1.1035 1.4594 1.5437 1.1034 1.5368 1.0979 1.0976 1.5367 1.0982 1.0984 1.537 1.0984 1.0982 1.0976 1.0979 1.4762 1.1025 1.4023 1.4084 1.403 1.0886 1.3914 1.0858 1.4 1.4026 1.0874 1.0881 1.4683 1.4683 1.4684 1.0962 1.1072 1.5204 1.0963 1.1072 1.5205 1.0962 1.1072 1.5205 1.2764 1.1026 1.4764 1.4049 1.406 1.4008 1.087 1.3929 1.0857 1.4021 1.3999 1.0874 1.0885 1.2765 1.1024 1.4764 1.405 1.4059 1.4007 1.0871 1.3928 1.0856 1.402 1.3999 1.0874 1.0884 1.2764 1.1026 1.4764 1.4049 1.4059 1.4007 1.0869 1.3929 1.0857 1.4021 1.3999 1.0874 1.0884 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 5 18 18 19 21 35 1 1 1 6 6 10 5 5 5 7 7 48 6 6 6 8 8 47 7 7 7 9 9 50 8 8 8 10 10 52 5 5 5 9 9 54 1 1 12 11 11 13 12 12 15 12 12 16 13 13 17 14 14 17 15 15 16 2 2 2 31 31 62 2 2 2 44 44 64 2 2 2 15 15 66 3 3 3 22 22 26 21 21 21 23 23 69 22 22 22 24 24 68 23 23 23 25 25 71 24 24 24 26 26 73 21 21 21 25 25 75 3 3 28 27 27 29 28 28 31 28 28 32 18 18 29 30 30 33 31 31 32 35 35 35 39 39 85 4 4 4 34 34 36 35 35 35 37 37 83 36 36 36 38 38 86 37 37 37 39 39 88 34 34 34 38 38 90 4 4 41 40 40 42 41 41 44 41 41 45 19 19 42 43 43 46 44 44 45 99 99 100 98 98 98 102 102 103 98 98 98 104 104 105 98 98 98 106 106 107 34 108 108 110 109 109 112 111 111 114 111 111 116 100 100 112 113 113 118 114 114 116 6 121 121 123 122 122 125 124 124 127 124 124 129 99 99 125 126 126 131 127 127 129 22 134 134 136 135 135 138 137 137 140 137 137 142 101 101 138 139 139 144 140 140 142 1 2 2 2 3 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 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 27 27 27 28 28 28 29 29 29 30 30 30 31 31 31 32 32 32 33 33 33 34 34 34 34 34 34 35 35 35 35 35 35 36 36 36 36 36 36 37 37 37 37 37 37 38 38 38 38 38 38 39 39 39 39 39 39 40 40 40 41 41 41 42 42 42 43 43 43 44 44 44 45 45 45 46 46 46 98 98 98 99 99 99 99 99 99 100 100 100 100 100 100 101 101 101 101 101 101 108 109 109 109 111 111 111 112 112 112 113 113 113 114 114 114 116 116 116 118 118 118 121 122 122 122 124 124 124 125 125 125 126 126 126 127 127 127 129 129 129 131 131 131 134 135 135 135 137 137 137 138 138 138 139 139 139 140 140 140 142 142 142 144 144 144 11 19 20 20 27 40 6 10 49 10 49 49 7 48 121 48 121 121 8 47 56 47 56 56 9 50 51 50 51 51 10 52 53 52 53 53 9 54 55 54 55 55 12 57 57 13 14 14 15 58 58 16 59 59 17 20 20 17 60 60 16 61 61 31 62 63 62 63 63 44 64 65 64 65 65 15 66 67 66 67 67 22 26 70 26 70 70 23 69 134 69 134 134 24 68 77 68 77 77 25 71 72 71 72 72 26 73 74 73 74 74 25 75 76 75 76 76 28 78 78 29 30 30 31 79 79 32 80 80 29 33 33 33 81 81 32 82 82 39 85 108 85 108 108 34 36 84 36 84 84 37 83 92 83 92 92 38 86 87 86 87 87 39 88 89 88 89 89 38 90 91 90 91 91 41 93 93 42 43 43 44 94 94 45 95 95 42 46 46 46 96 96 45 97 97 100 101 101 102 103 127 103 127 127 104 105 114 105 114 114 106 107 140 107 140 140 109 110 111 111 112 113 113 114 115 115 116 117 117 112 118 118 118 119 119 116 120 120 122 123 124 124 125 126 126 127 128 128 129 130 130 125 131 131 131 132 132 129 133 133 135 136 137 137 138 139 139 140 141 141 142 143 143 138 144 144 144 145 145 142 146 146 118.2686 110.7944 110.8204 110.778 118.2001 118.2444 108.9301 109.6307 110.4813 111.2707 107.5663 108.9445 111.3112 107.6429 108.707 108.9884 109.7156 110.4576 112.8814 108.7617 107.7995 110.5514 109.5775 107.0666 111.4363 109.4803 109.4407 109.439 110.1268 106.8044 111.4398 110.1188 109.4489 109.4397 109.4777 106.8025 112.8954 107.7872 108.755 109.5739 110.5533 107.0725 123.5172 121.2985 115.1796 118.8473 122.0225 119.1108 121.5024 119.2371 119.2578 119.9177 119.333 120.7435 118.3926 120.1109 121.4793 120.3153 119.9416 119.7414 120.7564 119.5568 119.6858 113.834 110.6548 107.1498 109.5688 108.4667 106.8837 113.7968 110.662 107.1532 109.6073 108.4293 106.9111 113.8009 110.6654 107.1654 109.5842 108.4592 106.8841 108.9654 109.6289 110.3967 111.2907 107.5628 108.9775 111.3393 107.6369 108.7092 108.9533 109.6936 110.4914 112.9094 108.7469 107.8007 110.5596 109.5666 107.0525 111.4212 109.4988 109.4378 109.4496 110.1212 106.7995 111.4466 110.1163 109.4383 109.4387 109.4888 106.7981 112.9062 107.7967 108.7517 109.5784 110.5437 107.0599 123.4899 121.2357 115.2693 118.9242 121.9439 119.1113 121.4823 119.2885 119.2268 119.9332 119.2959 120.765 120.1286 121.4458 118.407 120.3007 119.9489 119.7486 120.7592 119.5532 119.6866 111.3125 107.6052 108.7397 108.9842 109.7764 110.4016 108.9167 109.6076 110.404 111.3133 107.6204 108.9615 112.9063 108.7323 107.8125 110.5494 109.5829 107.0529 111.4286 109.5095 109.4353 109.454 110.1098 106.7904 111.4459 110.117 109.4419 109.4091 109.537 106.7756 112.9623 107.7451 108.768 109.5458 110.5496 107.0619 123.4626 121.2545 115.2775 118.8873 121.9984 119.0937 121.5112 119.2899 119.1959 119.9274 119.331 120.7365 120.0768 121.5069 118.3998 120.3167 119.9282 119.7536 120.7458 119.5923 119.6612 110.8577 110.8521 110.9126 107.4159 110.8284 115.2268 105.987 108.1676 108.776 107.3883 110.8625 115.2327 105.9894 108.1608 108.7667 107.4186 110.8464 115.1746 105.9859 108.1716 108.8076 118.3472 121.2574 123.416 115.3239 118.7799 121.899 119.3149 121.4007 119.2936 119.3011 119.7358 119.4656 120.7946 122.5949 119.0602 118.3079 120.364 119.9161 119.7159 120.868 119.5056 119.6264 118.3272 121.2057 123.4605 115.3307 118.805 121.8762 119.3123 121.3922 119.3305 119.2722 119.7459 119.4288 120.8215 122.5814 119.0639 118.3179 120.3566 119.9286 119.7111 120.8669 119.5105 119.6226 118.3898 121.2771 123.4542 115.2647 118.7356 121.9456 119.3105 121.4168 119.2861 119.2909 119.7278 119.4637 120.8045 122.545 119.1177 118.3013 120.3734 119.9225 119.7003 120.861 119.5082 119.6308 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate 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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 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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 11 11 11 5 5 19 19 19 20 20 20 18 18 18 20 20 20 18 18 18 19 19 19 27 27 27 21 21 40 40 40 35 35 1 1 1 10 10 10 49 49 49 1 1 1 6 6 6 49 49 49 5 5 5 48 48 48 121 121 121 5 7 48 6 6 6 47 47 47 56 56 56 7 7 7 50 50 50 51 51 51 8 8 8 52 52 52 53 53 53 1 1 57 57 11 11 14 14 11 11 13 13 12 12 58 58 12 12 59 59 13 13 20 20 13 13 13 17 17 17 14 14 60 60 2 2 62 62 63 63 2 2 64 64 65 65 3 3 3 26 26 26 70 70 70 3 3 3 22 22 22 70 70 70 21 21 21 69 69 69 134 134 134 21 23 69 22 22 22 68 68 68 77 77 77 23 23 23 71 71 71 72 72 72 24 24 24 73 73 73 74 74 74 3 3 78 78 27 27 30 30 27 27 29 29 28 28 79 79 28 28 80 80 18 18 29 29 30 30 81 81 39 39 39 85 85 85 108 108 108 35 35 35 85 85 85 108 108 108 35 39 85 4 4 4 34 34 34 84 84 84 35 35 35 83 83 83 92 92 92 36 36 36 86 86 86 87 87 87 37 37 37 88 88 88 89 89 89 4 4 93 93 40 40 43 43 40 40 42 42 41 41 94 94 41 41 95 95 19 19 42 42 43 43 96 96 100 100 100 101 101 101 99 99 99 101 101 101 99 99 99 100 100 100 98 98 102 102 103 103 98 98 104 104 105 105 98 98 106 106 107 107 34 34 108 108 110 110 109 109 113 113 109 109 112 112 111 111 115 115 111 111 117 117 100 100 112 112 113 113 119 119 6 6 121 121 123 123 122 122 126 126 122 122 125 125 124 124 128 128 124 124 130 130 99 99 125 125 126 126 132 132 22 22 134 134 136 136 135 135 139 139 135 135 138 138 137 137 141 141 137 137 143 143 101 101 138 138 139 139 145 145 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 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 9 9 9 9 9 9 9 9 9 11 11 11 11 12 12 12 12 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 15 15 15 15 15 15 16 16 16 16 18 18 18 18 18 18 19 19 19 19 19 19 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 22 22 22 22 22 22 22 22 22 22 22 22 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 27 27 27 27 28 28 28 28 28 28 28 28 29 29 29 29 30 30 30 30 31 31 31 31 32 32 32 32 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 35 35 35 35 35 35 35 35 35 36 36 36 36 36 36 36 36 36 37 37 37 37 37 37 37 37 37 38 38 38 38 38 38 38 38 38 40 40 40 40 41 41 41 41 41 41 41 41 42 42 42 42 43 43 43 43 44 44 44 44 45 45 45 45 98 98 98 98 98 98 98 98 98 98 98 98 98 98 98 98 98 98 99 99 99 99 99 99 100 100 100 100 100 100 101 101 101 101 101 101 108 108 109 109 109 109 111 111 111 111 111 111 111 111 112 112 112 112 113 113 113 113 114 114 114 114 116 116 116 116 121 121 122 122 122 122 124 124 124 124 124 124 124 124 125 125 125 125 126 126 126 126 127 127 127 127 129 129 129 129 134 134 135 135 135 135 137 137 137 137 137 137 137 137 138 138 138 138 139 139 139 139 140 140 140 140 142 142 142 142 5 5 5 11 11 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 27 27 35 35 35 40 40 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 10 10 10 7 7 7 7 7 7 7 7 7 121 121 121 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 20 20 20 20 20 20 17 17 17 17 31 31 31 31 31 31 44 44 44 44 44 44 22 22 22 22 22 22 22 22 22 26 26 26 26 26 26 26 26 26 23 23 23 23 23 23 23 23 23 134 134 134 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 26 26 26 26 26 26 26 26 26 28 28 28 28 29 29 29 29 30 30 30 30 31 31 31 31 32 32 32 32 33 33 33 33 33 33 33 33 35 35 35 35 35 35 35 35 35 39 39 39 39 39 39 39 39 39 108 108 108 36 36 36 36 36 36 36 36 36 37 37 37 37 37 37 37 37 37 38 38 38 38 38 38 38 38 38 39 39 39 39 39 39 39 39 39 41 41 41 41 42 42 42 42 43 43 43 43 44 44 44 44 45 45 45 45 46 46 46 46 46 46 46 46 99 99 99 99 99 99 100 100 100 100 100 100 101 101 101 101 101 101 127 127 127 127 127 127 114 114 114 114 114 114 140 140 140 140 140 140 109 109 111 111 111 111 112 112 112 112 113 113 113 113 114 114 114 114 116 116 116 116 118 118 118 118 118 118 118 118 122 122 124 124 124 124 125 125 125 125 126 126 126 126 127 127 127 127 129 129 129 129 131 131 131 131 131 131 131 131 135 135 137 137 137 137 138 138 138 138 139 139 139 139 140 140 140 140 142 142 142 142 144 144 144 144 144 144 144 144 6 10 49 12 57 31 62 63 31 62 63 44 64 65 44 64 65 15 66 67 15 66 67 22 26 70 28 78 34 36 84 41 93 7 48 121 7 48 121 7 48 121 9 54 55 9 54 55 9 54 55 8 47 56 8 47 56 8 47 56 122 122 122 9 50 51 9 50 51 9 50 51 10 52 53 10 52 53 10 52 53 5 54 55 5 54 55 5 54 55 13 14 13 14 15 58 15 58 16 59 16 59 17 20 17 20 17 60 17 60 16 61 16 61 2 66 67 2 66 67 15 61 15 61 29 33 29 33 29 33 42 46 42 46 42 46 23 69 134 23 69 134 23 69 134 25 75 76 25 75 76 25 75 76 24 68 77 24 68 77 24 68 77 135 135 135 25 71 72 25 71 72 25 71 72 26 73 74 26 73 74 26 73 74 21 75 76 21 75 76 21 75 76 29 30 29 30 31 79 31 79 32 80 32 80 18 33 18 33 33 81 33 81 32 82 32 82 31 82 31 82 4 36 84 4 36 84 4 36 84 38 90 91 38 90 91 38 90 91 109 109 109 37 83 92 37 83 92 37 83 92 38 86 87 38 86 87 38 86 87 39 88 89 39 88 89 39 88 89 34 90 91 34 90 91 34 90 91 42 43 42 43 44 94 44 94 45 95 45 95 19 46 19 46 46 96 46 96 45 97 45 97 44 97 44 97 102 103 127 102 103 127 104 105 114 104 105 114 106 107 140 106 107 140 125 131 125 131 125 131 112 118 112 118 112 118 138 144 138 144 138 144 110 111 112 113 112 113 114 115 114 115 116 117 116 117 100 118 100 118 118 119 118 119 116 120 116 120 114 120 114 120 123 124 125 126 125 126 127 128 127 128 129 130 129 130 99 131 99 131 131 132 131 132 129 133 129 133 127 133 127 133 136 137 138 139 138 139 140 141 140 141 142 143 142 143 101 144 101 144 144 145 144 145 142 146 142 146 140 146 140 146 116.3422 -121.6851 -1.6075 177.9821 -1.1937 163.3751 -72.7178 43.4596 -73.2313 50.6757 166.8531 -73.0191 50.9168 167.1326 163.5629 -72.5012 43.7147 163.5611 -72.5279 43.6645 -73.0359 50.8751 167.0675 115.9264 -122.0549 -1.9907 177.9531 -1.1823 116.8055 -121.1923 -1.1568 177.8429 -1.2673 69.0642 -50.3137 -169.978 -51.9094 -171.2873 69.0484 -171.1622 69.4598 -50.2044 -67.306 171.5347 55.7784 53.256 -67.9033 176.3404 171.6833 50.5239 -65.2324 53.2612 176.3385 -67.9022 171.8348 -65.0879 50.6714 -67.1038 55.9735 171.7328 116.5812 -121.4846 -1.3133 -54.4352 66.7717 -176.4813 -176.512 -55.3051 61.4419 65.7135 -173.0796 -56.3326 54.1333 175.7777 -67.1032 -67.0976 54.5467 171.6658 175.7821 -62.5735 54.5455 -54.4533 65.6865 -176.5326 -176.4909 -56.351 61.4298 66.7665 -173.0937 -55.3129 177.2592 -4.3559 -3.519 174.866 177.9826 -1.4107 -0.4501 -179.8435 -177.7987 1.3415 0.5821 179.7224 -0.164 -178.6752 179.2292 0.718 -0.1034 179.4291 -179.2312 0.3013 0.654 -178.9748 179.1439 -0.4849 -74.0089 161.4972 45.1538 107.5268 -16.9671 -133.3105 -0.5275 179.1009 179.9391 -0.4326 -74.1758 107.4158 161.332 -17.0764 44.9934 -133.415 -74.4276 107.0718 161.0679 -17.4326 44.6965 -133.8041 69.2012 -50.1467 -169.8491 -51.8062 -171.154 69.1435 -171.1088 69.5434 -50.1591 -67.417 171.4047 55.66 53.2008 -67.9774 176.2778 171.6566 50.4783 -65.2664 53.1799 176.276 -67.9884 171.741 -65.1629 50.5728 -67.1915 55.9046 171.6402 116.856 -121.1874 -1.0523 -54.4061 66.8167 -176.4332 -176.4895 -55.2666 61.4835 65.7549 -173.0222 -56.2722 54.1521 175.7981 -67.0958 -67.0995 54.5465 171.6526 175.7832 -62.5708 54.5353 -54.4669 65.6951 -176.5425 -176.5052 -56.3432 61.4191 66.7516 -173.0864 -55.324 176.9451 -4.7232 -3.8725 174.4592 177.9264 -1.5171 -0.4533 -179.8968 -177.6886 1.4335 0.6401 179.7622 -178.7056 -0.2493 0.7383 179.1946 -0.1262 179.3809 -179.2351 0.272 179.2099 -0.4406 0.7749 -178.8756 -0.5959 179.0542 179.896 -0.4539 69.1807 -51.7823 -171.1146 -50.1694 -171.1324 69.5354 -169.7635 69.2735 -50.0587 53.109 -68.0282 176.2437 171.6344 50.4972 -65.2309 -67.3381 171.5247 55.7965 116.0639 -121.9417 -1.772 -67.3188 55.7515 171.4864 53.2386 176.3089 -67.9563 171.7688 -65.1609 50.574 -54.4692 66.7712 -176.485 -176.524 -55.2836 61.4601 65.7161 -173.0435 -56.2998 54.1036 175.712 -67.2067 -67.1691 54.4393 171.5206 175.7287 -62.6629 54.4184 -54.3481 65.7627 -176.4889 -176.3665 -56.2557 61.4927 66.9069 -172.9823 -55.2339 178.2069 -3.4564 -2.6343 175.7024 177.9312 -1.4337 -0.4545 -179.8194 -177.7421 1.4398 0.5912 179.7731 -178.7365 -0.1898 0.629 179.1757 -0.0866 179.4555 -179.2568 0.2854 179.2308 -0.4569 0.7059 -178.9819 -0.5756 179.112 179.8815 -0.4309 -169.069 -53.7175 70.3325 -45.4354 69.9161 -166.0339 -45.636 69.7206 -166.2093 -169.2349 -53.8782 70.1919 -168.9263 -53.565 70.5018 -45.3242 70.037 -165.8961 25.8179 -156.4286 -94.3693 83.3842 150.9398 -31.3068 25.9131 -156.3365 -94.2374 83.5129 151.0772 -31.1724 25.7368 -156.4842 -94.4226 83.3564 150.8694 -31.3516 -0.7138 178.6559 176.9383 -3.9788 -3.6578 175.4251 178.3965 -0.8219 -0.7105 -179.9289 -178.4475 0.8274 0.6306 179.9055 177.7674 0.0009 -3.0143 179.2192 0.1495 179.4223 -179.1155 0.1573 -177.0526 2.9931 0.7947 -179.1596 -0.879 179.0753 179.8467 -0.199 -0.7778 178.5485 177.6894 -3.2492 -2.9481 176.1133 178.3709 -0.801 -0.7149 -179.8868 -178.4724 0.8278 0.5843 179.8845 177.8289 0.0595 -2.9987 179.2319 0.1915 179.4889 -179.0988 0.1986 -177.1182 2.9288 0.7315 -179.2214 -0.8653 179.0876 179.8357 -0.2113 -0.848 178.393 178.2389 -2.8157 -2.4785 176.467 178.1835 -0.9012 -0.7903 -179.875 -178.3174 0.9572 0.6221 179.8968 177.9084 0.1122 -3.007 179.1969 0.2115 179.4947 -179.0532 0.23 -177.1355 2.9157 0.7381 -179.2107 -0.9082 179.0405 179.807 -0.2443 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 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 0.0237220 0.0173456 0.0173084 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= 1.06D-06 NBF= 1550 NBsUse= 1536 1.00D-06 EigRej= 7.90D-07 NBFU= 1536 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= 1329 1318 1318 1318 1329 MxSgAt= 146 MxSgA2= 146. 1 Closed 1 1 1 -2996.54463701988 -2996.54463701897 0.000000000917 -2996.54463702 2 2.967334338705e+03 -2.923955335360e+04 1.212570437356e+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. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00