Gaussian 16 GINC-C203-22 USCCQMOM Title Card Required ES64L-G16RevC.01 24-Feb-2024 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 516 516 C1[X(C77H60O31Zr6)] C1[X(C77H60O31Zr6)] RM06 Gen FOpt #pM06 integral=grid=ultrafine gen pseudo=read scf=(intrep,xqc,maxconventionalcycles=150) opt 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1968.1493000000044 AuxInfo=1/1/N:48,43,45,47,37,42,44,8,10;41,49,50,39,40,38,46,9,12;57,55,61,59,60,64,63,15,17;58,51,54,62,52,53,56,16,18;111,112,113,72,89,73,74,19,30;68,69,71,70,67,65,66,20,21;78,79,82,80,77,88,76,23,27;75,85,87,83,81,84,86,26,28;108,103,104,94,91,102,92,29,34;95,90,99,107,106,109,100,31,32;110,93,98,101,97,96,105,35,36;173;7;14;22;25;11;13;24;33;3;1;2;4;5;6/E:11*(2,3)(4,5)(8,9);;;;;;;;;;;;;;;/CRV:11*1.3,2.3,3.3,4.3,5.3,6.3,7.3,8-1,9-1;;4*1.1;;;;;;;;;;/rA:174ZrZrZrZrZrZrO4OOOO3OO3O4OOOOOOOO4OO3O4OOOOOOOO3OOOC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHOH/rB:;;;;;s1s3s4;s1;s4;s3;s1s3s5;s1;s1s4s6;s1s5s6;s1;s1;s6;s5;s4;s3;s2;s2s4s6;s3;s2s3s4;s2s3s5;s4;s4;s2;s5;s6;s6;s2;s2s5s6;s2;s5;s6;;;s38;s38;;s37;;s8s10s42;s37;s9s12s38;s42s43;s43s45;s39s41;s40s41;;;s52;s52;;s16s18s53;s55;s51s54;s55;;s57s60;s51s53;s15s17;s59s60s63;;s20s21s65;s65;;s68;s65s69;s67s68;;s72;s19s30s73;;s23s27;;;s78;s79;;s77s78;;s81s83;s75s83;s26s28s84;s75s81;s76s77s80;s73;;;s29s34;;;s90;;s96;s97;s95;s31s32;s93s96;s91s92s94;s94;s91;s35s36s96;s99;s90;s103s104;s100s106s107;s93s98;;s72s111;s89s111;s40;s47;s50;s43;s39;s7;s49;s45;s37;s51;s61;s54;s55;s59;s52;s62;s60;s14;s67;s69;s70;s71;s83;s85;s72;s79;s82;s81;s77;s87;s80;s25;s22;s91;s89;s97;s94;s90;s107;s103;s106;s101;s93;s104;s99;s98;s112;s113;s57;s58;s41;s110;s111;s48;s95;s78;s75;s108;s68;s5;s173;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16.exe /opt/cesga/2020/software/Core/g16/c1/l1.exe "/mnt/lustre/scratch/nvme/SLURM/5953675/usccqmom.yhy7DyUZbm/Gau-2654505.inp" -scrdir="/mnt/lustre/scratch/nvme/SLURM/5953675/usccqmom.yhy7DyUZbm/" #p M06 integral=grid=ultrafine gen pseudo=read scf=(intrep,xqc,maxconv 1/18=20,19=15,26=4,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=7,11=2,16=1,17=8,25=1,30=1,71=1,74=-54,75=-5/1,2,3 4//1 5/5=2,8=3,13=1,17=20,38=5,85=150/2,8 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=4/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=7,6=1,11=2,16=1,17=8,25=1,30=1,71=1,74=-54,75=-5,82=7/1,2,3 4/5=5,16=3,69=1/1 5/5=2,8=3,13=1,17=20,38=5,85=150/2,8 7//1,2,3,16 1/18=20,19=15,26=4/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Title Card Required 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 90 90 90 90 90 90 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 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 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 1 1 1 1 1 1 1 1 16 1 89.9043000 89.9043000 89.9043000 89.9043000 89.9043000 89.9043000 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 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 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 1 1 0 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /opt/cesga/2020/software/Core/g16/c1/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 R157 R158 R159 R160 R161 R162 R163 R164 R165 R166 R167 R168 R169 R170 R171 R172 R173 R174 R175 R176 R177 R178 R179 R180 R181 R182 R183 R184 R185 R186 R187 R188 R189 R190 R191 R192 R193 R194 R195 R196 R197 R198 R199 R200 R201 R202 R203 R204 R205 R206 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 7 8 9 10 12 14 15 16 17 18 19 20 21 22 23 25 26 27 28 29 30 31 32 34 35 36 37 37 37 38 38 38 39 39 40 40 41 41 41 42 42 43 43 43 45 45 47 48 49 50 51 51 51 52 52 52 53 53 54 54 55 55 55 57 57 58 59 59 60 60 60 61 62 63 65 65 65 67 67 68 68 68 69 69 70 71 72 72 72 73 73 75 75 75 76 77 77 77 78 78 78 79 79 80 80 81 81 81 82 83 83 83 84 85 87 89 89 90 90 90 91 91 91 92 93 93 93 94 94 94 95 95 96 96 96 97 97 98 98 99 99 100 101 103 103 104 104 106 106 107 107 108 110 111 111 111 112 113 173 7 8 11 12 13 14 15 16 21 22 24 25 28 32 33 34 7 10 11 20 23 24 25 7 9 13 19 22 24 26 27 11 14 18 25 29 33 35 173 13 14 17 22 30 31 33 36 119 44 46 44 46 131 63 56 63 56 74 66 66 146 76 145 86 76 86 92 74 100 100 92 105 105 42 45 122 39 40 46 49 118 50 114 49 50 164 44 47 47 48 117 48 121 115 167 120 116 58 62 123 53 54 128 56 62 58 125 57 59 126 61 162 163 64 127 61 64 130 124 129 64 66 67 70 71 132 69 71 172 70 133 134 135 73 112 138 74 89 85 87 170 88 82 88 142 79 82 169 80 139 88 144 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1.399 1.0932 1.0938 1.0927 1.4962 1.4947 1.3986 1.4004 1.3929 1.0934 1.3946 1.3962 1.0938 1.391 1.0937 1.0928 1.0938 1.3988 1.3906 1.0929 1.4921 1.3985 1.3945 1.3949 1.0941 1.4902 1.3908 1.3983 1.0932 1.3939 1.3944 1.0942 1.39 1.0936 1.3988 1.0928 1.3987 1.3913 1.0931 1.0936 1.399 1.391 1.093 1.4936 1.0937 1.0937 1.3912 1.0932 1.3947 1.3911 1.0937 1.3977 1.3922 1.0935 1.4936 1.3913 1.3949 1.0938 1.3995 1.3903 1.0929 1.3949 1.0941 1.399 1.3984 1.4929 1.391 1.0931 1.3944 1.0937 1.3913 1.0937 1.4934 1.0932 1.394 1.0937 1.3955 1.0939 1.3987 1.0931 1.3991 1.0931 1.0942 1.0941 1.3943 1.3947 1.0941 1.0937 1.0937 0.9618 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A283 A284 A285 A286 A287 A288 A289 A290 A291 A292 A293 A294 A295 A296 A297 A298 A299 A300 A301 A302 A303 A304 A305 A306 A307 A308 A309 A310 A311 A312 A313 A314 A315 A316 A317 A318 A319 A320 A321 A322 A323 A324 A325 A326 A327 A328 A329 A330 A331 A332 A333 A334 A335 A336 A337 A338 A339 A340 A341 A342 A343 A344 A345 A346 A347 A348 A349 A350 A351 A352 A353 A354 A355 A356 A357 A358 A359 A360 A361 A362 A363 A364 A365 A366 A367 A368 A369 A370 A371 A372 A373 A374 A375 A376 A377 A378 A379 A380 A381 A382 A383 A384 A385 A386 A387 A388 A389 A390 A391 A392 A393 A394 A395 A396 A397 A398 A399 A400 A401 A402 A403 A404 A405 A406 A407 A408 A409 A410 A411 A412 A413 A414 A415 A416 A417 A418 A419 A420 A421 A422 A423 A424 A425 A426 A427 A428 A429 A430 A431 A432 A433 A434 A435 A436 A437 A438 A439 A440 A441 A442 A443 A444 A445 A446 A447 A448 A449 A450 A451 7 7 7 7 7 7 7 8 8 8 8 8 8 11 11 11 11 11 12 12 12 12 13 13 13 14 14 15 21 21 21 21 21 21 21 22 22 22 22 22 22 24 24 24 24 24 25 25 25 25 28 28 28 32 32 33 7 7 7 7 7 7 10 10 10 10 10 11 11 11 11 20 20 20 23 23 24 7 7 7 7 7 7 7 9 9 9 9 9 9 13 13 13 13 13 19 19 19 19 22 22 22 24 24 26 11 11 11 11 11 11 11 14 14 14 14 14 14 18 18 18 18 18 25 25 25 25 29 29 29 33 33 35 13 13 13 13 13 13 13 14 14 14 14 14 14 17 17 17 17 17 22 22 22 22 30 30 30 31 31 33 1 1 1 3 3 4 1 4 3 1 1 3 1 1 1 4 1 1 1 5 5 6 1 1 6 5 4 3 2 2 2 2 4 4 6 3 2 2 3 2 2 2 3 3 5 4 4 2 5 6 6 2 2 2 5 2 5 6 42 42 45 39 39 40 38 38 49 38 38 50 49 49 50 37 37 44 47 47 48 8 8 10 37 37 48 9 9 12 42 42 43 43 43 45 39 39 41 40 40 41 58 58 62 53 53 54 52 52 56 52 52 58 57 57 59 16 16 18 55 55 61 51 51 54 55 55 64 61 61 64 57 57 60 51 51 53 15 15 17 59 59 60 66 66 67 20 20 21 65 65 71 69 69 71 68 68 70 65 65 69 67 67 68 73 73 112 72 72 74 19 19 30 85 85 87 23 23 27 82 82 88 79 79 82 78 78 80 79 79 88 84 84 87 77 77 78 84 84 85 81 81 83 75 75 83 26 26 28 75 75 81 76 76 77 73 73 113 95 95 107 102 102 104 29 29 34 101 101 110 102 102 103 90 90 99 97 97 101 96 96 98 97 97 110 95 95 106 31 31 32 93 93 96 91 91 92 94 94 108 91 91 108 35 35 36 99 99 109 90 90 109 103 103 104 100 100 106 93 93 98 112 112 113 72 72 111 89 89 111 5 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 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 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 8 9 10 11 11 11 12 13 13 13 14 14 14 14 14 14 15 16 17 18 19 20 21 22 22 22 22 22 22 23 24 24 24 25 25 25 25 25 25 26 27 28 29 30 31 32 33 33 33 34 35 36 37 37 37 38 38 38 39 39 39 40 40 40 41 41 41 42 42 42 43 43 43 44 44 44 45 45 45 46 46 46 47 47 47 48 48 48 49 49 49 50 50 50 51 51 51 52 52 52 53 53 53 54 54 54 55 55 55 56 56 56 57 57 57 58 58 58 59 59 59 60 60 60 61 61 61 62 62 62 63 63 63 64 64 64 65 65 65 66 66 66 67 67 67 68 68 68 69 69 69 70 70 70 71 71 71 72 72 72 73 73 73 74 74 74 75 75 75 76 76 76 77 77 77 78 78 78 79 79 79 80 80 80 81 81 81 82 82 82 83 83 83 84 84 84 85 85 85 86 86 86 87 87 87 88 88 88 89 89 89 90 90 90 91 91 91 92 92 92 93 93 93 94 94 94 95 95 95 96 96 96 97 97 97 98 98 98 99 99 99 100 100 100 101 101 101 102 102 102 103 103 103 104 104 104 105 105 105 106 106 106 107 107 107 108 108 108 109 109 109 110 110 110 111 111 111 112 112 112 113 113 113 173 8 11 12 13 14 15 16 11 12 13 14 15 16 12 13 14 15 16 13 14 15 16 14 15 16 15 16 16 22 24 25 28 32 33 34 24 25 28 32 33 34 25 28 32 33 34 28 32 33 34 32 33 34 33 34 34 10 11 20 23 24 25 11 20 23 24 25 20 23 24 25 23 24 25 24 25 25 9 13 19 22 24 26 27 13 19 22 24 26 27 19 22 24 26 27 22 24 26 27 24 26 27 26 27 27 14 18 25 29 33 35 173 18 25 29 33 35 173 25 29 33 35 173 29 33 35 173 33 35 173 35 173 173 14 17 22 30 31 33 36 17 22 30 31 33 36 22 30 31 33 36 30 31 33 36 31 33 36 33 36 36 3 4 119 4 119 119 44 46 44 3 5 5 46 4 6 6 5 6 131 6 131 131 63 56 63 56 74 66 66 4 6 146 6 146 146 76 3 4 4 3 5 145 5 145 145 86 76 86 92 74 100 100 5 6 6 92 105 105 45 122 122 40 46 46 49 118 118 50 114 114 50 164 164 44 47 47 48 117 117 10 42 42 48 121 121 12 38 38 43 115 115 45 167 167 41 120 120 41 116 116 62 123 123 54 128 128 56 62 62 58 125 125 59 126 126 18 53 53 61 162 162 54 163 163 64 127 127 64 130 130 60 124 124 53 129 129 17 64 64 60 63 63 67 70 70 21 65 65 71 132 132 71 172 172 70 133 133 69 134 134 68 135 135 112 138 138 74 89 89 30 73 73 87 170 170 27 88 88 88 142 142 82 169 169 80 139 139 88 144 144 87 141 141 78 140 140 85 136 136 83 86 86 83 137 137 28 84 84 81 143 143 77 80 80 113 148 148 107 151 151 104 147 147 34 102 102 110 156 156 103 150 150 99 168 168 101 105 105 98 149 149 110 159 159 106 158 158 32 109 109 96 155 155 92 94 94 108 153 153 108 157 157 36 96 96 109 154 154 109 152 152 104 171 171 106 107 107 98 165 165 113 166 166 111 160 160 111 161 161 174 70.75 70.6315 71.4226 69.6124 122.6185 137.7069 140.5488 80.0531 80.173 140.1227 138.7341 126.4591 74.836 141.1922 90.9031 70.7925 142.9835 85.1049 83.404 139.9162 74.3841 120.9368 70.2525 82.5295 143.4669 72.7157 74.1794 79.2504 136.9328 79.8437 70.4699 74.9242 127.285 140.3974 79.0376 68.9919 121.6003 71.8931 72.2128 69.8593 142.5001 70.0026 81.7522 140.5354 89.4575 142.6365 138.297 140.6899 70.0341 74.0115 79.7017 141.387 121.3079 83.8831 76.0455 87.5469 76.9861 72.2317 145.5938 72.9985 72.7166 127.5038 80.8763 114.5819 82.7682 149.3292 128.9901 139.4707 144.0573 94.2046 69.6666 76.4653 88.7985 72.084 83.9725 142.4624 75.4958 71.8905 69.5653 140.0183 121.7808 69.2446 137.6135 71.8152 83.0931 75.4583 140.3016 140.6356 125.6212 79.7363 84.3097 70.4043 89.1445 142.1587 140.9478 73.0307 142.1725 80.8815 123.9896 69.6865 72.0001 138.6863 81.8546 82.5586 74.3223 68.547 80.7854 67.296 141.6233 86.9867 139.801 97.3863 70.8319 119.8698 132.4817 68.7342 71.7906 146.0501 135.9256 132.849 139.4806 80.4234 76.587 74.5044 70.2217 143.0962 78.2374 76.644 73.5939 77.864 84.7275 143.6152 112.227 69.9152 82.9611 69.7898 82.6027 141.5302 89.745 142.1829 72.2801 122.7042 138.3933 140.4493 71.2153 72.8419 138.3424 73.8969 123.2352 143.0679 79.7737 71.8923 72.3721 69.6393 139.9327 79.39 141.0561 123.509 83.5164 74.8877 84.3955 101.7285 101.9742 115.7526 101.0187 117.5701 116.2841 136.0688 135.0108 131.0311 115.3792 116.5632 117.6624 134.1925 118.4648 116.4706 117.0328 103.5746 103.0875 115.7676 103.1282 114.6486 114.9773 134.6875 132.1508 134.0856 137.7476 134.339 128.8564 138.2641 103.8153 100.9727 115.9669 102.3449 115.5811 116.064 133.4413 116.7009 117.2721 116.8156 97.5506 100.3781 118.5381 105.3664 121.0708 111.1351 135.0784 134.151 134.8488 138.5193 134.4834 134.2969 134.1732 118.465 119.0566 116.0172 130.9249 134.9114 135.1331 120.6077 118.5659 120.8252 119.7167 120.23 120.0451 120.0691 118.7399 121.1907 120.1186 118.7093 121.1719 120.1283 119.924 119.9474 119.1841 119.0943 121.6894 120.4985 119.5981 119.903 124.6787 116.5597 118.7224 120.1866 119.7317 120.0812 125.0745 117.2109 117.6936 120.1804 118.9753 120.842 119.4289 120.1881 120.3828 120.0012 119.9695 120.0292 119.9643 119.9784 120.0573 119.6175 120.1988 120.1837 119.7565 118.8555 121.388 121.0128 120.0031 118.983 119.9282 120.0875 119.9843 120.1621 120.014 119.8237 125.2001 118.3557 116.4381 119.7334 120.1454 120.1211 120.5278 119.821 119.6512 120.283 121.052 118.6647 120.2316 121.0854 118.6825 120.2006 119.9952 119.8041 120.1668 121.132 118.7001 124.9303 117.3437 117.7089 119.388 120.1983 120.4055 121.3198 119.3356 119.3446 124.6876 118.3084 117.0023 120.1209 118.9118 120.9672 119.6975 120.2253 120.0772 120.0972 120.0796 119.8232 120.4238 118.6082 120.968 120.3159 119.7393 119.9448 120.1504 118.729 121.1203 119.9675 119.7064 120.3199 124.9695 116.8937 118.1202 120.0023 120.0121 119.9855 124.8476 117.0448 118.0906 119.9558 121.2713 118.7726 120.278 119.889 119.8328 119.8605 120.0907 120.0487 120.0938 121.1833 118.7226 120.1245 118.7221 121.153 119.9604 120.0108 120.0287 120.1767 118.7194 121.1037 119.6031 120.2949 120.0932 120.0271 120.0424 119.9304 125.1388 117.2005 117.6436 120.065 120.0206 119.9143 120.4027 119.7402 119.8499 120.0449 118.7248 121.2301 120.0477 120.0374 119.9149 119.9659 118.8494 121.1842 124.7275 117.2787 117.9757 120.0398 119.9422 120.018 120.2418 118.427 121.3288 119.9799 120.0199 120.0 119.6748 119.965 120.3546 120.1306 118.653 121.2163 120.0103 119.9394 120.0503 120.0741 120.0212 119.9047 125.0016 117.403 117.5779 120.0924 121.1819 118.7255 121.332 119.6887 118.9674 119.9432 119.9625 120.094 120.1316 119.907 119.9612 125.0036 117.3364 117.6418 120.1284 121.1475 118.7239 120.1626 121.1356 118.7015 120.0284 120.0609 119.9107 120.2777 120.1099 119.6059 120.0507 119.9587 119.9905 120.1076 119.9655 119.9268 119.9558 119.9787 120.0654 120.0338 119.9449 120.0213 119.2215 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate 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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 D433 D434 D435 D436 D437 D438 D439 D440 D441 D442 D443 D444 D445 D446 D447 D448 D449 D450 D451 D452 D453 D454 D455 D456 D457 D458 D459 D460 D461 D462 D463 D464 D465 D466 D467 D468 D469 D470 D471 D472 D473 D474 D475 D476 D477 D478 D479 D480 D481 D482 D483 D484 D485 D486 D487 D488 D489 D490 D491 D492 D493 D494 D495 D496 D497 D498 D499 D500 D501 D502 D503 D504 D505 D506 D507 D508 D509 D510 D511 D512 D513 D514 D515 D516 D517 D518 D519 D520 D521 D522 D523 D524 D525 D526 D527 D528 D529 D530 D531 D532 D533 D534 D535 D536 D537 D538 D539 D540 D541 D542 D543 D544 D545 D546 D547 D548 D549 D550 D551 D552 D553 D554 D555 D556 D557 D558 D559 D560 D561 D562 D563 D564 D565 D566 D567 D568 D569 D570 D571 D572 D573 D574 D575 D576 D577 D578 D579 D580 D581 D582 D583 D584 D585 D586 D587 D588 D589 D590 D591 D592 D593 D594 D595 D596 D597 D598 D599 D600 D601 D602 D603 D604 D605 D606 D607 D608 D609 D610 D611 D612 D613 D614 D615 D616 D617 D618 D619 D620 D621 D622 D623 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32 32 32 32 32 33 33 33 33 33 33 33 33 33 33 33 33 33 33 34 34 34 34 34 34 34 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 20 20 20 20 20 20 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 13 13 13 13 13 13 13 13 13 13 13 13 13 13 19 19 19 19 19 19 19 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 24 24 24 24 24 24 24 24 24 24 24 24 24 24 26 26 26 26 26 26 26 27 27 27 27 27 27 27 11 11 11 11 11 11 11 11 11 11 11 11 11 11 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 18 18 18 18 18 18 18 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 29 29 29 29 29 29 29 33 33 33 33 33 33 33 33 33 33 33 33 33 33 35 35 35 35 35 35 35 173 173 173 173 173 173 173 13 13 13 13 13 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 22 22 22 22 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41 120 41 116 41 116 39 120 39 120 40 116 40 116 8 10 8 10 43 115 43 115 42 115 42 115 45 167 45 167 43 167 43 167 54 163 54 163 53 129 53 129 56 62 56 62 58 125 58 125 16 18 16 18 51 129 51 129 51 163 51 163 61 162 61 162 64 127 64 127 60 124 60 124 60 63 60 63 57 124 57 124 59 63 59 63 59 60 59 60 20 21 20 21 71 132 71 132 69 134 69 134 68 135 68 135 70 133 70 133 67 135 67 135 65 134 65 134 74 89 74 89 111 160 111 160 19 30 19 30 113 148 113 148 83 137 83 137 81 143 81 143 77 80 77 80 78 140 78 140 76 80 76 80 80 139 80 139 77 140 77 140 88 144 88 144 76 77 76 77 83 86 83 86 75 143 75 143 81 86 81 86 75 137 75 137 26 28 26 28 111 161 111 161 99 168 99 168 109 152 109 152 92 94 92 94 108 157 108 157 91 94 91 94 96 155 96 155 98 165 98 165 91 92 91 92 108 153 108 153 106 158 106 158 98 149 98 149 93 155 93 155 35 36 35 36 110 159 110 159 93 165 93 165 109 154 109 154 106 107 106 107 104 171 104 171 103 171 103 171 100 107 100 107 100 106 100 106 72 160 72 160 89 161 89 161 84.6981 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43.4525 -169.1367 85.0833 -41.2327 100.9512 -4.8288 -131.1448 157.3881 51.6082 -74.7078 -68.52 145.6464 141.7313 -4.1023 4.2491 -141.5844 -144.5726 69.5938 152.832 6.9984 73.1527 -72.6809 -12.0901 -157.9237 82.5705 -170.2103 -49.0886 -51.2082 56.0111 177.1327 -3.4146 103.8047 -135.0737 46.9515 154.1707 -84.7076 -151.8823 -44.663 76.4587 -100.3927 6.8266 127.9482 166.3556 -86.4252 34.6965 -111.9249 40.2151 -30.2901 -77.2827 114.7144 48.3584 -178.7003 -178.7656 -42.7083 -53.5886 75.7691 -116.839 28.0653 117.0496 -3.6927 147.0025 -144.7155 5.9797 -76.9498 73.7454 -8.076 142.6192 -152.9604 -2.2652 142.0191 -67.2857 65.7973 -143.5075 124.0703 -70.0138 67.413 51.4509 -171.2635 -102.7778 -18.474 -83.2243 171.925 44.2924 1.2188 -103.6319 128.7354 162.0587 57.208 -70.4247 -169.5297 85.6197 -42.013 101.6084 -3.2423 -130.8749 46.318 -58.5327 173.8347 33.191 -40.5423 178.8272 107.3373 42.2643 -94.8949 -1.4533 142.3983 77.7087 -138.4397 -164.8712 -21.0196 13.731 157.5825 -71.7968 72.0548 -144.6357 -0.7841 -78.1125 178.6082 73.1386 -106.0175 -21.9283 53.2096 -42.4814 -121.0281 -57.6006 121.4651 31.2514 87.8318 -142.0853 3.906 -151.3452 -5.3539 -72.1656 73.8257 67.3649 -146.6438 143.881 -70.1278 -4.4316 141.5597 57.6695 -45.3265 -172.3512 162.5041 59.5082 -67.5165 103.6718 0.6758 -126.3489 -89.9917 167.0123 39.9876 -55.5244 -158.5204 74.4549 3.4982 -99.4978 133.4775 84.8673 -170.4778 -42.0106 -4.3779 100.277 -131.2558 48.1054 152.7602 -78.7725 -53.6953 50.9596 179.4268 -101.5103 3.1446 131.6118 -151.7193 -47.0644 81.4028 169.7098 -85.6353 42.8319 -40.7503 29.9563 115.8413 77.5164 -50.1761 -176.943 -114.8198 5.3472 -142.417 -67.8548 144.381 -143.8441 68.3917 142.1694 -5.5948 73.4677 -74.2965 148.9782 1.214 -3.5886 -151.3528 -77.5857 -113.5776 -29.2595 41.9579 51.9515 115.8028 179.8071 -51.1051 53.637 -179.2474 -151.1169 -46.3747 80.7409 -100.0691 4.6731 131.7886 170.0115 -85.2463 41.8692 -3.4721 101.27 -131.6144 84.3169 -170.941 -43.8254 47.452 152.1941 -80.6903 141.9442 -3.8501 151.5263 5.732 73.5214 -72.2729 -6.0552 -151.8495 4.1393 -141.655 -69.6075 144.5982 -144.7389 69.4668 76.8544 179.4343 -47.6305 -115.896 -40.8863 30.3156 114.823 42.0365 116.1929 50.8492 -179.2646 -75.7369 -28.496 -112.0797 6.094 -137.333 -66.8297 149.7434 144.2069 0.7799 138.3616 -5.0654 74.4062 -69.0207 -3.7723 -147.1993 -141.8784 74.6947 -5.1536 102.0347 -132.2275 82.2356 -170.5762 -44.8383 -50.4115 56.7767 -177.4854 -146.6218 -39.4336 86.3043 -100.4513 6.7369 132.4748 168.1605 -84.6513 41.0866 65.1913 172.3795 -61.8826 30.2027 -40.1716 73.3425 -170.924 -44.0271 -114.0988 130.1404 -101.5461 -0.6593 132.1896 -55.7715 45.1153 177.9642 -148.5711 -47.6843 85.1646 74.692 175.5787 -51.5724 -6.3885 94.4983 -132.6528 43.708 144.5948 -82.5563 155.1883 -103.925 28.9239 -22.8225 88.127 -167.8576 -28.4174 44.4201 132.784 -109.3982 75.4169 -76.1521 143.546 -8.023 147.4539 -4.1152 8.4837 -143.0853 -69.6031 138.8279 -143.9616 64.4694 -22.9539 -174.5229 53.8888 44.2239 117.0643 -71.5641 -102.7048 -25.1003 -171.7848 72.589 10.4819 -6.0544 137.4673 -146.0863 167.5553 -79.6622 -4.4341 143.9757 69.223 -142.3672 -142.8202 5.5896 143.8093 -67.7809 -153.6972 -5.2873 -74.4817 73.9282 6.0203 154.4301 3.7572 -103.8 130.6741 -85.0885 167.3543 41.8284 51.5424 -56.0148 178.4593 -48.0584 -155.6156 78.8585 153.8014 46.2442 -79.2817 100.6125 -6.9446 -132.4706 -169.5562 82.8866 -42.6393 -29.1841 41.923 -77.6943 -113.4807 -178.7541 50.9278 117.0273 102.305 -4.6386 -131.4436 54.4691 -52.4745 -179.2795 154.6969 47.7533 -79.0517 -169.0683 83.9881 -42.8169 -84.7703 168.2861 41.4811 4.7452 -102.1984 130.9966 -48.1656 -155.1092 78.0858 29.7513 77.8605 114.5222 -41.3399 -116.0977 -50.5895 -179.8566 53.1813 -77.8946 179.2789 42.4732 116.6739 -28.1785 -114.1002 -74.52 76.8725 -143.3448 8.0478 -152.4055 -1.0129 -6.0409 145.3517 3.3376 154.7302 67.5245 -141.0829 142.8991 -65.7083 -49.8803 -39.6063 -114.062 81.1511 -176.838 117.2123 32.4349 4.1858 -178.1262 1.5526 179.8419 6.0569 -171.5849 -3.3035 178.4147 0.2847 178.7404 -1.1008 179.8301 -1.9327 179.6168 0.7056 179.7907 -2.1595 179.3545 -7.8945 172.5942 -2.6537 176.8634 1.5561 -179.9776 0.987 179.4434 -2.2884 179.2599 -0.9506 -179.4008 -11.849 166.5699 1.6556 -179.8755 -2.1534 179.411 2.6131 -178.9537 -6.7109 174.8802 -5.0444 176.5484 1.1885 179.5913 -177.5738 0.3974 2.0377 -179.9912 0.1323 179.8706 -179.4703 0.2681 -0.375 179.7975 178.582 -1.2455 0.3791 -179.8085 -178.5798 1.2325 -178.9642 -0.5453 -0.0106 178.4082 0.0281 -179.8839 179.8512 -0.0607 -0.0361 179.8711 -179.8437 0.0635 0.3172 -179.7709 -179.8594 0.0525 -0.3131 179.7798 179.8635 -0.0436 3.0974 -179.0705 -174.8191 3.013 -0.5121 -179.9645 177.4062 -2.0462 0.1011 179.5431 -179.6761 -0.2341 0.4302 -179.7744 -179.7933 0.0021 -0.5455 179.6596 179.7171 -0.0779 0.0625 -179.9753 -179.8696 0.0925 -0.1009 -179.7056 179.8313 0.2266 179.7223 0.1174 -0.2387 -179.8436 -0.1557 179.9252 179.8043 -0.1148 -3.202 177.6475 176.4069 -2.7436 0.0113 179.6255 -179.6016 0.0126 0.0662 -179.8959 179.9855 0.0233 -0.2961 179.822 179.8385 -0.0434 0.0227 -179.7751 179.8884 0.0906 0.2544 -179.8591 -179.8637 0.0228 0.291 -178.6679 -179.9065 1.1347 0.061 -179.8258 179.8145 -0.0722 -0.3326 178.6241 179.908 -1.1353 0.8049 -178.1433 179.3748 0.4266 -1.7712 178.6799 178.2432 -1.3057 179.9389 -0.1247 -0.0754 179.8609 -179.9038 0.0474 0.1103 -179.9385 0.0028 179.9941 -179.9322 0.0591 -0.0014 179.9986 -179.9957 0.0043 0.036 -179.9553 -179.9697 0.039 -0.0722 179.9778 179.9278 -0.0222 178.8033 -0.2909 -1.0082 179.8975 0.0173 -179.8849 179.8242 -0.0779 -0.3045 -178.8978 178.7841 0.1909 0.2899 -179.8918 -178.8011 1.0172 -0.2947 179.8311 179.8317 -0.0425 0.2774 -179.8469 -179.849 0.0267 -178.6616 0.3597 -0.0882 178.933 0.0324 -179.8671 179.8228 -0.0767 178.6725 -0.3476 -1.1231 179.8568 -0.2891 179.7905 179.8634 -0.0571 0.2871 -179.8133 -179.8652 0.0343 -0.0282 -179.8576 179.8923 0.0629 -178.6808 0.3459 1.1528 -179.8206 -0.3336 178.5854 179.9234 -1.1576 0.0378 -179.838 179.7745 -0.1014 0.3164 -178.6049 -179.8843 1.1944 -0.0031 179.8712 -179.7975 0.0768 -178.2918 0.2832 0.6219 179.197 -0.0157 179.8932 -179.8293 0.0796 0.271 -179.8888 -179.7924 0.0478 0.0278 179.8585 -179.9089 -0.0782 178.6807 -0.0479 -1.0851 -179.8136 -0.1162 -179.9578 179.644 -0.1976 178.4659 -2.7965 -3.0054 175.7321 -0.0525 -179.8864 179.8816 0.0477 -0.2595 179.8979 179.8065 -0.0361 0.1135 -178.6452 179.5631 0.8043 -0.0147 179.7653 -179.448 0.332 -0.2685 179.7851 179.8914 -0.0551 -0.3268 179.7463 178.8146 -1.1123 0.3446 -179.8174 -178.7934 1.0446 -1.0517 -179.579 178.0838 -0.4435 0.0167 -179.9374 179.9417 -0.0124 0.2773 -179.8801 -179.7687 0.0739 -0.033 -179.8845 179.9135 0.062 178.6913 -0.3773 0.137 -178.9316 -0.1498 179.8737 -179.9295 0.094 0.2156 -179.8079 -179.9429 0.0336 -178.7434 0.3299 1.1117 -179.815 178.7475 -0.3274 -1.0873 179.8378 0.2587 -179.8392 -179.873 0.0291 -0.2596 179.8315 179.872 -0.0368 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate 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D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 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. One-electron integral symmetry used in STVInt Berny optimization. local minimum Step number 1 out of a maximum of 1044 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- first step. 0.00230 0.00802 0.00817 0.00837 0.00851 0.00852 0.00854 0.00860 0.00871 0.00871 0.00892 0.00896 0.00969 0.01020 0.01027 0.01078 0.01194 0.01201 0.01229 0.01253 0.01257 0.01264 0.01281 0.01375 0.01379 0.01385 0.01389 0.01395 0.01403 0.01404 0.01424 0.01425 0.01458 0.01468 0.01567 0.01608 0.01647 0.01741 0.01757 0.01781 0.01789 0.01797 0.01804 0.01813 0.01815 0.01816 0.01819 0.01823 0.01823 0.01825 0.01834 0.01838 0.01876 0.01904 0.01927 0.01967 0.01989 0.02127 0.02131 0.02135 0.02138 0.02139 0.02141 0.02142 0.02143 0.02144 0.02144 0.02145 0.02146 0.02147 0.02147 0.02148 0.02149 0.02149 0.02150 0.02151 0.02151 0.02151 0.02151 0.02152 0.02152 0.02153 0.02155 0.02156 0.02156 0.02158 0.02158 0.02159 0.02160 0.02160 0.02162 0.02162 0.02162 0.02162 0.02162 0.02163 0.02164 0.02164 0.02165 0.02166 0.02167 0.02167 0.02169 0.02171 0.02171 0.02172 0.02173 0.02174 0.02175 0.02175 0.02176 0.02177 0.02177 0.02178 0.02179 0.02181 0.02181 0.02183 0.02184 0.02184 0.02186 0.02186 0.02186 0.02187 0.02188 0.02188 0.02189 0.02191 0.02192 0.02192 0.02195 0.02195 0.02199 0.02216 0.02216 0.02219 0.02225 0.02230 0.02231 0.02233 0.02235 0.02236 0.02239 0.02241 0.02250 0.02676 0.03336 0.03562 0.03628 0.03735 0.03903 0.04051 0.04156 0.04189 0.04378 0.04491 0.04585 0.04695 0.04739 0.04893 0.05114 0.05197 0.05337 0.05375 0.05557 0.05606 0.05647 0.05656 0.05894 0.05924 0.06126 0.06227 0.06278 0.06411 0.06976 0.07215 0.07328 0.07530 0.07913 0.07954 0.08378 0.08452 0.08669 0.09267 0.09537 0.09646 0.09870 0.10115 0.10153 0.10280 0.10349 0.10495 0.10559 0.10640 0.10860 0.10932 0.11089 0.11190 0.11601 0.12005 0.12040 0.12063 0.12239 0.12467 0.12576 0.12664 0.12736 0.13026 0.13180 0.13525 0.13595 0.13719 0.14063 0.14620 0.14696 0.14773 0.14882 0.14940 0.15088 0.15489 0.15545 0.15935 0.15999 0.15999 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16266 0.16405 0.16664 0.16835 0.17880 0.21408 0.21478 0.21542 0.21583 0.21703 0.21754 0.21816 0.21821 0.21904 0.21928 0.22075 0.22076 0.22076 0.22077 0.22080 0.22082 0.22083 0.22084 0.22086 0.22086 0.22095 0.22336 0.22570 0.22575 0.22598 0.22602 0.22617 0.22662 0.22669 0.22854 0.23046 0.23061 0.23217 0.23359 0.23544 0.23549 0.24973 0.24985 0.24988 0.24995 0.24995 0.24995 0.24996 0.24996 0.24996 0.24997 0.24997 0.28507 0.28686 0.28721 0.28810 0.28864 0.28907 0.29001 0.29076 0.31877 0.32256 0.32335 0.34312 0.34333 0.34334 0.34339 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1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 Linear search 1 2 0.00022457 0.00000004 0.00000003 0.00000000 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000033 0.000004 0.001539 0.000225 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.699108e-07 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 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 R157 R158 R159 R160 R161 R162 R163 R164 R165 R166 R167 R168 R169 R170 R171 R172 R173 R174 R175 R176 R177 R178 R179 R180 R181 R182 R183 R184 R185 R186 R187 R188 R189 R190 R191 R192 R193 R194 R195 R196 R197 R198 R199 R200 R201 R202 R203 R204 R205 R206 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 7 8 9 10 12 14 15 16 17 18 19 20 21 22 23 25 26 27 28 29 30 31 32 34 35 36 37 37 37 38 38 38 39 39 40 40 41 41 41 42 42 43 43 43 45 45 47 48 49 50 51 51 51 52 52 52 53 53 54 54 55 55 55 57 57 58 59 59 60 60 60 61 62 63 65 65 65 67 67 68 68 68 69 69 70 71 72 72 72 73 73 75 75 75 76 77 77 77 78 78 78 79 79 80 80 81 81 81 82 83 83 83 84 85 87 89 89 90 90 90 91 91 91 92 93 93 93 94 94 94 95 95 96 96 96 97 97 98 98 99 99 100 101 103 103 104 104 106 106 107 107 108 110 111 111 111 112 113 173 7 8 11 12 13 14 15 16 21 22 24 25 28 32 33 34 7 10 11 20 23 24 25 7 9 13 19 22 24 26 27 11 14 18 25 29 33 35 173 13 14 17 22 30 31 33 36 119 44 46 44 46 131 63 56 63 56 74 66 66 146 76 145 86 76 86 92 74 100 100 92 105 105 42 45 122 39 40 46 49 118 50 114 49 50 164 44 47 47 48 117 48 121 115 167 120 116 58 62 123 53 54 128 56 62 58 125 57 59 126 61 162 163 64 127 61 64 130 124 129 64 66 67 70 71 132 69 71 172 70 133 134 135 73 112 138 74 89 85 87 170 88 82 88 142 79 82 169 80 139 88 144 84 87 141 140 84 85 136 86 137 143 113 148 95 107 151 102 104 147 102 101 110 156 102 103 150 99 168 97 101 105 98 149 110 159 106 158 109 155 108 153 108 157 109 154 109 152 171 165 112 113 166 160 161 174 2.281 2.261 2.0731 2.2396 2.0791 2.2544 2.239 2.2175 2.2536 2.2947 2.1035 2.4005 2.2382 2.2307 2.0258 2.1845 2.218 2.2288 2.0562 2.223 2.2193 1.993 2.2343 2.2977 2.2237 2.0614 2.201 2.2639 2.0982 2.2305 2.2417 2.1425 2.3095 2.2517 2.2832 2.267 2.1615 2.2267 2.0042 2.0847 2.2664 2.2483 2.2748 2.2559 2.2296 2.0643 2.228 0.9633 1.2562 1.2633 1.275 1.2619 0.9632 1.2625 1.2653 1.2621 1.2557 1.2663 1.274 1.2551 0.9631 1.2642 0.966 1.2631 1.2608 1.2622 1.2472 1.2585 1.2618 1.263 1.2734 1.2599 1.2638 1.4012 1.3913 1.0927 1.3985 1.3989 1.4921 1.391 1.0931 1.3907 1.093 1.3946 1.3943 1.0941 1.4975 1.3989 1.394 1.397 1.0938 1.3951 1.0937 1.0936 1.0937 1.0937 1.0937 1.3924 1.3887 1.0935 1.397 1.3909 1.0933 1.4905 1.3993 1.3945 1.0937 1.3952 1.3919 1.0938 1.3954 1.0939 1.0944 1.3992 1.0931 1.3921 1.399 1.0932 1.0938 1.0927 1.4962 1.4947 1.3986 1.4004 1.3929 1.0934 1.3946 1.3962 1.0938 1.391 1.0937 1.0928 1.0938 1.3988 1.3906 1.0929 1.4921 1.3985 1.3945 1.3949 1.0941 1.4902 1.3908 1.3983 1.0932 1.3939 1.3944 1.0942 1.39 1.0936 1.3988 1.0928 1.3987 1.3913 1.0931 1.0936 1.399 1.391 1.093 1.4936 1.0937 1.0937 1.3912 1.0932 1.3947 1.3911 1.0937 1.3977 1.3922 1.0935 1.4936 1.3913 1.3949 1.0938 1.3995 1.3903 1.0929 1.3949 1.0941 1.399 1.3984 1.4929 1.391 1.0931 1.3944 1.0937 1.3913 1.0937 1.4934 1.0932 1.394 1.0937 1.3955 1.0939 1.3987 1.0931 1.3991 1.0931 1.0942 1.0941 1.3943 1.3947 1.0941 1.0937 1.0937 0.9618 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A283 A284 A285 A286 A287 A288 A289 A290 A291 A292 A293 A294 A295 A296 A297 A298 A299 A300 A301 A302 A303 A304 A305 A306 A307 A308 A309 A310 A311 A312 A313 A314 A315 A316 A317 A318 A319 A320 A321 A322 A323 A324 A325 A326 A327 A328 A329 A330 A331 A332 A333 A334 A335 A336 A337 A338 A339 A340 A341 A342 A343 A344 A345 A346 A347 A348 A349 A350 A351 A352 A353 A354 A355 A356 A357 A358 A359 A360 A361 A362 A363 A364 A365 A366 A367 A368 A369 A370 A371 A372 A373 A374 A375 A376 A377 A378 A379 A380 A381 A382 A383 A384 A385 A386 A387 A388 A389 A390 A391 A392 A393 A394 A395 A396 A397 A398 A399 A400 A401 A402 A403 A404 A405 A406 A407 A408 A409 A410 A411 A412 A413 A414 A415 A416 A417 A418 A419 A420 A421 A422 A423 A424 A425 A426 A427 A428 A429 A430 A431 A432 A433 A434 A435 A436 A437 A438 A439 A440 A441 A442 A443 A444 A445 A446 A447 A448 A449 A450 A451 7 7 7 7 7 7 7 8 8 8 8 8 8 11 11 11 11 11 12 12 12 12 13 13 13 14 14 15 21 21 21 21 21 21 21 22 22 22 22 22 22 24 24 24 24 24 25 25 25 25 28 28 28 32 32 33 7 7 7 7 7 7 10 10 10 10 10 11 11 11 11 20 20 20 23 23 24 7 7 7 7 7 7 7 9 9 9 9 9 9 13 13 13 13 13 19 19 19 19 22 22 22 24 24 26 11 11 11 11 11 11 11 14 14 14 14 14 14 18 18 18 18 18 25 25 25 25 29 29 29 33 33 35 13 13 13 13 13 13 13 14 14 14 14 14 14 17 17 17 17 17 22 22 22 22 30 30 30 31 31 33 1 1 1 3 3 4 1 4 3 1 1 3 1 1 1 4 1 1 1 5 5 6 1 1 6 5 4 3 2 2 2 2 4 4 6 3 2 2 3 2 2 2 3 3 5 4 4 2 5 6 6 2 2 2 5 2 5 6 42 42 45 39 39 40 38 38 49 38 38 50 49 49 50 37 37 44 47 47 48 8 8 10 37 37 48 9 9 12 42 42 43 43 43 45 39 39 41 40 40 41 58 58 62 53 53 54 52 52 56 52 52 58 57 57 59 16 16 18 55 55 61 51 51 54 55 55 64 61 61 64 57 57 60 51 51 53 15 15 17 59 59 60 66 66 67 20 20 21 65 65 71 69 69 71 68 68 70 65 65 69 67 67 68 73 73 112 72 72 74 19 19 30 85 85 87 23 23 27 82 82 88 79 79 82 78 78 80 79 79 88 84 84 87 77 77 78 84 84 85 81 81 83 75 75 83 26 26 28 75 75 81 76 76 77 73 73 113 95 95 107 102 102 104 29 29 34 101 101 110 102 102 103 90 90 99 97 97 101 96 96 98 97 97 110 95 95 106 31 31 32 93 93 96 91 91 92 94 94 108 91 91 108 35 35 36 99 99 109 90 90 109 103 103 104 100 100 106 93 93 98 112 112 113 72 72 111 89 89 111 5 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 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 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 8 9 10 11 11 11 12 13 13 13 14 14 14 14 14 14 15 16 17 18 19 20 21 22 22 22 22 22 22 23 24 24 24 25 25 25 25 25 25 26 27 28 29 30 31 32 33 33 33 34 35 36 37 37 37 38 38 38 39 39 39 40 40 40 41 41 41 42 42 42 43 43 43 44 44 44 45 45 45 46 46 46 47 47 47 48 48 48 49 49 49 50 50 50 51 51 51 52 52 52 53 53 53 54 54 54 55 55 55 56 56 56 57 57 57 58 58 58 59 59 59 60 60 60 61 61 61 62 62 62 63 63 63 64 64 64 65 65 65 66 66 66 67 67 67 68 68 68 69 69 69 70 70 70 71 71 71 72 72 72 73 73 73 74 74 74 75 75 75 76 76 76 77 77 77 78 78 78 79 79 79 80 80 80 81 81 81 82 82 82 83 83 83 84 84 84 85 85 85 86 86 86 87 87 87 88 88 88 89 89 89 90 90 90 91 91 91 92 92 92 93 93 93 94 94 94 95 95 95 96 96 96 97 97 97 98 98 98 99 99 99 100 100 100 101 101 101 102 102 102 103 103 103 104 104 104 105 105 105 106 106 106 107 107 107 108 108 108 109 109 109 110 110 110 111 111 111 112 112 112 113 113 113 173 8 11 12 13 14 15 16 11 12 13 14 15 16 12 13 14 15 16 13 14 15 16 14 15 16 15 16 16 22 24 25 28 32 33 34 24 25 28 32 33 34 25 28 32 33 34 28 32 33 34 32 33 34 33 34 34 10 11 20 23 24 25 11 20 23 24 25 20 23 24 25 23 24 25 24 25 25 9 13 19 22 24 26 27 13 19 22 24 26 27 19 22 24 26 27 22 24 26 27 24 26 27 26 27 27 14 18 25 29 33 35 173 18 25 29 33 35 173 25 29 33 35 173 29 33 35 173 33 35 173 35 173 173 14 17 22 30 31 33 36 17 22 30 31 33 36 22 30 31 33 36 30 31 33 36 31 33 36 33 36 36 3 4 119 4 119 119 44 46 44 3 5 5 46 4 6 6 5 6 131 6 131 131 63 56 63 56 74 66 66 4 6 146 6 146 146 76 3 4 4 3 5 145 5 145 145 86 76 86 92 74 100 100 5 6 6 92 105 105 45 122 122 40 46 46 49 118 118 50 114 114 50 164 164 44 47 47 48 117 117 10 42 42 48 121 121 12 38 38 43 115 115 45 167 167 41 120 120 41 116 116 62 123 123 54 128 128 56 62 62 58 125 125 59 126 126 18 53 53 61 162 162 54 163 163 64 127 127 64 130 130 60 124 124 53 129 129 17 64 64 60 63 63 67 70 70 21 65 65 71 132 132 71 172 172 70 133 133 69 134 134 68 135 135 112 138 138 74 89 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128.9901 139.4707 144.0573 94.2046 69.6666 76.4653 88.7985 72.084 83.9725 142.4624 75.4958 71.8905 69.5653 140.0183 121.7808 69.2446 137.6135 71.8152 83.0931 75.4583 140.3016 140.6356 125.6212 79.7363 84.3097 70.4043 89.1445 142.1587 140.9478 73.0307 142.1725 80.8815 123.9896 69.6865 72.0001 138.6863 81.8546 82.5586 74.3223 68.547 80.7854 67.296 141.6233 86.9867 139.801 97.3863 70.8319 119.8698 132.4817 68.7342 71.7906 146.0501 135.9256 132.849 139.4806 80.4234 76.587 74.5044 70.2217 143.0962 78.2374 76.644 73.5939 77.864 84.7275 143.6152 112.227 69.9152 82.9611 69.7898 82.6027 141.5302 89.745 142.1829 72.2801 122.7042 138.3933 140.4493 71.2153 72.8419 138.3424 73.8969 123.2352 143.0679 79.7737 71.8923 72.3721 69.6393 139.9327 79.39 141.0561 123.509 83.5164 74.8877 84.3955 101.7285 101.9742 115.7526 101.0187 117.5701 116.2841 136.0688 135.0108 131.0311 115.3792 116.5632 117.6624 134.1925 118.4648 116.4706 117.0328 103.5746 103.0875 115.7676 103.1282 114.6486 114.9773 134.6875 132.1508 134.0856 137.7476 134.339 128.8564 138.2641 103.8153 100.9727 115.9669 102.3449 115.5811 116.064 133.4413 116.7009 117.2721 116.8156 97.5506 100.3781 118.5381 105.3664 121.0708 111.1351 135.0784 134.151 134.8488 138.5193 134.4834 134.2969 134.1732 118.465 119.0566 116.0172 130.9249 134.9114 135.1331 120.6077 118.5659 120.8252 119.7167 120.23 120.0451 120.0691 118.7399 121.1907 120.1186 118.7093 121.1719 120.1283 119.924 119.9474 119.1841 119.0943 121.6894 120.4985 119.5981 119.903 124.6787 116.5597 118.7224 120.1866 119.7317 120.0812 125.0745 117.2109 117.6936 120.1804 118.9753 120.842 119.4289 120.1881 120.3828 120.0012 119.9695 120.0292 119.9643 119.9784 120.0573 119.6175 120.1988 120.1837 119.7565 118.8555 121.388 121.0128 120.0031 118.983 119.9282 120.0875 119.9843 120.1621 120.014 119.8237 125.2001 118.3557 116.4381 119.7334 120.1454 120.1211 120.5278 119.821 119.6512 120.283 121.052 118.6647 120.2316 121.0854 118.6825 120.2006 119.9952 119.8041 120.1668 121.132 118.7001 124.9303 117.3437 117.7089 119.388 120.1983 120.4055 121.3198 119.3356 119.3446 124.6876 118.3084 117.0023 120.1209 118.9118 120.9672 119.6975 120.2253 120.0772 120.0972 120.0796 119.8232 120.4238 118.6082 120.968 120.3159 119.7393 119.9448 120.1504 118.729 121.1203 119.9675 119.7064 120.3199 124.9695 116.8937 118.1202 120.0023 120.0121 119.9855 124.8476 117.0448 118.0906 119.9558 121.2713 118.7726 120.278 119.889 119.8328 119.8605 120.0907 120.0487 120.0938 121.1833 118.7226 120.1245 118.7221 121.153 119.9604 120.0108 120.0287 120.1767 118.7194 121.1037 119.6031 120.2949 120.0932 120.0271 120.0424 119.9304 125.1388 117.2005 117.6436 120.065 120.0206 119.9143 120.4027 119.7402 119.8499 120.0449 118.7248 121.2301 120.0477 120.0374 119.9149 119.9659 118.8494 121.1842 124.7275 117.2787 117.9757 120.0398 119.9422 120.018 120.2418 118.427 121.3288 119.9799 120.0199 120.0 119.6748 119.965 120.3546 120.1306 118.653 121.2163 120.0103 119.9394 120.0503 120.0741 120.0212 119.9047 125.0016 117.403 117.5779 120.0924 121.1819 118.7255 121.332 119.6887 118.9674 119.9432 119.9625 120.094 120.1316 119.907 119.9612 125.0036 117.3364 117.6418 120.1284 121.1475 118.7239 120.1626 121.1356 118.7015 120.0284 120.0609 119.9107 120.2777 120.1099 119.6059 120.0507 119.9587 119.9905 120.1076 119.9655 119.9268 119.9558 119.9787 120.0654 120.0338 119.9449 120.0213 119.2215 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 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0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 D433 D434 D435 D436 D437 D438 D439 D440 D441 D442 D443 D444 D445 D446 D447 D448 D449 D450 D451 D452 D453 D454 D455 D456 D457 D458 D459 D460 D461 D462 D463 D464 D465 D466 D467 D468 D469 D470 D471 D472 D473 D474 D475 D476 D477 D478 D479 D480 D481 D482 D483 D484 D485 D486 D487 D488 D489 D490 D491 D492 D493 D494 D495 D496 D497 D498 D499 D500 D501 D502 D503 D504 D505 D506 D507 D508 D509 D510 D511 D512 D513 D514 D515 D516 D517 D518 D519 D520 D521 D522 D523 D524 D525 D526 D527 D528 D529 D530 D531 D532 D533 D534 D535 D536 D537 D538 D539 D540 D541 D542 D543 D544 D545 D546 D547 D548 D549 D550 D551 D552 D553 D554 D555 D556 D557 D558 D559 D560 D561 D562 D563 D564 D565 D566 D567 D568 D569 D570 D571 D572 D573 D574 D575 D576 D577 D578 D579 D580 D581 D582 D583 D584 D585 D586 D587 D588 D589 D590 D591 D592 D593 D594 D595 D596 D597 D598 D599 D600 D601 D602 D603 D604 D605 D606 D607 D608 D609 D610 D611 D612 D613 D614 D615 D616 D617 D618 D619 D620 D621 D622 D623 D624 D625 D626 D627 D628 D629 D630 D631 D632 D633 D634 D635 D636 D637 D638 D639 D640 D641 D642 D643 D644 D645 D646 D647 D648 D649 D650 D651 D652 D653 D654 D655 D656 D657 D658 D659 D660 D661 D662 D663 D664 D665 D666 D667 D668 D669 D670 D671 D672 D673 D674 D675 D676 D677 D678 D679 D680 D681 D682 D683 D684 D685 D686 D687 D688 D689 D690 D691 D692 D693 D694 D695 D696 D697 D698 D699 D700 D701 D702 D703 D704 D705 D706 D707 D708 D709 D710 D711 D712 D713 D714 D715 D716 D717 D718 D719 D720 D721 D722 D723 D724 D725 D726 D727 D728 D729 D730 D731 D732 D733 D734 D735 D736 D737 D738 D739 D740 D741 D742 D743 D744 D745 D746 D747 D748 D749 D750 D751 D752 D753 D754 D755 D756 D757 D758 D759 D760 D761 D762 D763 D764 D765 D766 D767 D768 D769 D770 D771 D772 D773 D774 D775 D776 D777 D778 D779 D780 D781 D782 D783 D784 D785 D786 D787 D788 D789 D790 D791 D792 D793 D794 D795 D796 D797 D798 D799 D800 D801 D802 D803 D804 D805 D806 D807 D808 D809 D810 D811 D812 D813 D814 D815 D816 D817 D818 D819 D820 D821 D822 D823 D824 D825 D826 D827 D828 D829 D830 D831 D832 D833 D834 D835 D836 D837 D838 D839 D840 D841 D842 D843 D844 D845 D846 D847 D848 D849 D850 D851 D852 D853 D854 D855 D856 D857 D858 D859 D860 D861 D862 D863 D864 D865 D866 D867 D868 D869 D870 D871 D872 D873 D874 D875 D876 D877 D878 D879 D880 D881 D882 D883 D884 D885 D886 D887 D888 D889 D890 D891 D892 D893 D894 D895 D896 D897 D898 D899 D900 D901 D902 D903 D904 D905 D906 D907 D908 D909 D910 D911 D912 D913 D914 D915 D916 D917 D918 D919 8 8 8 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 7 11 12 13 14 15 16 7 7 8 8 12 12 13 13 14 14 15 15 16 16 7 8 11 13 14 15 16 7 7 8 8 11 11 12 12 14 14 15 15 16 16 7 7 7 8 8 8 11 11 11 12 12 12 13 13 13 15 15 15 16 16 16 7 8 11 12 13 14 16 7 8 11 12 13 14 15 22 24 25 28 32 33 34 21 21 21 24 24 24 25 25 25 28 28 28 32 32 32 33 33 33 34 34 34 21 21 22 22 25 25 28 28 32 32 33 33 34 34 21 21 21 22 22 22 24 24 24 28 28 28 32 32 32 33 33 33 34 34 34 21 22 24 25 32 33 34 21 22 24 25 28 33 34 21 21 22 22 24 24 25 25 28 28 32 32 34 34 21 22 24 25 28 32 33 10 10 10 11 11 11 20 20 20 23 23 23 24 24 24 25 25 25 7 11 20 23 24 25 7 7 10 10 20 20 23 23 24 24 25 25 7 10 11 23 24 25 7 10 11 20 24 25 7 7 10 10 11 11 20 20 23 23 25 25 7 7 7 10 10 10 11 11 11 20 20 20 23 23 23 24 24 24 9 9 9 13 13 13 19 19 19 22 22 22 24 24 24 26 26 26 27 27 27 7 13 19 22 24 26 27 7 7 9 9 19 19 22 22 24 24 26 26 27 27 7 9 13 22 24 26 27 7 7 7 9 9 9 13 13 13 19 19 19 24 24 24 26 26 26 27 27 27 7 7 9 9 13 13 19 19 22 22 26 26 27 27 7 9 13 19 22 24 27 7 9 13 19 22 24 26 14 14 18 18 25 25 29 29 33 33 35 35 173 173 11 11 11 18 18 18 25 25 25 29 29 29 33 33 33 35 35 35 173 173 173 11 14 25 29 33 35 173 11 11 11 14 14 14 18 18 18 29 29 29 33 33 33 35 35 35 173 173 173 11 14 18 25 33 35 173 11 11 14 14 18 18 25 25 29 29 35 35 173 173 11 14 18 25 29 33 173 11 14 18 25 29 33 35 14 14 17 17 22 22 30 30 31 31 33 33 36 36 13 13 13 17 17 17 22 22 22 30 30 30 31 31 31 33 33 33 36 36 36 13 14 22 30 31 33 36 13 13 13 14 14 14 17 17 17 30 30 30 31 31 31 33 33 33 36 36 36 13 14 17 22 31 33 36 13 14 17 22 30 33 36 13 13 14 14 17 17 22 22 30 30 31 31 36 36 13 14 17 22 30 31 33 1 1 4 4 3 3 1 1 1 1 1 1 6 6 5 5 4 4 3 3 2 2 3 3 4 4 4 4 2 2 5 5 6 6 6 6 2 2 2 2 5 5 6 6 45 45 122 122 42 42 122 122 40 40 46 46 39 39 46 46 39 39 40 40 38 38 118 118 38 38 114 114 50 50 164 164 49 49 164 164 37 37 47 47 37 37 44 44 48 48 117 117 47 47 117 117 37 37 121 121 62 62 123 123 58 58 123 123 54 54 128 128 53 53 128 128 52 52 62 62 52 52 56 56 52 52 125 125 59 59 126 126 57 57 126 126 55 55 162 162 55 55 127 127 64 64 130 130 61 61 130 130 15 15 17 17 67 67 70 70 66 66 70 70 66 66 67 67 65 65 132 132 71 71 172 172 69 69 172 172 68 68 133 133 112 112 138 138 73 73 138 138 72 72 89 89 72 72 74 74 87 87 170 170 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3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 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 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 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 6 6 8 8 9 9 10 10 12 12 15 15 16 16 17 17 18 18 19 19 20 20 21 21 23 23 26 26 27 27 28 28 29 29 30 30 31 31 32 32 34 34 35 35 36 36 37 37 37 37 37 37 37 37 38 38 38 38 38 38 38 38 38 38 38 38 39 39 39 39 40 40 40 40 41 41 41 41 41 41 41 41 42 42 42 42 42 42 42 42 43 43 43 43 43 43 43 43 45 45 45 45 51 51 51 51 51 51 51 51 52 52 52 52 52 52 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16 21 21 21 21 21 21 21 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 24 24 24 24 24 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 28 28 28 28 28 28 28 32 32 32 32 32 32 32 33 33 33 33 33 33 33 33 33 33 33 33 33 33 34 34 34 34 34 34 34 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 20 20 20 20 20 20 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 13 13 13 13 13 13 13 13 13 13 13 13 13 13 19 19 19 19 19 19 19 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 24 24 24 24 24 24 24 24 24 24 24 24 24 24 26 26 26 26 26 26 26 27 27 27 27 27 27 27 11 11 11 11 11 11 11 11 11 11 11 11 11 11 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 18 18 18 18 18 18 18 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 29 29 29 29 29 29 29 33 33 33 33 33 33 33 33 33 33 33 33 33 33 35 35 35 35 35 35 35 173 173 173 173 173 173 173 13 13 13 13 13 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 30 30 30 30 30 30 30 31 31 31 31 31 31 31 33 33 33 33 33 33 33 33 33 33 33 33 33 33 36 36 36 36 36 36 36 44 44 46 46 44 44 46 46 63 63 56 56 63 63 56 56 74 74 66 66 66 66 76 76 86 86 76 76 86 86 92 92 74 74 100 100 100 100 92 92 105 105 105 105 42 42 42 42 45 45 45 45 39 39 39 39 40 40 40 40 46 46 46 46 49 49 49 49 50 50 50 50 49 49 49 49 50 50 50 50 44 44 44 44 47 47 47 47 47 47 47 47 48 48 48 48 48 48 48 48 58 58 58 58 62 62 62 62 53 53 53 53 54 54 54 54 56 56 56 56 62 62 62 62 58 58 58 58 57 57 57 57 59 59 59 59 61 61 61 61 64 64 64 64 61 61 61 61 64 64 64 64 64 64 64 64 66 66 66 66 67 67 67 67 70 70 70 70 71 71 71 71 69 69 69 69 71 71 71 71 70 70 70 70 73 73 73 73 112 112 112 112 74 74 74 74 89 89 89 89 85 85 85 85 87 87 87 87 88 88 88 88 82 82 82 82 88 88 88 88 79 79 79 79 82 82 82 82 80 80 80 80 88 88 88 88 84 84 84 84 87 87 87 87 84 84 84 84 85 85 85 85 86 86 86 86 113 113 113 113 95 95 95 95 107 107 107 107 102 102 102 102 104 104 104 104 102 102 102 102 101 101 101 101 110 110 110 110 102 102 102 102 103 103 103 103 99 99 99 99 97 97 97 97 101 101 101 101 105 105 105 105 98 98 98 98 110 110 110 110 106 106 106 106 109 109 109 109 108 108 108 108 108 108 108 108 109 109 109 109 109 109 109 109 112 112 112 112 113 113 113 3 4 119 3 4 119 3 4 119 3 4 119 3 4 119 3 4 119 3 4 119 44 44 44 44 44 44 44 3 5 3 5 3 5 3 5 3 5 3 5 3 5 46 46 46 46 46 46 46 4 6 4 6 4 6 4 6 4 6 4 6 4 6 5 6 131 5 6 131 5 6 131 5 6 131 5 6 131 5 6 131 5 6 131 63 63 63 63 63 63 63 56 56 56 56 56 56 56 66 66 66 66 66 66 66 4 6 146 4 6 146 4 6 146 4 6 146 4 6 146 4 6 146 4 6 146 3 4 3 4 3 4 3 4 3 4 3 4 3 4 3 5 145 3 5 145 3 5 145 3 5 145 3 5 145 3 5 145 3 5 145 86 86 86 86 86 86 86 100 100 100 100 100 100 100 5 6 5 6 5 6 5 6 5 6 5 6 5 6 92 92 92 92 92 92 92 1 4 119 1 4 119 1 4 119 1 4 119 1 4 119 1 4 119 44 44 44 44 44 44 1 5 1 5 1 5 1 5 1 5 1 5 66 66 66 66 66 66 76 76 76 76 76 76 2 4 2 4 2 4 2 4 2 4 2 4 2 5 145 2 5 145 2 5 145 2 5 145 2 5 145 2 5 145 1 3 119 1 3 119 1 3 119 1 3 119 1 3 119 1 3 119 1 3 119 46 46 46 46 46 46 46 1 6 1 6 1 6 1 6 1 6 1 6 1 6 74 74 74 74 74 74 74 2 6 146 2 6 146 2 6 146 2 6 146 2 6 146 2 6 146 2 6 146 2 3 2 3 2 3 2 3 2 3 2 3 2 3 86 86 86 86 86 86 86 76 76 76 76 76 76 76 1 3 1 3 1 3 1 3 1 3 1 3 1 3 1 6 131 1 6 131 1 6 131 1 6 131 1 6 131 1 6 131 1 6 131 56 56 56 56 56 56 56 2 3 145 2 3 145 2 3 145 2 3 145 2 3 145 2 3 145 2 3 145 92 92 92 92 92 92 92 2 6 2 6 2 6 2 6 2 6 2 6 2 6 105 105 105 105 105 105 105 174 174 174 174 174 174 174 1 4 1 4 1 4 1 4 1 4 1 4 1 4 1 5 131 1 5 131 1 5 131 1 5 131 1 5 131 1 5 131 1 5 131 63 63 63 63 63 63 63 2 4 146 2 4 146 2 4 146 2 4 146 2 4 146 2 4 146 2 4 146 74 74 74 74 74 74 74 100 100 100 100 100 100 100 2 5 2 5 2 5 2 5 2 5 2 5 2 5 105 105 105 105 105 105 105 10 42 12 38 8 42 9 38 17 64 18 53 15 64 16 53 30 73 21 65 20 65 27 88 28 84 23 88 26 84 34 102 19 73 32 109 31 109 29 102 36 96 35 96 44 47 44 47 48 121 48 121 49 118 49 118 50 114 50 114 9 12 9 12 41 120 41 120 41 116 41 116 39 120 39 120 40 116 40 116 8 10 8 10 43 115 43 115 42 115 42 115 45 167 45 167 43 167 43 167 54 163 54 163 53 129 53 129 56 62 56 62 58 125 58 125 16 18 16 18 51 129 51 129 51 163 51 163 61 162 61 162 64 127 64 127 60 124 60 124 60 63 60 63 57 124 57 124 59 63 59 63 59 60 59 60 20 21 20 21 71 132 71 132 69 134 69 134 68 135 68 135 70 133 70 133 67 135 67 135 65 134 65 134 74 89 74 89 111 160 111 160 19 30 19 30 113 148 113 148 83 137 83 137 81 143 81 143 77 80 77 80 78 140 78 140 76 80 76 80 80 139 80 139 77 140 77 140 88 144 88 144 76 77 76 77 83 86 83 86 75 143 75 143 81 86 81 86 75 137 75 137 26 28 26 28 111 161 111 161 99 168 99 168 109 152 109 152 92 94 92 94 108 157 108 157 91 94 91 94 96 155 96 155 98 165 98 165 91 92 91 92 108 153 108 153 106 158 106 158 98 149 98 149 93 155 93 155 35 36 35 36 110 159 110 159 93 165 93 165 109 154 109 154 106 107 106 107 104 171 104 171 103 171 103 171 100 107 100 107 100 106 100 106 72 160 72 160 89 161 89 84.6981 -171.2041 -43.9826 -1.2202 102.8775 -129.9009 170.4917 -85.4105 41.8111 -99.7586 4.3392 131.5607 -51.5026 52.5952 179.8168 -151.8315 -47.7337 79.4879 54.0616 158.1594 -74.619 -47.8291 24.9893 -121.4502 -54.3523 70.0563 176.4321 112.5689 1.4265 -142.8331 -71.5267 144.2137 -11.1665 -155.4262 69.4112 -74.8485 138.1064 -6.1533 148.162 3.9023 -146.9587 68.7816 43.6442 116.5001 56.1767 -27.02 -75.2899 -111.0748 -177.914 -5.3849 142.5574 1.1854 149.1276 -74.3026 73.6397 67.2076 -144.8501 -143.494 4.4483 142.2481 -69.8097 -157.29 -9.3477 55.4642 -51.7546 -178.168 -42.3452 -149.564 84.0225 5.2497 -101.9691 131.6174 155.4279 48.2091 -78.2044 103.4594 -3.7594 -130.1728 -168.4298 84.3514 -42.062 -85.0252 167.756 41.3425 80.0078 -178.2783 -49.73 116.9897 31.7876 -39.7863 -116.3982 -81.4788 -111.3765 -30.3751 -179.7472 54.5171 41.0269 115.9254 80.5318 37.0017 -35.2349 121.1082 -174.855 -39.6062 -111.9976 -43.0908 -148.8707 84.8133 3.4793 -102.3007 131.3833 51.6927 -54.0873 179.5967 -84.4515 169.7685 43.4525 -169.1367 85.0833 -41.2327 100.9512 -4.8288 -131.1448 157.3881 51.6082 -74.7078 -68.52 145.6464 141.7313 -4.1023 4.2491 -141.5844 -144.5726 69.5938 152.832 6.9984 73.1527 -72.6809 -12.0901 -157.9237 82.5705 -170.2103 -49.0886 -51.2082 56.0111 177.1327 -3.4146 103.8047 -135.0737 46.9515 154.1707 -84.7076 -151.8823 -44.663 76.4587 -100.3927 6.8266 127.9482 166.3556 -86.4252 34.6965 -111.9249 40.2151 -30.2901 -77.2827 114.7144 48.3584 -178.7003 -178.7656 -42.7083 -53.5886 75.7691 -116.839 28.0653 117.0496 -3.6927 147.0025 -144.7155 5.9797 -76.9498 73.7454 -8.076 142.6192 -152.9604 -2.2652 142.0191 -67.2857 65.7973 -143.5075 124.0703 -70.0138 67.413 51.4509 -171.2635 -102.7778 -18.474 -83.2243 171.925 44.2924 1.2188 -103.6319 128.7354 162.0587 57.208 -70.4247 -169.5297 85.6197 -42.013 101.6084 -3.2423 -130.8749 46.318 -58.5327 173.8347 33.191 -40.5423 178.8272 107.3373 42.2643 -94.8949 -1.4533 142.3983 77.7087 -138.4397 -164.8712 -21.0196 13.731 157.5825 -71.7968 72.0548 -144.6357 -0.7841 -78.1125 178.6082 73.1386 -106.0175 -21.9283 53.2096 -42.4814 -121.0281 -57.6006 121.4651 31.2514 87.8318 -142.0853 3.906 -151.3452 -5.3539 -72.1656 73.8257 67.3649 -146.6438 143.881 -70.1278 -4.4316 141.5597 57.6695 -45.3265 -172.3512 162.5041 59.5082 -67.5165 103.6718 0.6758 -126.3489 -89.9917 167.0123 39.9876 -55.5244 -158.5204 74.4549 3.4982 -99.4978 133.4775 84.8673 -170.4778 -42.0106 -4.3779 100.277 -131.2558 48.1054 152.7602 -78.7725 -53.6953 50.9596 179.4268 -101.5103 3.1446 131.6118 -151.7193 -47.0644 81.4028 169.7098 -85.6353 42.8319 -40.7503 29.9563 115.8413 77.5164 -50.1761 -176.943 -114.8198 5.3472 -142.417 -67.8548 144.381 -143.8441 68.3917 142.1694 -5.5948 73.4677 -74.2965 148.9782 1.214 -3.5886 -151.3528 -77.5857 -113.5776 -29.2595 41.9579 51.9515 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0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 (5D, 7F) 1 2 3 4 5 6 Def2TZVP 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 36 173 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 174 Def2SVP 1 40 12 G and up 2 1.0000000 0.00000000 0.00000000 S - G 2 2 8.2000000 4.0897280 150.26759100 18.97621600 0.00000000 0.00000000 P - G 2 2 7.1100000 3.5967980 99.62212400 14.16873300 0.00000000 0.00000000 D - G 2 2 5.3500000 2.4918210 35.04512400 6.11125900 0.00000000 0.00000000 F - G 2 2 7.5400000 3.7700000 -21.09377600 -3.08069400 0.00000000 0.00000000 2 40 12 G and up 2 1.0000000 0.00000000 0.00000000 S - G 2 2 8.2000000 4.0897280 150.26759100 18.97621600 0.00000000 0.00000000 P - G 2 2 7.1100000 3.5967980 99.62212400 14.16873300 0.00000000 0.00000000 D - G 2 2 5.3500000 2.4918210 35.04512400 6.11125900 0.00000000 0.00000000 F - G 2 2 7.5400000 3.7700000 -21.09377600 -3.08069400 0.00000000 0.00000000 3 40 12 G and up 2 1.0000000 0.00000000 0.00000000 S - G 2 2 8.2000000 4.0897280 150.26759100 18.97621600 0.00000000 0.00000000 P - G 2 2 7.1100000 3.5967980 99.62212400 14.16873300 0.00000000 0.00000000 D - G 2 2 5.3500000 2.4918210 35.04512400 6.11125900 0.00000000 0.00000000 F - G 2 2 7.5400000 3.7700000 -21.09377600 -3.08069400 0.00000000 0.00000000 4 40 12 G and up 2 1.0000000 0.00000000 0.00000000 S - G 2 2 8.2000000 4.0897280 150.26759100 18.97621600 0.00000000 0.00000000 P - G 2 2 7.1100000 3.5967980 99.62212400 14.16873300 0.00000000 0.00000000 D - G 2 2 5.3500000 2.4918210 35.04512400 6.11125900 0.00000000 0.00000000 F - G 2 2 7.5400000 3.7700000 -21.09377600 -3.08069400 0.00000000 0.00000000 5 40 12 G and up 2 1.0000000 0.00000000 0.00000000 S - G 2 2 8.2000000 4.0897280 150.26759100 18.97621600 0.00000000 0.00000000 P - G 2 2 7.1100000 3.5967980 99.62212400 14.16873300 0.00000000 0.00000000 D - G 2 2 5.3500000 2.4918210 35.04512400 6.11125900 0.00000000 0.00000000 F - G 2 2 7.5400000 3.7700000 -21.09377600 -3.08069400 0.00000000 0.00000000 6 40 12 G and up 2 1.0000000 0.00000000 0.00000000 S - G 2 2 8.2000000 4.0897280 150.26759100 18.97621600 0.00000000 0.00000000 P - G 2 2 7.1100000 3.5967980 99.62212400 14.16873300 0.00000000 0.00000000 D - G 2 2 5.3500000 2.4918210 35.04512400 6.11125900 0.00000000 0.00000000 F - G 2 2 7.5400000 3.7700000 -21.09377600 -3.08069400 0.00000000 0.00000000 7 8 No pseudopotential on this center. 8 8 No pseudopotential on this center. 9 8 No pseudopotential on this center. 10 8 No pseudopotential on this center. 11 8 No pseudopotential on this center. 12 8 No pseudopotential on this center. 13 8 No pseudopotential on this center. 14 8 No pseudopotential on this center. 15 8 No pseudopotential on this center. 16 8 No pseudopotential on this center. 17 8 No pseudopotential on this center. 18 8 No pseudopotential on this center. 19 8 No pseudopotential on this center. 20 8 No pseudopotential on this center. 21 8 No pseudopotential on this center. 22 8 No pseudopotential on this center. 23 8 No pseudopotential on this center. 24 8 No pseudopotential on this center. 25 8 No pseudopotential on this center. 26 8 No pseudopotential on this center. 27 8 No pseudopotential on this center. 28 8 No pseudopotential on this center. 29 8 No pseudopotential on this center. 30 8 No pseudopotential on this center. 31 8 No pseudopotential on this center. 32 8 No pseudopotential on this center. 33 8 No pseudopotential on this center. 34 8 No pseudopotential on this center. 35 8 No pseudopotential on this center. 36 8 No pseudopotential on this center. 37 6 No pseudopotential on this center. 38 6 No pseudopotential on this center. 39 6 No pseudopotential on this center. 40 6 No pseudopotential on this center. 41 6 No pseudopotential on this center. 42 6 No pseudopotential on this center. 43 6 No pseudopotential on this center. 44 6 No pseudopotential on this center. 45 6 No pseudopotential on this center. 46 6 No pseudopotential on this center. 47 6 No pseudopotential on this center. 48 6 No pseudopotential on this center. 49 6 No pseudopotential on this center. 50 6 No pseudopotential on this center. 51 6 No pseudopotential on this center. 52 6 No pseudopotential on this center. 53 6 No pseudopotential on this center. 54 6 No pseudopotential on this center. 55 6 No pseudopotential on this center. 56 6 No pseudopotential on this center. 57 6 No pseudopotential on this center. 58 6 No pseudopotential on this center. 59 6 No pseudopotential on this center. 60 6 No pseudopotential on this center. 61 6 No pseudopotential on this center. 62 6 No pseudopotential on this center. 63 6 No pseudopotential on this center. 64 6 No pseudopotential on this center. 65 6 No pseudopotential on this center. 66 6 No pseudopotential on this center. 67 6 No pseudopotential on this center. 68 6 No pseudopotential on this center. 69 6 No pseudopotential on this center. 70 6 No pseudopotential on this center. 71 6 No pseudopotential on this center. 72 6 No pseudopotential on this center. 73 6 No pseudopotential on this center. 74 6 No pseudopotential on this center. 75 6 No pseudopotential on this center. 76 6 No pseudopotential on this center. 77 6 No pseudopotential on this center. 78 6 No pseudopotential on this center. 79 6 No pseudopotential on this center. 80 6 No pseudopotential on this center. 81 6 No pseudopotential on this center. 82 6 No pseudopotential on this center. 83 6 No pseudopotential on this center. 84 6 No pseudopotential on this center. 85 6 No pseudopotential on this center. 86 6 No pseudopotential on this center. 87 6 No pseudopotential on this center. 88 6 No pseudopotential on this center. 89 6 No pseudopotential on this center. 90 6 No pseudopotential on this center. 91 6 No pseudopotential on this center. 92 6 No pseudopotential on this center. 93 6 No pseudopotential on this center. 94 6 No pseudopotential on this center. 95 6 No pseudopotential on this center. 96 6 No pseudopotential on this center. 97 6 No pseudopotential on this center. 98 6 No pseudopotential on this center. 99 6 No pseudopotential on this center. 100 6 No pseudopotential on this center. 101 6 No pseudopotential on this center. 102 6 No pseudopotential on this center. 103 6 No pseudopotential on this center. 104 6 No pseudopotential on this center. 105 6 No pseudopotential on this center. 106 6 No pseudopotential on this center. 107 6 No pseudopotential on this center. 108 6 No pseudopotential on this center. 109 6 No pseudopotential on this center. 110 6 No pseudopotential on this center. 111 6 No pseudopotential on this center. 112 6 No pseudopotential on this center. 113 6 No pseudopotential on this center. 114 1 No pseudopotential on this center. 115 1 No pseudopotential on this center. 116 1 No pseudopotential on this center. 117 1 No pseudopotential on this center. 118 1 No pseudopotential on this center. 119 1 No pseudopotential on this center. 120 1 No pseudopotential on this center. 121 1 No pseudopotential on this center. 122 1 No pseudopotential on this center. 123 1 No pseudopotential on this center. 124 1 No pseudopotential on this center. 125 1 No pseudopotential on this center. 126 1 No pseudopotential on this center. 127 1 No pseudopotential on this center. 128 1 No pseudopotential on this center. 129 1 No pseudopotential on this center. 130 1 No pseudopotential on this center. 131 1 No pseudopotential on this center. 132 1 No pseudopotential on this center. 133 1 No pseudopotential on this center. 134 1 No pseudopotential on this center. 135 1 No pseudopotential on this center. 136 1 No pseudopotential on this center. 137 1 No pseudopotential on this center. 138 1 No pseudopotential on this center. 139 1 No pseudopotential on this center. 140 1 No pseudopotential on this center. 141 1 No pseudopotential on this center. 142 1 No pseudopotential on this center. 143 1 No pseudopotential on this center. 144 1 No pseudopotential on this center. 145 1 No pseudopotential on this center. 146 1 No pseudopotential on this center. 147 1 No pseudopotential on this center. 148 1 No pseudopotential on this center. 149 1 No pseudopotential on this center. 150 1 No pseudopotential on this center. 151 1 No pseudopotential on this center. 152 1 No pseudopotential on this center. 153 1 No pseudopotential on this center. 154 1 No pseudopotential on this center. 155 1 No pseudopotential on this center. 156 1 No pseudopotential on this center. 157 1 No pseudopotential on this center. 158 1 No pseudopotential on this center. 159 1 No pseudopotential on this center. 160 1 No pseudopotential on this center. 161 1 No pseudopotential on this center. 162 1 No pseudopotential on this center. 163 1 No pseudopotential on this center. 164 1 No pseudopotential on this center. 165 1 No pseudopotential on this center. 166 1 No pseudopotential on this center. 167 1 No pseudopotential on this center. 168 1 No pseudopotential on this center. 169 1 No pseudopotential on this center. 170 1 No pseudopotential on this center. 171 1 No pseudopotential on this center. 172 1 No pseudopotential on this center. 173 8 No pseudopotential on this center. 174 1 No pseudopotential on this center. 0.10000e-02 0.10000e-05 F IExCor= 4235 DFT=T Ex+Corr=M06 ExCW=0 ScaHFX= 0.270000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4 174 174 174 1.00e+00 60 T C77H60O31Zr6 C1 1 C1 1 C1 1 0.0129580 0.0129322 0.0114844 C77H60O31Zr6 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1968.1493000000044 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0.0129580 0.0129322 0.0114844 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 40. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1647 1632 1633 1647 1647 MxSgAt= 174 MxSgA2= 174. 1 Closed 1 1 1 -5576.34521767827 -5577.02935255471 -0.684134876443 -5578.20637755733 -1.177025002624 -5548.57169567385 29.634681883479 -5577.74893840483 -29.177242730977 -5579.51296200516 -1.764023600328 -5579.69160474799 -0.178642742831 -5579.70930569503 -0.017700947043 -5579.71397130055 -0.004665605520 -5579.71456277990 -0.000591479344 -5579.71468220025 -0.000119420351 -5579.71470386052 -0.000021660271 -5579.71470664587 -0.000002785353 -5579.71470695768 -0.000000311811 -5579.71470698577 -0.000000028085 -5579.71470698854 -0.000000002772 -5579.71470698919 -0.000000000648 -5579.71470699 17 5.337823586160e+03 -7.138870398939e+04 3.124879498870e+04 Using DIIS extrapolation, IDIIS= 1040. NGot= 4026531840 LenX= 4016789642 LenY= 4011965030 Requested convergence on RMS density matrix=1.00D-08 within 150 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. 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20.27379 20.28919 20.51061 20.53067 71.94088 71.95702 71.96331 71.96494 72.04963 72.05485 1-A. 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 Zr Zr Zr Zr Zr Zr O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 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 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 H H H H H H H H O H 1.453847 1.439749 1.448091 1.426970 1.204900 1.418565 -0.590893 -0.406208 -0.425176 -0.448723 -0.795359 -0.421556 -0.805199 -0.594196 -0.421130 -0.427485 -0.419957 -0.411814 -0.432158 -0.445778 -0.404197 -0.588149 -0.424238 -0.799463 -0.584694 -0.424263 -0.416379 -0.421662 -0.379880 -0.411677 -0.420732 -0.421974 -0.802896 -0.444863 -0.416200 -0.424537 -0.013790 -0.042573 -0.013679 -0.013611 -0.001061 -0.043205 -0.015001 0.458118 -0.009497 0.455896 -0.013809 0.002073 -0.009670 -0.009037 -0.005161 -0.012695 -0.041984 -0.010898 -0.010717 0.436532 -0.000397 -0.002917 -0.014457 -0.014896 -0.011306 -0.020700 0.453466 -0.042146 -0.042116 0.455968 -0.012255 0.001095 -0.009518 -0.011721 -0.013258 -0.012721 -0.043178 0.457710 -0.000903 0.443708 -0.009479 -0.000871 -0.008654 -0.010678 -0.013859 -0.010530 -0.014319 -0.042833 -0.009558 0.457099 -0.010066 -0.049441 -0.013791 -0.010028 -0.014557 0.446505 -0.011708 -0.009196 -0.000722 -0.047839 -0.010443 -0.009770 -0.010200 0.455230 -0.010774 -0.045194 -0.009179 -0.013740 0.444751 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