Gaussian 16 GINC-POLARIS04 MY119NOKO Title ES64L-G16RevC.02 21-Oct-2022 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 24 24 181 181 972 (5D, 7F) def2TZVPP 66 66 C1[X(B12I12)] C1[X(B12I12)] RB3LYP def2TZVPP FOpt # opt freq=noraman b3lyp/def2tzvpp pop=npa empiricaldispersion=gd3bj scf=(maxconventionalcycles=150,xqc) 1652.5856399999996 -2 1 AuxInfo=1/0/N:1,2,8,12,9,5,3,7,10,6,4,11,13,24,19,23,20,16,14,18,21,17,15,22/E:(1,2,3,4,5,6,7,8,9,10,11,12)(13,14,15,16,17,18,19,20,21,22,23,24)/CRV:1.6,2.6,3.6,4.6,5.6,6.6,7.6,8.6,9.6,10.6,11.6,12.6/rA:24nB6B6B6B6B6B6B6B6B6B6B6B6IIIIIIIIIIII/rB:s1;s2;;s1s4;s4s5;s2s3s6;s1s2s3;s1s4s5s8;s3s4s8s9;s3s4s6s7s10;s1s2s5s6s7;s1;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s2;/rC:.5582,1.4897,-.7452;.157,.1364,-1.8048;.531,-1.3742,-.9817;-.1575,-.1345,1.5241;-.5171,1.3868,.6747;-1.5722,-.0309,.4585;-1.1414,-.7953,-1.087;1.5919,.0333,-.7574;1.1653,.8084,.7901;1.1452,-.9717,.6439;-.5482,-1.4867,.4352;-1.1248,.9695,-.9383;1.2488,3.4222,-1.5128;1.1921,-3.1466,-2.0829;-.3704,-.313,3.6967;-1.1986,3.1753,1.7354;-3.6226,-.0738,1.2349;-2.6457,-1.8455,-2.344;3.6648,.0284,-1.4679;2.6498,1.8456,2.0039;2.601,-2.229,1.6708;-1.2701,-3.4112,1.1845;-2.6151,2.2519,-1.9889;.3506,.314,-3.9991; /software/all/Gaussian/g16.C02/bin/g16 /software/all/Gaussian/g16.C02/bin/l1.exe "/work/users/my119noko/203258/Gau-3667642.inp" -scrdir="/work/users/my119noko/203258/" Mem=198GB CPU=0-63 Chk=/home/sc.uni-leipzig.de/my119noko/g16/chk/B12I12_ion.chk # opt freq=noraman b3lyp/def2tzvpp pop=npa empiricaldispersion=gd3bj s 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=44,7=202,11=2,25=1,30=1,71=1,74=-5,124=41/1,2,3 4//1 5/5=2,8=3,13=1,38=5,85=150/2,8 6/7=2,8=2,9=2,10=2,28=1,40=-1/1,7 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=44,7=202,11=2,25=1,30=1,71=1,74=-5,124=41/1,2,3 4/5=5,16=3,69=1/1 5/5=2,8=3,13=1,38=5,85=150/2,8 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1,40=-1/1,7 99/9=1/99 Title 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 1 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 8 8 8 9 9 10 10 11 12 2 5 8 9 12 13 3 7 8 12 24 7 8 10 11 14 5 6 9 10 11 15 6 9 12 16 7 11 12 17 11 12 18 9 10 19 10 20 11 21 22 23 1.7649 1.784 1.786 1.786 1.7721 2.1911 1.7605 1.7519 1.7795 1.7572 2.21 1.773 1.7768 1.7838 1.7846 2.1888 1.7792 1.7742 1.7826 1.7812 1.7796 2.1902 1.7804 1.7828 1.7735 2.1882 1.7773 1.78 1.7754 2.1929 1.774 1.7711 2.2239 1.7826 1.7814 2.1912 1.7862 2.1801 1.7823 2.1805 2.1878 2.2291 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2 2 2 5 5 8 8 9 9 12 1 1 1 3 3 7 7 8 8 12 2 2 2 7 7 7 8 8 10 11 5 5 5 6 6 6 9 9 10 11 1 1 1 4 4 6 6 9 9 12 4 4 4 5 5 5 7 11 11 12 2 2 2 3 3 3 6 11 11 12 1 1 1 2 2 2 3 3 9 10 1 1 1 4 4 5 5 5 8 10 3 3 3 4 4 8 8 9 9 11 3 3 3 4 4 6 6 7 7 10 1 1 1 2 2 2 5 5 6 7 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 5 9 13 8 13 12 13 12 13 13 3 7 24 12 24 8 24 12 24 24 10 11 14 8 10 14 11 14 14 14 10 11 15 9 10 15 11 15 15 15 4 6 16 12 16 9 16 12 16 16 7 12 17 7 11 17 17 12 17 17 6 11 18 6 12 18 18 12 18 18 3 10 19 9 10 19 9 19 19 19 4 10 20 8 20 8 10 20 20 20 4 9 21 8 21 11 21 11 21 21 4 6 22 7 22 10 22 10 22 22 6 7 23 5 6 23 7 23 23 23 107.255 107.5102 122.5182 107.8986 121.3088 108.0358 122.2992 107.7334 122.035 121.3363 109.2063 109.2858 120.9685 109.3451 120.9682 109.0107 120.9593 108.9944 121.2258 121.022 107.7919 107.2636 121.585 108.1836 107.7734 121.2918 108.1074 121.6439 122.4971 122.0758 108.2872 108.2508 121.5762 108.2703 108.2906 121.5338 108.2328 121.5803 121.532 121.5818 107.9061 107.8468 121.7632 107.5947 122.0318 107.9851 121.6734 107.8132 121.8506 121.7687 107.6934 107.728 122.1272 107.7225 108.1744 121.7837 121.743 107.7899 121.7724 121.6824 107.8888 108.116 121.3944 108.506 108.1501 121.1611 122.0526 108.2487 121.8121 121.6263 107.5309 108.0272 123.4775 107.024 107.0648 124.8988 108.1271 121.476 120.5861 119.4073 107.6659 107.8163 121.9134 107.7623 121.8487 108.1019 107.903 121.6214 121.819 121.8256 107.7346 107.6592 121.9318 107.878 121.7738 108.0081 121.8949 107.9548 121.9118 121.5245 107.7675 107.8651 121.7964 107.5992 122.0907 107.9823 121.6762 107.7957 121.7616 121.8432 108.6016 108.0942 121.1586 108.0629 107.7363 121.8717 108.3059 121.4897 121.7672 121.8272 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 5 5 5 9 9 9 13 13 13 2 2 2 8 8 8 13 13 13 5 5 5 12 12 12 13 13 13 2 2 2 12 12 12 13 13 13 8 8 8 9 9 9 13 13 13 1 1 1 12 12 12 24 24 24 1 1 1 8 8 8 24 24 24 7 7 7 12 12 12 24 24 24 3 3 3 8 8 8 24 24 24 8 8 8 10 10 10 14 14 14 7 7 7 11 11 11 14 14 14 2 2 2 7 7 7 14 14 14 2 2 2 8 8 8 14 14 14 10 10 10 11 11 11 15 15 15 9 9 9 10 10 10 15 15 15 6 6 6 11 11 11 15 15 15 5 5 5 6 6 6 15 15 15 5 5 5 9 9 9 15 15 15 1 1 1 9 9 9 16 16 16 6 6 6 12 12 12 16 16 16 4 4 4 9 9 9 16 16 16 4 4 4 5 5 5 17 17 17 5 5 5 12 12 12 17 17 17 4 4 4 11 11 11 17 17 17 2 2 2 12 12 12 18 18 18 3 3 3 11 11 11 18 18 18 2 2 2 3 3 3 19 19 19 1 1 1 2 2 2 19 19 19 1 1 1 5 5 5 20 20 20 8 8 8 9 9 9 21 21 21 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 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 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 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 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 2 2 2 2 2 2 2 2 2 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 12 12 12 3 3 3 3 3 3 3 3 3 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 12 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 6 6 6 6 6 6 6 6 6 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 12 12 12 7 7 7 7 7 7 7 7 7 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 3 7 24 3 7 24 3 7 24 4 6 16 4 6 16 4 6 16 3 10 19 3 10 19 3 10 19 4 10 20 4 10 20 4 10 20 6 7 23 6 7 23 6 7 23 10 11 14 10 11 14 10 11 14 6 11 18 6 11 18 6 11 18 9 10 19 9 10 19 9 10 19 5 6 23 5 6 23 5 6 23 6 12 18 6 12 18 6 12 18 1 9 19 1 9 19 1 9 19 4 9 21 4 9 21 4 9 21 4 6 22 4 6 22 4 6 22 1 12 16 1 12 16 1 12 16 7 12 17 7 12 17 7 12 17 1 8 20 1 8 20 1 8 20 3 8 21 3 8 21 3 8 21 3 7 22 3 7 22 3 7 22 7 11 17 7 11 17 7 11 17 8 10 20 8 10 20 8 10 20 2 7 23 2 7 23 2 7 23 2 3 18 2 3 18 2 3 18 3 10 22 3 10 22 3 10 22 1 2 23 1 2 23 1 2 23 4 10 22 4 10 22 4 10 22 1 5 23 1 5 23 1 5 23 4 5 20 4 5 20 4 5 20 4 11 21 4 11 21 4 11 21 3 11 21 3 11 21 3 11 21 6 7 22 6 7 22 6 7 22 -64.3009 0.3399 148.0772 -1.1958 63.4449 -148.8177 148.2061 -147.1531 0.5843 62.8796 -0.2831 -148.2919 -0.5404 -63.7031 148.2881 -149.1519 147.6855 -0.3234 64.0083 0.4775 -146.0645 0.7696 -62.7613 150.6968 -147.7577 148.7114 2.1695 -62.5891 0.614 149.1177 0.2451 63.4482 -148.0481 147.8291 -148.9678 -0.4641 63.156 -0.5784 -148.3447 -0.0971 -63.8315 148.4021 -147.9536 148.312 0.5457 1.3118 64.4812 -147.9679 -63.1045 0.0649 147.6158 148.9337 -147.8969 -0.3459 -0.2645 -63.8753 147.9776 64.2048 0.594 -147.5531 -148.0053 148.3839 0.2368 -63.9395 -0.7102 146.4706 0.5865 63.8158 -149.0034 148.3721 -148.3986 -1.2178 63.605 -0.0285 -148.2114 -0.5905 -64.224 147.5931 -148.4535 147.913 -0.2699 -63.2998 0.3161 147.786 0.169 63.7848 -148.7453 148.9355 -147.4486 0.0212 -0.669 62.7622 -151.3231 -63.9703 -0.5392 145.3755 146.9595 -149.6093 -3.6946 62.3609 -0.911 -149.349 -0.3934 -63.6652 147.8968 -148.7009 148.0272 -0.4108 -63.2146 -0.076 148.0226 0.5201 63.6587 -148.2427 149.4289 -147.4325 0.6661 0.3989 63.4684 -148.3283 -63.2206 -0.1511 148.0522 148.5704 -148.3601 -0.1568 63.354 0.2419 -148.1707 -0.3665 -63.4786 148.1087 -148.4753 148.4125 -0.0001 -0.3016 -63.6903 148.0164 63.3605 -0.0283 -148.3215 -148.4545 148.1568 -0.1365 -63.2314 -0.1035 148.4179 0.4708 63.5987 -147.8799 148.5803 -148.2918 0.2296 63.3057 0.249 -148.043 -0.3029 -63.3597 148.3483 -148.4874 148.4558 0.1639 0.1242 63.3522 -147.8463 -63.3801 -0.1521 148.6494 148.1677 -148.6043 0.1972 63.3347 0.0174 -148.1614 0.0018 -63.3154 148.5057 -148.2806 148.4022 0.2233 -63.0205 -0.0051 148.6501 0.3611 63.3765 -147.9683 148.6749 -148.3098 0.3454 -63.3081 0.1216 148.7029 0.084 63.5137 -147.905 148.0702 -148.5001 0.0812 -63.1894 0.2287 148.6658 0.0591 63.4771 -148.0858 148.0048 -148.5771 -0.14 -0.0892 63.4177 -148.3592 -63.5263 -0.0194 148.2037 148.4931 -148.0 0.2231 63.0802 -0.2434 -148.5014 -0.2519 -63.5756 148.1664 -148.9328 147.7435 -0.5145 0.1639 -63.8012 147.6706 64.125 0.1599 -148.3682 -147.1243 148.9106 0.3824 62.9089 -0.3574 -148.7864 0.3508 -62.9156 148.6554 -145.9238 150.8098 2.3809 -0.2316 63.0958 -148.7069 -62.7755 0.5518 148.7492 147.9061 -148.7665 -0.5692 0.1814 -63.2389 148.6271 63.5439 0.1235 -148.0105 -148.3557 148.2239 0.0899 -63.5961 -0.1964 148.0304 -0.2174 63.1824 -148.5909 148.065 -148.5352 -0.3085 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 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-0.00004 -2.58800 0.00005 -1.10721 2.58801 -2.58793 2.58799 0.00003 0.00004 -1.10722 2.58803 1.10720 -0.00006 -2.58799 -2.58787 2.58805 0.00012 -1.10718 0.00004 2.58815 -0.00003 1.10719 -2.58789 2.58784 -2.58813 -0.00001 1.10713 -0.00004 -2.58775 -0.00002 -1.10719 2.58828 -2.58822 2.58779 0.00008 0.00006 1.10730 -2.58782 -1.10717 0.00007 2.58814 2.58780 -2.58815 -0.00008 1.10708 -0.00005 -2.58817 -0.00005 -1.10717 2.58789 -2.58799 2.58806 -0.00006 -1.10708 -0.00001 2.58808 0.00004 1.10711 -2.58799 2.58815 -2.58796 0.00012 -1.10714 -0.00005 2.58816 0.00003 1.10712 -2.58785 2.58798 -2.58812 0.00010 -1.10732 -0.00007 2.58824 -0.00007 1.10718 -2.58770 2.58781 -2.58812 0.00019 0.00002 1.10714 -2.58799 -1.10714 -0.00001 2.58804 2.58809 -2.58798 0.00008 1.10710 -0.00004 -2.58817 0.00004 -1.10710 2.58796 -2.58800 2.58805 -0.00008 -0.00000 -1.10709 2.58798 1.10707 -0.00002 -2.58813 -2.58794 2.58815 0.00004 1.10725 0.00004 -2.58793 0.00012 -1.10710 2.58812 -2.58810 2.58787 -0.00010 -0.00007 1.10716 -2.58827 -1.10718 0.00006 2.58781 2.58809 -2.58786 -0.00010 0.00003 -1.10716 2.58789 1.10720 0.00001 -2.58813 -2.58788 2.58812 -0.00002 -1.10715 -0.00001 2.58788 0.00004 1.10718 -2.58812 2.58828 -2.58777 0.00012 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000039 0.000009 0.000547 0.000086 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.704458e-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 1 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 8 8 8 9 9 10 10 11 12 2 5 8 9 12 13 3 7 8 12 24 7 8 10 11 14 5 6 9 10 11 15 6 9 12 16 7 11 12 17 11 12 18 9 10 19 10 20 11 21 22 23 1.7824 1.7822 1.7825 1.7823 1.7823 2.1779 1.7823 1.7822 1.7824 1.7822 2.1781 1.7824 1.7824 1.7823 1.7822 2.1779 1.7821 1.7823 1.7819 1.7819 1.7821 2.1781 1.7823 1.7821 1.7825 2.178 1.7824 1.7823 1.7823 2.1779 1.7824 1.7825 2.178 1.7821 1.782 2.178 1.7819 2.1781 1.7821 2.1779 2.178 2.1778 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 2 5 5 8 8 9 9 12 1 1 1 3 3 7 7 8 8 12 2 2 2 7 7 7 8 8 10 11 5 5 5 6 6 6 9 9 10 11 1 1 1 4 4 6 6 9 9 12 4 4 4 5 5 5 7 11 11 12 2 2 2 3 3 3 6 11 11 12 1 1 1 2 2 2 3 3 9 10 1 1 1 4 4 5 5 5 8 10 3 3 3 4 4 8 8 9 9 11 3 3 3 4 4 6 6 7 7 10 1 1 1 2 2 2 5 5 6 7 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 5 9 13 8 13 12 13 12 13 13 3 7 24 12 24 8 24 12 24 24 10 11 14 8 10 14 11 14 14 14 10 11 15 9 10 15 11 15 15 15 4 6 16 12 16 9 16 12 16 16 7 12 17 7 11 17 17 12 17 17 6 11 18 6 12 18 18 12 18 18 3 10 19 9 10 19 9 19 19 19 4 10 20 8 20 8 10 20 20 20 4 9 21 8 21 11 21 11 21 21 4 6 22 7 22 10 22 10 22 22 6 7 23 5 6 23 7 23 23 23 107.9931 107.9848 121.7219 107.9899 121.7275 107.9961 121.7145 107.9988 121.724 121.7213 108.011 108.0142 121.7098 108.017 121.7078 108.0084 121.7124 108.0074 121.7099 121.7135 107.9819 107.9869 121.7227 107.998 107.996 121.7143 107.9845 121.7217 121.7314 121.7283 108.0069 108.0106 121.7057 108.0052 108.0071 121.6971 108.0074 121.7272 121.7284 121.7072 107.9994 107.9995 121.7079 107.9985 121.7366 107.9962 121.7135 108.003 121.734 121.6973 107.999 108.0011 121.7251 108.0112 107.9943 121.7158 121.7095 108.0051 121.7217 121.7091 107.9819 107.9828 121.7152 107.9916 107.9985 121.7213 121.732 107.9892 121.7418 121.7101 108.005 107.9979 121.7126 107.9934 107.9955 121.7095 108.0029 121.7074 121.7314 121.7296 108.0039 108.0083 121.7086 108.0003 121.7223 108.008 108.0081 121.7152 121.7092 121.7152 108.0064 108.0141 121.6955 108.0059 121.7247 108.0067 121.7116 108.0046 121.7271 121.7063 108.0048 108.0043 121.7127 108.0055 121.7293 107.9968 121.7034 108.0066 121.691 121.7404 107.991 108.0024 121.7069 107.9882 107.9867 121.7166 107.9963 121.7261 121.7361 121.7225 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 5 5 5 9 9 9 13 13 13 2 2 2 8 8 8 13 13 13 5 5 5 12 12 12 13 13 13 2 2 2 12 12 12 13 13 13 8 8 8 9 9 9 13 13 13 1 1 1 12 12 12 24 24 24 1 1 1 8 8 8 24 24 24 7 7 7 12 12 12 24 24 24 3 3 3 8 8 8 24 24 24 8 8 8 10 10 10 14 14 14 7 7 7 11 11 11 14 14 14 2 2 2 7 7 7 14 14 14 2 2 2 8 8 8 14 14 14 10 10 10 11 11 11 15 15 15 9 9 9 10 10 10 15 15 15 6 6 6 11 11 11 15 15 15 5 5 5 6 6 6 15 15 15 5 5 5 9 9 9 15 15 15 1 1 1 9 9 9 16 16 16 6 6 6 12 12 12 16 16 16 4 4 4 9 9 9 16 16 16 4 4 4 5 5 5 17 17 17 5 5 5 12 12 12 17 17 17 4 4 4 11 11 11 17 17 17 2 2 2 12 12 12 18 18 18 3 3 3 11 11 11 18 18 18 2 2 2 3 3 3 19 19 19 1 1 1 2 2 2 19 19 19 1 1 1 5 5 5 20 20 20 8 8 8 9 9 9 21 21 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 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 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 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 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 2 2 2 2 2 2 2 2 2 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 12 12 12 3 3 3 3 3 3 3 3 3 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 12 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 6 6 6 6 6 6 6 6 6 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 12 12 12 7 7 7 7 7 7 7 7 7 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 3 7 24 3 7 24 3 7 24 4 6 16 4 6 16 4 6 16 3 10 19 3 10 19 3 10 19 4 10 20 4 10 20 4 10 20 6 7 23 6 7 23 6 7 23 10 11 14 10 11 14 10 11 14 6 11 18 6 11 18 6 11 18 9 10 19 9 10 19 9 10 19 5 6 23 5 6 23 5 6 23 6 12 18 6 12 18 6 12 18 1 9 19 1 9 19 1 9 19 4 9 21 4 9 21 4 9 21 4 6 22 4 6 22 4 6 22 1 12 16 1 12 16 1 12 16 7 12 17 7 12 17 7 12 17 1 8 20 1 8 20 1 8 20 3 8 21 3 8 21 3 8 21 3 7 22 3 7 22 3 7 22 7 11 17 7 11 17 7 11 17 8 10 20 8 10 20 8 10 20 2 7 23 2 7 23 2 7 23 2 3 18 2 3 18 2 3 18 3 10 22 3 10 22 3 10 22 1 2 23 1 2 23 1 2 23 4 10 22 4 10 22 4 10 22 1 5 23 1 5 23 1 5 23 4 5 20 4 5 20 4 5 20 4 11 21 4 11 21 4 11 21 3 11 21 3 11 21 3 11 21 6 7 22 6 7 22 6 7 -63.4344 0.0121 148.2962 -0.0092 63.4373 -148.2786 148.2676 -148.2859 -0.0018 63.4248 -0.0126 -148.2709 -0.0036 -63.441 148.3007 -148.2793 148.2833 0.025 63.4425 0.001 -148.2944 0.0021 -63.4395 148.2652 -148.2769 148.2816 -0.0137 -63.4318 0.006 148.2838 -0.0066 63.4312 -148.291 148.2922 -148.27 0.0078 63.4326 -0.0005 -148.28 0.0087 -63.4244 148.2961 -148.2911 148.2758 -0.0037 0.0089 63.4309 -148.279 -63.4331 -0.0111 148.279 148.2791 -148.299 -0.0088 -0.007 -63.4317 148.27 63.4366 0.0119 -148.2864 -148.2901 148.2852 -0.0131 -63.4412 -0.0135 148.2727 0.0097 63.4375 -148.2763 148.2845 -148.2878 -0.0015 63.4328 0.0067 -148.2889 -0.0081 -63.4342 148.2702 -148.2815 148.2924 -0.0032 -63.4229 0.0025 148.2738 -0.0039 63.4215 -148.3072 148.2946 -148.28 -0.0088 -0.0028 63.4331 -148.2679 -63.4384 -0.0025 148.2964 148.2769 -148.2872 0.0118 63.4322 -0.0052 -148.2954 0.0087 -63.4287 148.2811 -148.2832 148.2793 -0.0109 -63.4281 0.0113 148.2653 0.0018 63.4411 -148.3049 148.284 -148.2767 -0.0227 0.0049 63.4409 -148.2884 -63.4373 -0.0013 148.2693 148.3018 -148.2621 0.0085 63.4464 0.0034 -148.2765 0.0077 -63.4353 148.2848 -148.2756 148.2813 0.0014 0.002 -63.4445 148.2812 63.4453 -0.0012 -148.2755 -148.2644 148.2891 0.0147 -63.4505 -0.0043 148.2883 -0.0102 63.436 -148.2714 148.2613 -148.2926 0.0 63.4414 -0.0002 -148.2582 -0.0004 -63.442 148.3 -148.2983 148.2601 0.0021 0.0082 63.447 -148.2746 -63.4329 0.0059 148.2843 148.2644 -148.2968 -0.0184 63.4336 -0.0023 -148.2904 0.0026 -63.4333 148.2785 -148.2715 148.2926 0.0044 -63.4228 0.0023 148.3025 0.0034 63.4286 -148.2712 148.2915 -148.2833 0.0169 -63.4325 -0.0024 148.2969 -0.0007 63.4294 -148.2714 148.2845 -148.2854 0.0139 -63.4495 -0.0072 148.2929 -0.0071 63.4352 -148.2647 148.2743 -148.2834 0.0167 -0.0075 63.4281 -148.2838 -63.4353 0.0002 148.2884 148.2785 -148.286 0.0022 63.4248 -0.0058 -148.3025 0.0016 -63.429 148.2743 -148.287 148.2823 -0.0144 -0.0012 -63.4261 148.2723 63.4224 -0.0024 -148.304 -148.2768 148.2983 -0.0033 63.4348 -0.0076 -148.2859 0.0023 -63.4401 148.2817 -148.2875 148.2701 -0.0082 0.0021 63.4425 -148.2955 -63.4305 0.0099 148.2719 148.2909 -148.2686 -0.0067 -0.0005 -63.4387 148.2777 63.4361 -0.0022 -148.2858 -148.2757 148.286 0.0024 -63.4387 -0.0025 148.2754 0.0058 63.442 -148.2801 148.2973 -148.2665 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1652.5856399999996 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2.47307 2.47310 2.54870 2.54876 2.54880 2.54882 2.54886 2.57941 2.57944 2.57945 2.62619 2.62621 2.62623 2.62626 2.62629 2.64134 2.64137 2.64141 2.71709 2.71711 2.71718 2.71719 2.76620 2.78642 2.78644 2.78647 2.78648 2.78652 2.83384 2.83387 2.83392 2.85395 2.85400 2.85406 2.85406 2.85409 2.87915 2.87922 2.87922 2.87925 2.89817 2.89820 2.89823 2.89826 2.95811 2.95815 2.95822 3.01976 3.01977 3.01983 3.01986 3.01990 3.02647 3.03658 3.03661 3.03664 3.03667 3.08809 3.08816 3.08818 3.15791 3.15796 3.15803 3.16690 3.16691 3.16693 3.16698 3.16699 3.17611 3.17615 3.17617 3.22022 3.22027 3.22031 3.22033 3.22036 3.26141 3.26141 3.26142 3.26142 3.26217 3.26217 3.26218 3.26218 3.27721 3.27726 3.27731 3.27995 3.27997 3.27999 3.28360 3.28364 3.28369 3.29631 3.29634 3.29635 3.29637 3.29639 3.30676 3.30676 3.30677 3.30678 3.30678 3.33786 3.33787 3.33790 3.33795 3.34647 3.34648 3.34650 3.34654 3.34658 3.34756 3.34757 3.34758 3.34761 3.36069 3.36072 3.36076 3.39590 3.39593 3.39596 3.42460 3.42461 3.42466 3.42470 3.42471 3.42809 3.42810 3.42812 3.42820 3.43312 3.43314 3.43315 3.43316 3.43317 3.44280 3.44280 3.44282 3.44285 3.44288 3.44298 3.44301 3.44302 3.49449 3.49451 3.49453 3.49454 3.49458 3.53341 3.53343 3.53344 3.53347 3.56628 3.56630 3.56631 3.60967 3.60967 3.60969 3.61084 3.61092 3.61094 3.61104 3.63495 3.63496 3.63498 3.63502 3.63504 3.64125 3.64130 3.64132 3.64133 3.65207 3.72554 3.72556 3.72561 3.74804 3.74805 3.74807 3.74809 3.74811 3.76125 3.76126 3.76129 3.81631 3.81633 3.81642 3.83232 3.83236 3.83247 3.84632 3.84633 3.84642 3.84645 3.84649 3.96144 3.96145 3.96154 3.96162 3.96164 4.03288 4.03300 4.03305 4.11271 4.11273 4.11282 4.80122 4.89700 4.89708 4.89711 4.92019 4.92026 4.92027 4.92030 4.92036 5.07687 5.07689 5.07700 14.86472 14.86478 14.86480 14.86490 14.86506 14.90877 14.90882 14.90893 14.96683 14.96686 14.96699 15.04508 34.80927 34.80929 34.80931 34.80932 34.85072 34.85074 34.85075 34.85077 34.85081 34.88034 34.88035 34.88037 34.88038 34.88039 34.89338 34.89340 34.89340 34.90835 34.90837 34.90842 34.90842 34.99217 34.99218 34.99218 35.07784 35.07786 35.07791 35.11695 35.12865 35.12871 35.12873 35.16810 35.16810 35.16815 35.16818 35.16826 43.23835 43.28584 43.28589 43.28590 43.29601 43.29605 43.29607 43.29608 43.29613 43.33641 43.33645 43.33650 118.08781 118.10013 118.10014 118.10015 118.10239 118.10240 118.10241 118.10242 118.10243 118.11288 118.11289 118.11290 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 B B B B B B B B B B B B I I I I I I I I I I I I 0.019395 0.019354 0.019082 0.019145 0.019111 0.018548 0.019435 0.018627 0.019165 0.018788 0.019294 0.018853 -0.185689 -0.185671 -0.185849 -0.185751 -0.185725 -0.185688 -0.185712 -0.185774 -0.185720 -0.185772 -0.185590 -0.185853 -2.00000 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.0005 -0.0002 -0.0019 0.0020 -461.2898 -461.2933 -461.2921 -0.0020 -0.0062 -0.0020 0.0020 -0.0016 -0.0004 -0.0020 -0.0062 -0.0020 -0.0318 -0.0190 -0.0662 -0.0004 -0.0040 -0.0194 0.0024 0.0003 -0.0168 0.0092 -11424.3850 -11424.0027 -11423.6440 0.0243 -0.0718 0.0020 0.0316 -0.0987 -0.0270 -3808.0789 -3808.0180 -3807.9835 -0.0086 -0.0077 -0.0188 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -3872.885824 2.605E-9 4.466E-5 0.0012968,0.0038164,-0.0051133,-0.0023933,0.0007538,-0.0004212 C01 [X(B12I12)] -0.0003344 0.0001359 -0.0007011 -0.000002717 -0.000088089 -0.000049743 0.000042142 -0.000015129 -0.000042891 -0.000047726 0.000113568 0.000028324 -0.000099166 0.000025091 0.000107958 -0.000046270 -0.000006337 -0.000070964 0.000045834 -0.000004417 -0.000044543 0.000061270 0.000073643 0.000050374 -0.000091088 0.000022397 -0.000065905 0.000069832 0.000084051 -0.000001247 0.000025211 -0.000118848 -0.000003612 -0.000074511 -0.000027866 -0.000024417 0.000093929 -0.000057977 0.000038203 0.000001245 -0.000002656 0.000004089 0.000002871 0.000005103 0.000005039 0.000022341 0.000002429 -0.000032107 0.000011078 -0.000020172 0.000010579 -0.000009649 -0.000004789 0.000003479 0.000017786 0.000007838 0.000033349 0.000006764 0.000005069 0.000011008 -0.000015086 -0.000007517 -0.000006255 0.000014075 -0.000000530 0.000015491 0.000016793 0.000003424 0.000006005 -0.000040005 0.000011289 -0.000003892 -0.000004954 0.000000424 0.000031678 1652.5856399999996 AuxInfo=1/0/N:1,2,8,12,9,5,3,7,10,6,4,11,13,24,19,23,20,16,14,18,21,17,15,22/E:(1,2,3,4,5,6,7,8,9,10,11,12)(13,14,15,16,17,18,19,20,21,22,23,24)/CRV:1.6,2.6,3.6,4.6,5.6,6.6,7.6,8.6,9.6,10.6,11.6,12.6/rA:24nB6B6B6B6B6B6B6B6B6B6B6B6IIIIIIIIIIII/rB:s1;s2;;s1s4;s4s5;s2s3s6;s1s2s3;s1s4s5s8;s3s4s8s9;s3s4s6s7s10;s1s2s5s6s7;s1;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s2;/rC:.56,1.4919,-.7383;.1695,.1408,-1.8333;.5273,-1.382,-.979;-.1633,-.1368,1.5286;-.5211,1.3859,.6744;-1.58,-.0305,.4524;-1.1533,-.8001,-1.0975;1.5862,.0345,-.7569;1.1591,.8039,.7928;1.1389,-.9717,.6441;-.5539,-1.4876,.4339;-1.133,.9761,-.9488;1.276,3.4059,-1.4915;1.201,-3.1599,-2.0412;-.3779,-.3151,3.6887;-1.1951,3.1641,1.7362;-3.6142,-.0722,1.2295;-2.6388,-1.8304,-2.3123;3.6202,.0763,-1.5344;2.6449,1.8344,2.0071;2.5984,-2.2234,1.6672;-1.2703,-3.4017,1.1867;-2.592,2.2276,-1.9723;.3837,.3191,-3.9934; Gaussian 16 GINC-POLARIS04 MY119NOKO Title ES64L-G16RevC.02 66 C1[X(B12I12)] RB3LYP def2TZVPP Freq #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/def2TZVPP Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1652.5856399999996 AuxInfo=1/0/N:1,2,8,12,9,5,3,7,10,6,4,11,13,24,19,23,20,16,14,18,21,17,15,22/E:(1,2,3,4,5,6,7,8,9,10,11,12)(13,14,15,16,17,18,19,20,21,22,23,24)/CRV:1.6,2.6,3.6,4.6,5.6,6.6,7.6,8.6,9.6,10.6,11.6,12.6/rA:24nB6B6B6B6B6B6B6B6B6B6B6B6IIIIIIIIIIII/rB:s1;s2;;s1s4;s4s5;s2s3s6;s1s2s3;s1s4s5s8;s3s4s8s9;s3s4s6s7s10;s1s2s5s6s7;s1;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s2;/rC:.56,1.4919,-.7383;.1695,.1408,-1.8333;.5273,-1.382,-.979;-.1633,-.1368,1.5286;-.5211,1.3859,.6744;-1.58,-.0305,.4524;-1.1533,-.8001,-1.0975;1.5862,.0345,-.7569;1.1591,.8039,.7928;1.1389,-.9717,.6441;-.5539,-1.4876,.4339;-1.133,.9761,-.9488;1.276,3.4059,-1.4915;1.201,-3.1599,-2.0412;-.3779,-.3151,3.6887;-1.1951,3.1641,1.7362;-3.6142,-.0722,1.2295;-2.6388,-1.8304,-2.3123;3.6202,.0763,-1.5344;2.6449,1.8344,2.0071;2.5984,-2.2234,1.6672;-1.2703,-3.4017,1.1867;-2.592,2.2276,-1.9723;.3837,.3191,-3.9934; Title Redundant internal coordinates found in file. (old form). Charge = -2 Multiplicity = 1 Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 1 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 8 8 8 9 9 10 10 11 12 2 5 8 9 12 13 3 7 8 12 24 7 8 10 11 14 5 6 9 10 11 15 6 9 12 16 7 11 12 17 11 12 18 9 10 19 10 20 11 21 22 23 1.7824 1.7822 1.7825 1.7823 1.7823 2.1779 1.7823 1.7822 1.7824 1.7822 2.1781 1.7824 1.7824 1.7823 1.7822 2.1779 1.7821 1.7823 1.7819 1.7819 1.7821 2.1781 1.7823 1.7821 1.7825 2.178 1.7824 1.7823 1.7823 2.1779 1.7824 1.7825 2.178 1.7821 1.782 2.178 1.7819 2.1781 1.7821 2.1779 2.178 2.1778 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 2 2 2 5 5 8 8 9 9 12 1 1 1 3 3 7 7 8 8 12 2 2 2 7 7 7 8 8 10 11 5 5 5 6 6 6 9 9 10 11 1 1 1 4 4 6 6 9 9 12 4 4 4 5 5 5 7 11 11 12 2 2 2 3 3 3 6 11 11 12 1 1 1 2 2 2 3 3 9 10 1 1 1 4 4 5 5 5 8 10 3 3 3 4 4 8 8 9 9 11 3 3 3 4 4 6 6 7 7 10 1 1 1 2 2 2 5 5 6 7 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 5 9 13 8 13 12 13 12 13 13 3 7 24 12 24 8 24 12 24 24 10 11 14 8 10 14 11 14 14 14 10 11 15 9 10 15 11 15 15 15 4 6 16 12 16 9 16 12 16 16 7 12 17 7 11 17 17 12 17 17 6 11 18 6 12 18 18 12 18 18 3 10 19 9 10 19 9 19 19 19 4 10 20 8 20 8 10 20 20 20 4 9 21 8 21 11 21 11 21 21 4 6 22 7 22 10 22 10 22 22 6 7 23 5 6 23 7 23 23 23 107.9931 107.9848 121.7219 107.9899 121.7275 107.9961 121.7145 107.9988 121.724 121.7213 108.011 108.0142 121.7098 108.017 121.7078 108.0084 121.7124 108.0074 121.7099 121.7135 107.9819 107.9869 121.7227 107.998 107.996 121.7143 107.9845 121.7217 121.7314 121.7283 108.0069 108.0106 121.7057 108.0052 108.0071 121.6971 108.0074 121.7272 121.7284 121.7072 107.9994 107.9995 121.7079 107.9985 121.7366 107.9962 121.7135 108.003 121.734 121.6973 107.999 108.0011 121.7251 108.0112 107.9943 121.7158 121.7095 108.0051 121.7217 121.7091 107.9819 107.9828 121.7152 107.9916 107.9985 121.7213 121.732 107.9892 121.7418 121.7101 108.005 107.9979 121.7126 107.9934 107.9955 121.7095 108.0029 121.7074 121.7314 121.7296 108.0039 108.0083 121.7086 108.0003 121.7223 108.008 108.0081 121.7152 121.7092 121.7152 108.0064 108.0141 121.6955 108.0059 121.7247 108.0067 121.7116 108.0046 121.7271 121.7063 108.0048 108.0043 121.7127 108.0055 121.7293 107.9968 121.7034 108.0066 121.691 121.7404 107.991 108.0024 121.7069 107.9882 107.9867 121.7166 107.9963 121.7261 121.7361 121.7225 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate 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analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 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analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 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 5 5 5 9 9 9 13 13 13 2 2 2 8 8 8 13 13 13 5 5 5 12 12 12 13 13 13 2 2 2 12 12 12 13 13 13 8 8 8 9 9 9 13 13 13 1 1 1 12 12 12 24 24 24 1 1 1 8 8 8 24 24 24 7 7 7 12 12 12 24 24 24 3 3 3 8 8 8 24 24 24 8 8 8 10 10 10 14 14 14 7 7 7 11 11 11 14 14 14 2 2 2 7 7 7 14 14 14 2 2 2 8 8 8 14 14 14 10 10 10 11 11 11 15 15 15 9 9 9 10 10 10 15 15 15 6 6 6 11 11 11 15 15 15 5 5 5 6 6 6 15 15 15 5 5 5 9 9 9 15 15 15 1 1 1 9 9 9 16 16 16 6 6 6 12 12 12 16 16 16 4 4 4 9 9 9 16 16 16 4 4 4 5 5 5 17 17 17 5 5 5 12 12 12 17 17 17 4 4 4 11 11 11 17 17 17 2 2 2 12 12 12 18 18 18 3 3 3 11 11 11 18 18 18 2 2 2 3 3 3 19 19 19 1 1 1 2 2 2 19 19 19 1 1 1 5 5 5 20 20 20 8 8 8 9 9 9 21 21 21 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 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 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 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 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 2 2 2 2 2 2 2 2 2 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 12 12 12 3 3 3 3 3 3 3 3 3 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 12 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 6 6 6 6 6 6 6 6 6 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 12 12 12 7 7 7 7 7 7 7 7 7 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 3 7 24 3 7 24 3 7 24 4 6 16 4 6 16 4 6 16 3 10 19 3 10 19 3 10 19 4 10 20 4 10 20 4 10 20 6 7 23 6 7 23 6 7 23 10 11 14 10 11 14 10 11 14 6 11 18 6 11 18 6 11 18 9 10 19 9 10 19 9 10 19 5 6 23 5 6 23 5 6 23 6 12 18 6 12 18 6 12 18 1 9 19 1 9 19 1 9 19 4 9 21 4 9 21 4 9 21 4 6 22 4 6 22 4 6 22 1 12 16 1 12 16 1 12 16 7 12 17 7 12 17 7 12 17 1 8 20 1 8 20 1 8 20 3 8 21 3 8 21 3 8 21 3 7 22 3 7 22 3 7 22 7 11 17 7 11 17 7 11 17 8 10 20 8 10 20 8 10 20 2 7 23 2 7 23 2 7 23 2 3 18 2 3 18 2 3 18 3 10 22 3 10 22 3 10 22 1 2 23 1 2 23 1 2 23 4 10 22 4 10 22 4 10 22 1 5 23 1 5 23 1 5 23 4 5 20 4 5 20 4 5 20 4 11 21 4 11 21 4 11 21 3 11 21 3 11 21 3 11 21 6 7 22 6 7 22 6 7 22 -63.4344 0.0121 148.2962 -0.0092 63.4373 -148.2786 148.2676 -148.2859 -0.0018 63.4248 -0.0126 -148.2709 -0.0036 -63.441 148.3007 -148.2793 148.2833 0.025 63.4425 0.001 -148.2944 0.0021 -63.4395 148.2652 -148.2769 148.2816 -0.0137 -63.4318 0.006 148.2838 -0.0066 63.4312 -148.291 148.2922 -148.27 0.0078 63.4326 -0.0005 -148.28 0.0087 -63.4244 148.2961 -148.2911 148.2758 -0.0037 0.0089 63.4309 -148.279 -63.4331 -0.0111 148.279 148.2791 -148.299 -0.0088 -0.007 -63.4317 148.27 63.4366 0.0119 -148.2864 -148.2901 148.2852 -0.0131 -63.4412 -0.0135 148.2727 0.0097 63.4375 -148.2763 148.2845 -148.2878 -0.0015 63.4328 0.0067 -148.2889 -0.0081 -63.4342 148.2702 -148.2815 148.2924 -0.0032 -63.4229 0.0025 148.2738 -0.0039 63.4215 -148.3072 148.2946 -148.28 -0.0088 -0.0028 63.4331 -148.2679 -63.4384 -0.0025 148.2964 148.2769 -148.2872 0.0118 63.4322 -0.0052 -148.2954 0.0087 -63.4287 148.2811 -148.2832 148.2793 -0.0109 -63.4281 0.0113 148.2653 0.0018 63.4411 -148.3049 148.284 -148.2767 -0.0227 0.0049 63.4409 -148.2884 -63.4373 -0.0013 148.2693 148.3018 -148.2621 0.0085 63.4464 0.0034 -148.2765 0.0077 -63.4353 148.2848 -148.2756 148.2813 0.0014 0.002 -63.4445 148.2812 63.4453 -0.0012 -148.2755 -148.2644 148.2891 0.0147 -63.4505 -0.0043 148.2883 -0.0102 63.436 -148.2714 148.2613 -148.2926 0.0 63.4414 -0.0002 -148.2582 -0.0004 -63.442 148.3 -148.2983 148.2601 0.0021 0.0082 63.447 -148.2746 -63.4329 0.0059 148.2843 148.2644 -148.2968 -0.0184 63.4336 -0.0023 -148.2904 0.0026 -63.4333 148.2785 -148.2715 148.2926 0.0044 -63.4228 0.0023 148.3025 0.0034 63.4286 -148.2712 148.2915 -148.2833 0.0169 -63.4325 -0.0024 148.2969 -0.0007 63.4294 -148.2714 148.2845 -148.2854 0.0139 -63.4495 -0.0072 148.2929 -0.0071 63.4352 -148.2647 148.2743 -148.2834 0.0167 -0.0075 63.4281 -148.2838 -63.4353 0.0002 148.2884 148.2785 -148.286 0.0022 63.4248 -0.0058 -148.3025 0.0016 -63.429 148.2743 -148.287 148.2823 -0.0144 -0.0012 -63.4261 148.2723 63.4224 -0.0024 -148.304 -148.2768 148.2983 -0.0033 63.4348 -0.0076 -148.2859 0.0023 -63.4401 148.2817 -148.2875 148.2701 -0.0082 0.0021 63.4425 -148.2955 -63.4305 0.0099 148.2719 148.2909 -148.2686 -0.0067 -0.0005 -63.4387 148.2777 63.4361 -0.0022 -148.2858 -148.2757 148.286 0.0024 -63.4387 -0.0025 148.2754 0.0058 63.442 -148.2801 148.2973 -148.2665 0.0114 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate 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analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. 0.01214 0.01214 0.01215 0.01215 0.01216 0.01501 0.01501 0.01501 0.01502 0.01555 0.01556 0.01557 0.02108 0.02109 0.02110 0.02110 0.02211 0.02213 0.02214 0.02215 0.02215 0.02346 0.02348 0.02348 0.02348 0.02350 0.02475 0.02477 0.02479 0.02479 0.02978 0.02980 0.02983 0.03531 0.03536 0.03539 0.03654 0.03658 0.03662 0.03663 0.03668 0.06690 0.06693 0.06702 0.06864 0.06865 0.06867 0.06868 0.08747 0.08749 0.08752 0.08753 0.08754 0.08887 0.13437 0.13456 0.13467 0.13474 0.13478 0.13481 0.13484 0.13491 0.13531 0.13547 0.13552 0.13929 Angle between quadratic step and forces= 33.77 degrees. 1 2 0.00011687 0.00000003 0.00000004 0.00000002 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 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 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 3.36826 3.36779 3.36843 3.36807 3.36815 4.11566 3.36812 3.36788 3.36819 3.36790 4.11595 3.36831 3.36821 3.36812 3.36788 4.11562 3.36775 3.36800 3.36729 3.36735 3.36766 4.11597 3.36800 3.36767 3.36836 4.11582 3.36823 3.36811 3.36800 4.11573 3.36829 3.36850 4.11588 3.36777 3.36746 4.11577 3.36738 4.11599 3.36768 4.11572 4.11581 4.11537 1.88484 1.88469 2.12445 1.88478 2.12455 1.88489 2.12432 1.88494 2.12448 2.12444 1.88515 1.88520 2.12424 1.88525 2.12420 1.88510 2.12428 1.88508 2.12424 2.12430 1.88464 1.88473 2.12446 1.88492 1.88489 2.12432 1.88469 2.12445 2.12461 2.12456 1.88508 1.88514 2.12416 1.88505 1.88508 2.12402 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0.00002 -0.00006 -0.00016 0.00026 -0.00011 -0.00021 0.00003 -0.00015 -0.00003 0.00001 0.00034 -0.00016 0.00036 -0.00032 0.00014 -0.00003 0.00025 0.00020 0.00016 0.00016 -0.00000 -0.00019 -0.00041 -0.00008 0.00011 -0.00012 -0.00023 0.00018 -0.00004 -0.00016 0.00026 0.00004 -0.00008 0.00013 0.00015 -0.00024 0.00009 0.00011 -0.00028 0.00011 0.00013 -0.00026 -0.00010 -0.00003 0.00025 0.00003 0.00010 0.00038 -0.00026 -0.00019 0.00009 -0.00009 -0.00012 -0.00003 0.00009 0.00005 0.00015 -0.00028 -0.00032 -0.00022 -0.00007 -0.00005 -0.00024 -0.00018 -0.00017 -0.00036 0.00027 0.00029 0.00010 -0.00018 0.00005 0.00002 0.00001 0.00023 0.00020 0.00005 0.00027 0.00024 0.00003 -0.00012 0.00015 -0.00013 -0.00028 -0.00001 0.00020 0.00005 0.00032 0.00014 0.00033 0.00028 -0.00014 0.00005 -0.00000 -0.00016 0.00003 -0.00002 -0.00007 -0.00015 0.00015 0.00008 -0.00000 0.00029 0.00001 -0.00007 0.00023 -0.00021 -0.00004 0.00010 0.00012 0.00030 0.00044 -0.00005 0.00012 0.00027 0.00001 0.00010 -0.00024 -0.00007 0.00003 -0.00031 -0.00006 0.00004 -0.00031 0.00002 0.00010 0.00041 -0.00022 -0.00014 0.00016 -0.00017 -0.00009 0.00021 -0.00008 -0.00022 0.00014 0.00004 -0.00011 0.00025 0.00001 -0.00014 0.00022 -0.00012 -0.00014 -0.00003 0.00006 0.00004 0.00015 -0.00032 -0.00035 -0.00024 -0.00023 -0.00015 -0.00022 -0.00016 -0.00008 -0.00014 0.00001 0.00009 0.00003 0.00004 0.00027 0.00010 -0.00012 0.00011 -0.00006 -0.00041 -0.00018 -0.00035 0.00038 0.00011 -0.00013 0.00024 -0.00003 -0.00027 0.00034 0.00007 -0.00017 -0.00023 -0.00002 -0.00042 -0.00009 0.00012 -0.00028 0.00027 0.00048 0.00008 -0.00013 -0.00008 -0.00007 -0.00011 -0.00006 -0.00004 0.00036 0.00041 0.00043 0.00003 0.00003 0.00019 -0.00010 -0.00009 0.00006 -0.00035 -0.00034 -0.00019 -0.00018 -0.00005 -0.00053 0.00001 0.00014 -0.00033 0.00003 0.00016 -0.00032 -0.00005 0.00002 -0.00023 0.00006 0.00013 -0.00013 0.00001 0.00008 -0.00017 0.00022 0.00006 -0.00002 0.00013 -0.00003 -0.00011 0.00010 -0.00006 -0.00014 0.00021 0.00021 0.00013 0.00001 0.00001 -0.00007 0.00016 0.00016 0.00009 0.00021 0.00013 0.00046 -0.00001 -0.00009 0.00024 0.00008 0.00000 0.00034 0.00005 -0.00015 0.00037 0.00024 0.00004 0.00056 -0.00004 -0.00024 0.00028 0.00001 0.00015 0.00004 -0.00009 0.00005 -0.00005 0.00004 0.00018 0.00007 -0.00005 -0.00013 0.00019 -0.00017 -0.00025 0.00007 -0.00025 -0.00033 -0.00001 0.00001 0.00004 -0.00010 -0.00003 0.00001 -0.00014 -0.00015 -0.00012 -0.00026 0.00017 0.00008 0.00000 -0.00004 -0.00014 -0.00021 -0.00006 -0.00016 -0.00023 3.36793 3.36793 3.36786 3.36810 3.36777 4.11569 3.36784 3.36786 3.36780 3.36792 4.11558 3.36780 3.36775 3.36787 3.36793 4.11576 3.36784 3.36780 3.36786 3.36792 3.36793 4.11558 3.36775 3.36780 3.36787 4.11576 3.36782 3.36786 3.36796 4.11587 3.36810 3.36795 4.11578 3.36782 3.36796 4.11587 3.36795 4.11578 3.36777 4.11574 4.11569 4.11574 1.88493 1.88490 2.12455 1.88482 2.12431 1.88491 2.12447 1.88492 2.12427 2.12445 1.88496 1.88494 2.12426 1.88494 2.12452 1.88490 2.12443 1.88488 2.12446 2.12429 1.88505 1.88507 2.12421 1.88494 1.88500 2.12440 1.88496 2.12428 2.12437 2.12445 1.88494 1.88496 2.12452 1.88490 1.88488 2.12446 1.88494 2.12443 2.12429 2.12426 1.88507 1.88496 2.12446 1.88505 2.12421 1.88494 2.12428 1.88500 2.12440 2.12437 1.88507 1.88503 2.12433 1.88499 1.88502 2.12442 2.12427 1.88508 2.12425 2.12434 1.88496 1.88499 2.12431 1.88488 1.88494 2.12440 2.12443 1.88498 2.12440 2.12433 1.88502 1.88508 2.12425 1.88507 1.88504 2.12433 1.88499 2.12442 2.12427 2.12434 1.88499 1.88498 2.12440 1.88496 2.12431 1.88488 1.88494 2.12440 2.12443 2.12433 1.88495 1.88489 2.12433 1.88488 2.12451 1.88494 2.12429 1.88497 2.12438 2.12443 1.88493 1.88482 2.12431 1.88490 2.12455 1.88491 2.12446 1.88492 2.12427 2.12445 1.88494 1.88497 2.12443 1.88495 1.88488 2.12451 1.88489 2.12433 2.12429 2.12438 -1.10703 0.00010 2.58802 0.00002 1.10715 -2.58811 2.58801 -2.58804 -0.00011 1.10711 -0.00007 -2.58805 0.00003 -1.10714 2.58805 -2.58785 2.58816 0.00017 1.10718 -0.00001 -2.58797 0.00006 -1.10713 2.58809 -2.58818 2.58781 -0.00015 -1.10718 -0.00002 2.58801 -0.00003 1.10714 -2.58802 2.58791 -2.58812 -0.00009 1.10704 -0.00006 -2.58822 -0.00003 -1.10713 2.58790 -2.58789 2.58819 0.00003 -0.00002 1.10713 -2.58794 -1.10711 0.00004 2.58816 2.58801 -2.58803 0.00009 -0.00009 -1.10721 2.58795 1.10704 -0.00008 -2.58810 -2.58795 2.58811 0.00009 -1.10712 0.00010 2.58813 0.00003 1.10724 -2.58791 2.58789 -2.58808 -0.00005 1.10704 -0.00003 -2.58798 -0.00006 -1.10714 2.58810 -2.58799 2.58812 0.00017 -1.10715 0.00001 2.58797 0.00006 1.10721 -2.58801 2.58818 -2.58785 0.00011 -0.00004 1.10722 -2.58801 -1.10728 -0.00001 2.58795 2.58786 -2.58806 -0.00011 1.10712 0.00001 -2.58784 -0.00007 -1.10718 2.58815 -2.58821 2.58787 0.00002 -1.10711 -0.00003 2.58785 0.00007 1.10714 -2.58816 2.58805 -2.58805 -0.00017 -0.00004 1.10711 -2.58816 -1.10713 0.00002 2.58794 2.58803 -2.58801 -0.00009 1.10712 -0.00010 -2.58813 -0.00003 -1.10724 2.58791 -2.58789 2.58808 0.00005 0.00008 -1.10704 2.58810 1.10721 0.00009 -2.58795 -2.58811 2.58795 -0.00009 -1.10704 0.00003 2.58798 0.00006 1.10714 -2.58809 2.58799 -2.58812 -0.00017 1.10703 -0.00002 -2.58801 -0.00010 -1.10715 2.58804 -2.58802 2.58811 0.00011 0.00001 1.10728 -2.58795 -1.10722 0.00004 2.58801 2.58806 -2.58786 0.00011 1.10715 -0.00001 -2.58797 -0.00006 -1.10721 2.58801 -2.58818 2.58785 -0.00011 -1.10712 -0.00001 2.58784 0.00007 1.10718 -2.58815 2.58820 -2.58787 -0.00002 -1.10715 -0.00002 2.58804 0.00005 1.10718 -2.58795 2.58807 -2.58798 0.00007 -1.10718 -0.00006 2.58818 0.00001 1.10713 -2.58781 2.58797 -2.58809 0.00015 0.00008 1.10724 -2.58791 -1.10715 0.00001 2.58805 2.58811 -2.58791 0.00012 1.10718 0.00003 -2.58791 0.00002 -1.10714 2.58812 -2.58801 2.58802 0.00008 0.00003 -1.10714 2.58821 1.10717 -0.00000 -2.58783 -2.58796 2.58805 0.00022 1.10715 0.00002 -2.58804 -0.00005 -1.10718 2.58795 -2.58807 2.58798 -0.00007 -0.00001 1.10715 -2.58805 -1.10724 -0.00008 2.58791 2.58791 -2.58811 -0.00012 0.00000 -1.10717 2.58783 1.10714 -0.00003 -2.58821 -2.58805 2.58796 -0.00022 -1.10704 0.00003 2.58789 0.00006 1.10713 -2.58819 2.58822 -2.58790 -0.00003 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000038 0.000009 0.000707 0.000117 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.174095e-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 1 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 8 8 8 9 9 10 10 11 12 2 5 8 9 12 13 3 7 8 12 24 7 8 10 11 14 5 6 9 10 11 15 6 9 12 16 7 11 12 17 11 12 18 9 10 19 10 20 11 21 22 23 1.7824 1.7822 1.7825 1.7823 1.7823 2.1779 1.7823 1.7822 1.7824 1.7822 2.1781 1.7824 1.7824 1.7823 1.7822 2.1779 1.7821 1.7823 1.7819 1.7819 1.7821 2.1781 1.7823 1.7821 1.7825 2.178 1.7824 1.7823 1.7823 2.1779 1.7824 1.7825 2.178 1.7821 1.782 2.178 1.7819 2.1781 1.7821 2.1779 2.178 2.1778 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 2 5 5 8 8 9 9 12 1 1 1 3 3 7 7 8 8 12 2 2 2 7 7 7 8 8 10 11 5 5 5 6 6 6 9 9 10 11 1 1 1 4 4 6 6 9 9 12 4 4 4 5 5 5 7 11 11 12 2 2 2 3 3 3 6 11 11 12 1 1 1 2 2 2 3 3 9 10 1 1 1 4 4 5 5 5 8 10 3 3 3 4 4 8 8 9 9 11 3 3 3 4 4 6 6 7 7 10 1 1 1 2 2 2 5 5 6 7 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 5 9 13 8 13 12 13 12 13 13 3 7 24 12 24 8 24 12 24 24 10 11 14 8 10 14 11 14 14 14 10 11 15 9 10 15 11 15 15 15 4 6 16 12 16 9 16 12 16 16 7 12 17 7 11 17 17 12 17 17 6 11 18 6 12 18 18 12 18 18 3 10 19 9 10 19 9 19 19 19 4 10 20 8 20 8 10 20 20 20 4 9 21 8 21 11 21 11 21 21 4 6 22 7 22 10 22 10 22 22 6 7 23 5 6 23 7 23 23 23 107.9931 107.9848 121.7219 107.9899 121.7275 107.9961 121.7145 107.9988 121.724 121.7213 108.011 108.0142 121.7098 108.017 121.7078 108.0084 121.7124 108.0074 121.7099 121.7135 107.9819 107.9869 121.7227 107.998 107.996 121.7143 107.9845 121.7217 121.7314 121.7283 108.0069 108.0106 121.7057 108.0052 108.0071 121.6971 108.0074 121.7272 121.7284 121.7072 107.9994 107.9995 121.7079 107.9985 121.7366 107.9962 121.7135 108.003 121.734 121.6973 107.999 108.0011 121.7251 108.0112 107.9943 121.7158 121.7095 108.0051 121.7217 121.7091 107.9819 107.9828 121.7152 107.9916 107.9985 121.7213 121.732 107.9892 121.7418 121.7101 108.005 107.9979 121.7126 107.9934 107.9955 121.7095 108.0029 121.7074 121.7314 121.7296 108.0039 108.0083 121.7086 108.0003 121.7223 108.008 108.0081 121.7152 121.7092 121.7152 108.0064 108.0141 121.6955 108.0059 121.7247 108.0067 121.7116 108.0046 121.7271 121.7063 108.0048 108.0043 121.7127 108.0055 121.7293 107.9968 121.7034 108.0066 121.691 121.7404 107.991 108.0024 121.7069 107.9882 107.9867 121.7166 107.9963 121.7261 121.7361 121.7225 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 5 5 5 9 9 9 13 13 13 2 2 2 8 8 8 13 13 13 5 5 5 12 12 12 13 13 13 2 2 2 12 12 12 13 13 13 8 8 8 9 9 9 13 13 13 1 1 1 12 12 12 24 24 24 1 1 1 8 8 8 24 24 24 7 7 7 12 12 12 24 24 24 3 3 3 8 8 8 24 24 24 8 8 8 10 10 10 14 14 14 7 7 7 11 11 11 14 14 14 2 2 2 7 7 7 14 14 14 2 2 2 8 8 8 14 14 14 10 10 10 11 11 11 15 15 15 9 9 9 10 10 10 15 15 15 6 6 6 11 11 11 15 15 15 5 5 5 6 6 6 15 15 15 5 5 5 9 9 9 15 15 15 1 1 1 9 9 9 16 16 16 6 6 6 12 12 12 16 16 16 4 4 4 9 9 9 16 16 16 4 4 4 5 5 5 17 17 17 5 5 5 12 12 12 17 17 17 4 4 4 11 11 11 17 17 17 2 2 2 12 12 12 18 18 18 3 3 3 11 11 11 18 18 18 2 2 2 3 3 3 19 19 19 1 1 1 2 2 2 19 19 19 1 1 1 5 5 5 20 20 20 8 8 8 9 9 9 21 21 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 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 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 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 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 2 2 2 2 2 2 2 2 2 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 12 12 12 3 3 3 3 3 3 3 3 3 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 12 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 6 6 6 6 6 6 6 6 6 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 12 12 12 7 7 7 7 7 7 7 7 7 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 3 7 24 3 7 24 3 7 24 4 6 16 4 6 16 4 6 16 3 10 19 3 10 19 3 10 19 4 10 20 4 10 20 4 10 20 6 7 23 6 7 23 6 7 23 10 11 14 10 11 14 10 11 14 6 11 18 6 11 18 6 11 18 9 10 19 9 10 19 9 10 19 5 6 23 5 6 23 5 6 23 6 12 18 6 12 18 6 12 18 1 9 19 1 9 19 1 9 19 4 9 21 4 9 21 4 9 21 4 6 22 4 6 22 4 6 22 1 12 16 1 12 16 1 12 16 7 12 17 7 12 17 7 12 17 1 8 20 1 8 20 1 8 20 3 8 21 3 8 21 3 8 21 3 7 22 3 7 22 3 7 22 7 11 17 7 11 17 7 11 17 8 10 20 8 10 20 8 10 20 2 7 23 2 7 23 2 7 23 2 3 18 2 3 18 2 3 18 3 10 22 3 10 22 3 10 22 1 2 23 1 2 23 1 2 23 4 10 22 4 10 22 4 10 22 1 5 23 1 5 23 1 5 23 4 5 20 4 5 20 4 5 20 4 11 21 4 11 21 4 11 21 3 11 21 3 11 21 3 11 21 6 7 22 6 7 22 6 7 -63.4344 0.0121 148.2962 -0.0092 63.4373 -148.2786 148.2676 -148.2859 -0.0018 63.4248 -0.0126 -148.2709 -0.0036 -63.441 148.3007 -148.2793 148.2833 0.025 63.4425 0.001 -148.2944 0.0021 -63.4395 148.2652 -148.2769 148.2816 -0.0137 -63.4318 0.006 148.2838 -0.0066 63.4312 -148.291 148.2922 -148.27 0.0078 63.4326 -0.0005 -148.28 0.0087 -63.4244 148.2961 -148.2911 148.2758 -0.0037 0.0089 63.4309 -148.279 -63.4331 -0.0111 148.279 148.2791 -148.299 -0.0088 -0.007 -63.4317 148.27 63.4366 0.0119 -148.2864 -148.2901 148.2852 -0.0131 -63.4412 -0.0135 148.2727 0.0097 63.4375 -148.2763 148.2845 -148.2878 -0.0015 63.4328 0.0067 -148.2889 -0.0081 -63.4342 148.2702 -148.2815 148.2924 -0.0032 -63.4229 0.0025 148.2738 -0.0039 63.4215 -148.3072 148.2946 -148.28 -0.0088 -0.0028 63.4331 -148.2679 -63.4384 -0.0025 148.2964 148.2769 -148.2872 0.0118 63.4322 -0.0052 -148.2954 0.0087 -63.4287 148.2811 -148.2832 148.2793 -0.0109 -63.4281 0.0113 148.2653 0.0018 63.4411 -148.3049 148.284 -148.2767 -0.0227 0.0049 63.4409 -148.2884 -63.4373 -0.0013 148.2693 148.3018 -148.2621 0.0085 63.4464 0.0034 -148.2765 0.0077 -63.4353 148.2848 -148.2756 148.2813 0.0014 0.002 -63.4445 148.2812 63.4453 -0.0012 -148.2755 -148.2644 148.2891 0.0147 -63.4505 -0.0043 148.2883 -0.0102 63.436 -148.2714 148.2613 -148.2926 0.0 63.4414 -0.0002 -148.2582 -0.0004 -63.442 148.3 -148.2983 148.2601 0.0021 0.0082 63.447 -148.2746 -63.4329 0.0059 148.2843 148.2644 -148.2968 -0.0184 63.4336 -0.0023 -148.2904 0.0026 -63.4333 148.2785 -148.2715 148.2926 0.0044 -63.4228 0.0023 148.3025 0.0034 63.4286 -148.2712 148.2915 -148.2833 0.0169 -63.4325 -0.0024 148.2969 -0.0007 63.4294 -148.2714 148.2845 -148.2854 0.0139 -63.4495 -0.0072 148.2929 -0.0071 63.4352 -148.2647 148.2743 -148.2834 0.0167 -0.0075 63.4281 -148.2838 -63.4353 0.0002 148.2884 148.2785 -148.286 0.0022 63.4248 -0.0058 -148.3025 0.0016 -63.429 148.2743 -148.287 148.2823 -0.0144 -0.0012 -63.4261 148.2723 63.4224 -0.0024 -148.304 -148.2768 148.2983 -0.0033 63.4348 -0.0076 -148.2859 0.0023 -63.4401 148.2817 -148.2875 148.2701 -0.0082 0.0021 63.4425 -148.2955 -63.4305 0.0099 148.2719 148.2909 -148.2686 -0.0067 -0.0005 -63.4387 148.2777 63.4361 -0.0022 -148.2858 -148.2757 148.286 0.0024 -63.4387 -0.0025 148.2754 0.0058 63.442 -148.2801 148.2973 -148.2665 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 def2TZVPP (5D, 7F) 1140 A 972 A 972 1920 1140 181 181 7049.3336548502 24 24 24 1.00e+00 60 F 0.000000 1.782408 0.000000 2.884136 1.782332 0.000000 2.883564 3.389683 2.883663 0.000000 1.782158 2.883668 3.390255 1.782138 0.000000 2.883673 2.883486 2.883847 1.782270 1.782269 0.000000 2.884092 1.782205 1.782432 2.883851 2.884074 1.782388 0.000000 1.782494 1.782372 1.782380 2.883372 2.883679 3.389943 2.883957 0.000000 1.782304 2.883634 2.883815 1.781891 1.782096 2.883562 3.390188 1.782146 0.000000 2.883686 2.883544 1.782334 1.781925 2.883514 2.883624 2.883883 1.781985 1.781940 0.000000 3.390068 2.883532 1.782207 1.782088 2.883713 1.782326 1.782425 2.883528 2.883454 1.782101 0.000000 1.782347 1.782215 2.884090 2.883794 1.782461 1.782271 1.782533 2.883947 2.883842 3.390086 2.883913 0.000000 2.177911 3.464460 4.873114 4.872722 3.464341 4.872860 4.873161 3.464410 3.464406 4.872698 5.567979 3.464399 0.000000 4.873185 3.464394 2.177895 4.872813 5.568149 4.872968 3.464340 3.464419 4.872915 3.464541 3.464382 4.873108 6.589261 0.000000 4.872808 5.567762 4.872887 2.178078 3.464112 3.464081 4.872858 4.872766 3.464262 3.464310 3.464094 4.872821 6.589128 6.589204 0.000000 3.464092 4.872706 5.568251 3.464554 2.177996 3.464279 4.873049 4.872909 3.464474 4.872857 4.872939 3.464173 4.072208 7.746146 4.072500 0.000000 4.872717 4.872583 4.872925 3.464431 3.464275 2.177950 3.464272 5.567893 4.872672 4.872778 3.464422 3.464167 6.589057 6.589207 4.071956 4.072141 0.000000 4.873146 3.464285 3.464578 4.873255 4.873283 3.464719 2.178032 4.873127 5.568220 4.873256 3.464914 3.464478 6.589272 4.072500 6.589369 6.589292 4.072673 0.000000 3.464433 3.464277 3.464249 4.872657 4.872844 5.567913 4.872910 2.177971 3.464450 3.464285 4.872687 4.872925 4.072265 4.072206 6.589343 6.589259 7.745863 6.589080 0.000000 3.464312 4.872859 4.872981 3.464191 3.464246 4.872862 5.568278 3.464187 2.178090 3.464114 4.872703 4.873056 4.072312 6.589179 4.072536 4.072688 6.589103 7.746309 4.072442 0.000000 4.872860 4.872580 3.463990 3.464131 4.872726 4.872742 4.872789 3.463963 3.464183 2.177946 3.463973 5.568032 6.588999 4.072076 4.072609 6.589371 6.589048 6.589280 4.072228 4.072282 0.000000 5.568061 4.872594 3.464212 3.464386 4.872807 3.464156 3.464034 4.872835 4.872794 3.464582 2.177993 4.872801 7.745972 4.072429 4.072258 6.589153 4.072061 4.072454 6.589218 6.589256 4.072532 0.000000 3.464025 3.464074 4.872998 4.872907 3.464440 3.464445 3.464441 4.872780 4.872752 5.567847 4.873042 2.177761 4.072044 6.589151 6.589052 4.072046 4.072535 4.072432 6.588746 6.589069 7.745793 6.589038 0.000000 3.464398 2.178066 3.464301 5.567750 4.872903 4.872781 3.464270 3.464369 4.872803 4.872715 4.872797 3.464297 4.072375 4.072251 7.745828 6.588970 6.589008 4.072103 4.071971 6.589067 6.588763 6.588915 4.072051 0.000000 B12I12(2-) 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 1652.5856399999996 AuxInfo=1/0/N:1,2,8,12,9,5,3,7,10,6,4,11,13,24,19,23,20,16,14,18,21,17,15,22/E:(1,2,3,4,5,6,7,8,9,10,11,12)(13,14,15,16,17,18,19,20,21,22,23,24)/CRV:1.6,2.6,3.6,4.6,5.6,6.6,7.6,8.6,9.6,10.6,11.6,12.6/rA:24nB6B6B6B6B6B6B6B6B6B6B6B6IIIIIIIIIIII/rB:s1;s2;;s1s4;s4s5;s2s3s6;s1s2s3;s1s4s5s8;s3s4s8s9;s3s4s6s7s10;s1s2s5s6s7;s1;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s2;/rC:.7539,-1.3878,-.6154;-.8323,-.8387,-1.2148;-1.689,-.0511,.1351;.8323,.8388,1.2151;1.689,.0511,-.1346;.6808,1.4894,-.4372;-.8776,.9395,-1.1049;-.6807,-1.4893,.4376;.8775,-.9391,1.105;-.6319,-.1132,1.5687;-.7536,1.3878,.6158;.6322,.1132,-1.5687;1.7222,-3.1712,-1.4062;-3.859,-.1169,.3083;1.9021,1.9172,2.7761;3.859,.1169,-.3084;1.5556,3.4032,-.9992;-2.0051,2.1461,-2.5249;-1.5556,-3.4032,.9992;2.0049,-2.1462,2.5248;-1.4444,-.2586,3.5842;-1.722,3.1714,1.4062;1.4443,.2582,-3.5842;-1.902,-1.9169,-2.776; 0.0326454 0.0326448 0.0326441 1 -3872.88582401 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=111111111111111111111111 Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. CalDSu exits because no D1Ps are significant. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. There are 75 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 72 vectors produced by pass 0 Test12= 1.91D-13 1.33D-09 XBig12= 7.01D+02 5.95D+00. AX will form 72 AO Fock derivatives at one time. 72 vectors produced by pass 1 Test12= 1.91D-13 1.33D-09 XBig12= 1.34D+02 1.38D+00. 72 vectors produced by pass 2 Test12= 1.91D-13 1.33D-09 XBig12= 5.59D+00 2.34D-01. 72 vectors produced by pass 3 Test12= 1.91D-13 1.33D-09 XBig12= 2.45D-01 5.76D-02. 72 vectors produced by pass 4 Test12= 1.91D-13 1.33D-09 XBig12= 8.70D-03 1.67D-02. 72 vectors produced by pass 5 Test12= 1.91D-13 1.33D-09 XBig12= 4.59D-05 1.02D-03. 72 vectors produced by pass 6 Test12= 1.91D-13 1.33D-09 XBig12= 1.35D-07 4.02D-05. 68 vectors produced by pass 7 Test12= 1.91D-13 1.33D-09 XBig12= 4.88D-10 2.40D-06. 8 vectors produced by pass 8 Test12= 1.91D-13 1.33D-09 XBig12= 1.37D-12 2.12D-07. 3 vectors produced by pass 9 Test12= 1.91D-13 1.33D-09 XBig12= 1.15D-14 9.94D-09. 3 vectors produced by pass 10 Test12= 1.91D-13 1.33D-09 XBig12= 1.94D-13 4.60D-08. 3 vectors produced by pass 11 Test12= 1.91D-13 1.33D-09 XBig12= 1.61D-13 2.63D-08. 3 vectors produced by pass 12 Test12= 1.91D-13 1.33D-09 XBig12= 7.95D-12 3.08D-07. 3 vectors produced by pass 13 Test12= 1.91D-13 1.33D-09 XBig12= 5.37D-13 2.99D-08. 3 vectors produced by pass 14 Test12= 1.91D-13 1.33D-09 XBig12= 1.24D-12 8.39D-08. 3 vectors produced by pass 15 Test12= 1.91D-13 1.33D-09 XBig12= 1.50D-13 2.44D-08. 3 vectors produced by pass 16 Test12= 1.91D-13 1.33D-09 XBig12= 7.53D-13 5.85D-08. 3 vectors produced by pass 17 Test12= 1.91D-13 1.33D-09 XBig12= 1.16D-13 1.90D-08. 3 vectors produced by pass 18 Test12= 1.91D-13 1.33D-09 XBig12= 3.65D-13 8.29D-08. 3 vectors produced by pass 19 Test12= 1.91D-13 1.33D-09 XBig12= 2.43D-14 8.81D-09. 3 vectors produced by pass 20 Test12= 1.91D-13 1.33D-09 XBig12= 1.00D-13 1.89D-08. 3 vectors produced by pass 21 Test12= 1.91D-13 1.33D-09 XBig12= 8.53D-14 1.79D-08. 3 vectors produced by pass 22 Test12= 1.91D-13 1.33D-09 XBig12= 7.54D-14 1.95D-08. 3 vectors produced by pass 23 Test12= 1.91D-13 1.33D-09 XBig12= 6.44D-14 1.57D-08. 3 vectors produced by pass 24 Test12= 1.91D-13 1.33D-09 XBig12= 7.99D-14 1.60D-08. 3 vectors produced by pass 25 Test12= 1.91D-13 1.33D-09 XBig12= 8.55D-14 2.00D-08. 3 vectors produced by pass 26 Test12= 1.91D-13 1.33D-09 XBig12= 8.59D-14 1.54D-08. 3 vectors produced by pass 27 Test12= 1.91D-13 1.33D-09 XBig12= 7.26D-14 1.47D-08. 3 vectors produced by pass 28 Test12= 1.91D-13 1.33D-09 XBig12= 8.16D-14 1.53D-08. 3 vectors produced by pass 29 Test12= 1.91D-13 1.33D-09 XBig12= 8.15D-14 2.05D-08. 3 vectors produced by pass 30 Test12= 1.91D-13 1.33D-09 XBig12= 9.64D-14 2.11D-08. 3 vectors produced by pass 31 Test12= 1.91D-13 1.33D-09 XBig12= 4.83D-14 1.16D-08. 3 vectors produced by pass 32 Test12= 1.91D-13 1.33D-09 XBig12= 8.45D-14 1.66D-08. 3 vectors produced by pass 33 Test12= 1.91D-13 1.33D-09 XBig12= 1.66D-13 2.46D-08. 3 vectors produced by pass 34 Test12= 1.91D-13 1.33D-09 XBig12= 7.85D-14 1.56D-08. 3 vectors produced by pass 35 Test12= 1.91D-13 1.33D-09 XBig12= 9.87D-14 1.97D-08. 3 vectors produced by pass 36 Test12= 1.91D-13 1.33D-09 XBig12= 1.05D-13 1.98D-08. 3 vectors produced by pass 37 Test12= 1.91D-13 1.33D-09 XBig12= 4.36D-14 9.03D-09. 3 vectors produced by pass 38 Test12= 1.91D-13 1.33D-09 XBig12= 9.32D-14 1.67D-08. 3 vectors produced by pass 39 Test12= 1.91D-13 1.33D-09 XBig12= 6.47D-14 1.38D-08. 3 vectors produced by pass 40 Test12= 1.91D-13 1.33D-09 XBig12= 3.07D-14 1.04D-08. 3 vectors produced by pass 41 Test12= 1.91D-13 1.33D-09 XBig12= 4.22D-14 1.19D-08. 3 vectors produced by pass 42 Test12= 1.91D-13 1.33D-09 XBig12= 5.05D-14 1.53D-08. 3 vectors produced by pass 43 Test12= 1.91D-13 1.33D-09 XBig12= 6.62D-14 1.91D-08. 3 vectors produced by pass 44 Test12= 1.91D-13 1.33D-09 XBig12= 5.01D-14 1.11D-08. 3 vectors produced by pass 45 Test12= 1.91D-13 1.33D-09 XBig12= 4.86D-14 1.16D-08. 3 vectors produced by pass 46 Test12= 1.91D-13 1.33D-09 XBig12= 3.97D-14 1.09D-08. 3 vectors produced by pass 47 Test12= 1.91D-13 1.33D-09 XBig12= 1.80D-13 2.82D-08. 3 vectors produced by pass 48 Test12= 1.91D-13 1.33D-09 XBig12= 2.60D-14 7.71D-09. 3 vectors produced by pass 49 Test12= 1.91D-13 1.33D-09 XBig12= 4.15D-14 1.54D-08. 3 vectors produced by pass 50 Test12= 1.91D-13 1.33D-09 XBig12= 1.07D-13 2.04D-08. 3 vectors produced by pass 51 Test12= 1.91D-13 1.33D-09 XBig12= 5.43D-14 1.59D-08. 3 vectors produced by pass 52 Test12= 1.91D-13 1.33D-09 XBig12= 9.46D-14 1.49D-08. 3 vectors produced by pass 53 Test12= 1.91D-13 1.33D-09 XBig12= 1.30D-13 2.01D-08. 3 vectors produced by pass 54 Test12= 1.91D-13 1.33D-09 XBig12= 5.09D-14 1.36D-08. 3 vectors produced by pass 55 Test12= 1.91D-13 1.33D-09 XBig12= 8.69D-14 1.56D-08. 3 vectors produced by pass 56 Test12= 1.91D-13 1.33D-09 XBig12= 2.98D-14 1.39D-08. 3 vectors produced by pass 57 Test12= 1.91D-13 1.33D-09 XBig12= 4.94D-14 1.11D-08. 3 vectors produced by pass 58 Test12= 1.91D-13 1.33D-09 XBig12= 4.90D-14 1.26D-08. 3 vectors produced by pass 59 Test12= 1.91D-13 1.33D-09 XBig12= 2.59D-14 8.95D-09. 3 vectors produced by pass 60 Test12= 1.91D-13 1.33D-09 XBig12= 1.33D-13 2.20D-08. 3 vectors produced by pass 61 Test12= 1.91D-13 1.33D-09 XBig12= 3.62D-14 1.06D-08. 3 vectors produced by pass 62 Test12= 1.91D-13 1.33D-09 XBig12= 5.20D-14 1.37D-08. 3 vectors produced by pass 63 Test12= 1.91D-13 1.33D-09 XBig12= 6.13D-14 1.40D-08. 3 vectors produced by pass 64 Test12= 1.91D-13 1.33D-09 XBig12= 4.04D-14 1.38D-08. 3 vectors produced by pass 65 Test12= 1.91D-13 1.33D-09 XBig12= 2.41D-14 7.48D-09. 3 vectors produced by pass 66 Test12= 1.91D-13 1.33D-09 XBig12= 6.01D-14 1.41D-08. 3 vectors produced by pass 67 Test12= 1.91D-13 1.33D-09 XBig12= 3.80D-14 1.00D-08. 3 vectors produced by pass 68 Test12= 1.91D-13 1.33D-09 XBig12= 8.11D-14 1.83D-08. 3 vectors produced by pass 69 Test12= 1.91D-13 1.33D-09 XBig12= 3.25D-14 8.75D-09. 3 vectors produced by pass 70 Test12= 1.91D-13 1.33D-09 XBig12= 6.44D-14 1.41D-08. 3 vectors produced by pass 71 Test12= 1.91D-13 1.33D-09 XBig12= 1.87D-14 8.69D-09. 3 vectors produced by pass 72 Test12= 1.91D-13 1.33D-09 XBig12= 7.36D-14 1.47D-08. 3 vectors produced by pass 73 Test12= 1.91D-13 1.33D-09 XBig12= 3.78D-14 1.38D-08. 3 vectors produced by pass 74 Test12= 1.91D-13 1.33D-09 XBig12= 3.95D-14 1.32D-08. 3 vectors produced by pass 75 Test12= 1.91D-13 1.33D-09 XBig12= 4.34D-14 1.14D-08. 3 vectors produced by pass 76 Test12= 1.91D-13 1.33D-09 XBig12= 4.29D-14 1.32D-08. 3 vectors produced by pass 77 Test12= 1.91D-13 1.33D-09 XBig12= 6.49D-14 1.68D-08. 3 vectors produced by pass 78 Test12= 1.91D-13 1.33D-09 XBig12= 4.79D-14 1.22D-08. 3 vectors produced by pass 79 Test12= 1.91D-13 1.33D-09 XBig12= 4.88D-14 1.21D-08. 3 vectors produced by pass 80 Test12= 1.91D-13 1.33D-09 XBig12= 2.06D-14 6.28D-09. 3 vectors produced by pass 81 Test12= 1.91D-13 1.33D-09 XBig12= 9.50D-14 1.67D-08. 3 vectors produced by pass 82 Test12= 1.91D-13 1.33D-09 XBig12= 4.41D-14 1.08D-08. 3 vectors produced by pass 83 Test12= 1.91D-13 1.33D-09 XBig12= 3.48D-14 9.19D-09. 3 vectors produced by pass 84 Test12= 1.91D-13 1.33D-09 XBig12= 5.63D-14 1.22D-08. 3 vectors produced by pass 85 Test12= 1.91D-13 1.33D-09 XBig12= 3.61D-14 1.14D-08. 3 vectors produced by pass 86 Test12= 1.91D-13 1.33D-09 XBig12= 5.05D-14 1.81D-08. 3 vectors produced by pass 87 Test12= 1.91D-13 1.33D-09 XBig12= 5.77D-14 1.57D-08. 3 vectors produced by pass 88 Test12= 1.91D-13 1.33D-09 XBig12= 4.07D-14 1.01D-08. 3 vectors produced by pass 89 Test12= 1.91D-13 1.33D-09 XBig12= 4.77D-14 1.21D-08. 3 vectors produced by pass 90 Test12= 1.91D-13 1.33D-09 XBig12= 4.30D-14 1.02D-08. 3 vectors produced by pass 91 Test12= 1.91D-13 1.33D-09 XBig12= 4.11D-14 1.06D-08. 3 vectors produced by pass 92 Test12= 1.91D-13 1.33D-09 XBig12= 9.51D-14 1.51D-08. 3 vectors produced by pass 93 Test12= 1.91D-13 1.33D-09 XBig12= 2.19D-14 6.78D-09. 3 vectors produced by pass 94 Test12= 1.91D-13 1.33D-09 XBig12= 3.49D-14 8.84D-09. 3 vectors produced by pass 95 Test12= 1.91D-13 1.33D-09 XBig12= 3.89D-14 1.25D-08. 3 vectors produced by pass 96 Test12= 1.91D-13 1.33D-09 XBig12= 5.81D-14 1.30D-08. 3 vectors produced by pass 97 Test12= 1.91D-13 1.33D-09 XBig12= 3.40D-14 7.83D-09. 3 vectors produced by pass 98 Test12= 1.91D-13 1.33D-09 XBig12= 1.49D-13 2.14D-08. 3 vectors produced by pass 99 Test12= 1.91D-13 1.33D-09 XBig12= 2.02D-14 7.70D-09. 3 vectors produced by pass100 Test12= 1.91D-13 1.33D-09 XBig12= 1.36D-14 6.02D-09. 3 vectors produced by pass101 Test12= 1.91D-13 1.33D-09 XBig12= 3.49D-14 1.08D-08. 3 vectors produced by pass102 Test12= 1.91D-13 1.33D-09 XBig12= 2.05D-14 6.65D-09. 3 vectors produced by pass103 Test12= 1.91D-13 1.33D-09 XBig12= 4.97D-14 1.18D-08. 3 vectors produced by pass104 Test12= 1.91D-13 1.33D-09 XBig12= 2.25D-14 6.26D-09. 3 vectors produced by pass105 Test12= 1.91D-13 1.33D-09 XBig12= 6.61D-14 1.34D-08. 3 vectors produced by pass106 Test12= 1.91D-13 1.33D-09 XBig12= 2.87D-14 7.75D-09. 3 vectors produced by pass107 Test12= 1.91D-13 1.33D-09 XBig12= 4.60D-14 1.05D-08. 3 vectors produced by pass108 Test12= 1.91D-13 1.33D-09 XBig12= 2.13D-14 7.37D-09. 3 vectors produced by pass109 Test12= 1.91D-13 1.33D-09 XBig12= 1.80D-14 5.90D-09. 3 vectors produced by pass110 Test12= 1.91D-13 1.33D-09 XBig12= 5.25D-14 1.54D-08. 3 vectors produced by pass111 Test12= 1.91D-13 1.33D-09 XBig12= 2.61D-14 7.66D-09. 3 vectors produced by pass112 Test12= 1.91D-13 1.33D-09 XBig12= 3.52D-14 9.04D-09. 3 vectors produced by pass113 Test12= 1.91D-13 1.33D-09 XBig12= 2.32D-14 8.59D-09. 3 vectors produced by pass114 Test12= 1.91D-13 1.33D-09 XBig12= 5.10D-14 1.07D-08. 3 vectors produced by pass115 Test12= 1.91D-13 1.33D-09 XBig12= 4.07D-14 1.16D-08. 3 vectors produced by pass116 Test12= 1.91D-13 1.33D-09 XBig12= 5.20D-14 1.26D-08. 3 vectors produced by pass117 Test12= 1.91D-13 1.33D-09 XBig12= 1.45D-14 5.63D-09. 3 vectors produced by pass118 Test12= 1.91D-13 1.33D-09 XBig12= 6.90D-14 1.55D-08. 3 vectors produced by pass119 Test12= 1.91D-13 1.33D-09 XBig12= 4.52D-14 1.07D-08. 3 vectors produced by pass120 Test12= 1.91D-13 1.33D-09 XBig12= 5.54D-14 1.24D-08. 3 vectors produced by pass121 Test12= 1.91D-13 1.33D-09 XBig12= 2.46D-14 8.13D-09. 3 vectors produced by pass122 Test12= 1.91D-13 1.33D-09 XBig12= 7.16D-14 1.57D-08. 3 vectors produced by pass123 Test12= 1.91D-13 1.33D-09 XBig12= 4.54D-14 1.07D-08. 3 vectors produced by pass124 Test12= 1.91D-13 1.33D-09 XBig12= 6.15D-14 1.11D-08. 3 vectors produced by pass125 Test12= 1.91D-13 1.33D-09 XBig12= 3.43D-14 9.00D-09. 3 vectors produced by pass126 Test12= 1.91D-13 1.33D-09 XBig12= 1.51D-13 2.06D-08. 3 vectors produced by pass127 Test12= 1.91D-13 1.33D-09 XBig12= 2.07D-14 7.10D-09. 3 vectors produced by pass128 Test12= 1.91D-13 1.33D-09 XBig12= 6.45D-14 1.43D-08. 3 vectors produced by pass129 Test12= 1.91D-13 1.33D-09 XBig12= 5.45D-14 9.57D-09. 3 vectors produced by pass130 Test12= 1.91D-13 1.33D-09 XBig12= 1.09D-13 1.71D-08. 3 vectors produced by pass131 Test12= 1.91D-13 1.33D-09 XBig12= 4.12D-14 8.98D-09. 3 vectors produced by pass132 Test12= 1.91D-13 1.33D-09 XBig12= 8.53D-14 1.63D-08. 3 vectors produced by pass133 Test12= 1.91D-13 1.33D-09 XBig12= 1.54D-14 5.27D-09. 3 vectors produced by pass134 Test12= 1.91D-13 1.33D-09 XBig12= 9.76D-14 1.54D-08. 3 vectors produced by pass135 Test12= 1.91D-13 1.33D-09 XBig12= 4.11D-14 8.99D-09. 3 vectors produced by pass136 Test12= 1.91D-13 1.33D-09 XBig12= 4.85D-14 1.02D-08. 3 vectors produced by pass137 Test12= 1.91D-13 1.33D-09 XBig12= 5.69D-14 1.10D-08. 3 vectors produced by pass138 Test12= 1.91D-13 1.33D-09 XBig12= 4.47D-14 1.01D-08. 3 vectors produced by pass139 Test12= 1.91D-13 1.33D-09 XBig12= 3.50D-14 8.39D-09. 3 vectors produced by pass140 Test12= 1.91D-13 1.33D-09 XBig12= 5.14D-14 1.01D-08. 3 vectors produced by pass141 Test12= 1.91D-13 1.33D-09 XBig12= 3.54D-14 8.91D-09. 3 vectors produced by pass142 Test12= 1.91D-13 1.33D-09 XBig12= 7.21D-14 1.40D-08. 3 vectors produced by pass143 Test12= 1.91D-13 1.33D-09 XBig12= 3.38D-14 8.58D-09. 3 vectors produced by pass144 Test12= 1.91D-13 1.33D-09 XBig12= 4.01D-14 1.08D-08. 3 vectors produced by pass145 Test12= 1.91D-13 1.33D-09 XBig12= 8.24D-14 1.29D-08. 3 vectors produced by pass146 Test12= 1.91D-13 1.33D-09 XBig12= 2.46D-14 6.49D-09. 3 vectors produced by pass147 Test12= 1.91D-13 1.33D-09 XBig12= 2.76D-14 9.37D-09. 3 vectors produced by pass148 Test12= 1.91D-13 1.33D-09 XBig12= 7.83D-14 1.59D-08. 3 vectors produced by pass149 Test12= 1.91D-13 1.33D-09 XBig12= 2.14D-14 7.86D-09. 3 vectors produced by pass150 Test12= 1.91D-13 1.33D-09 XBig12= 1.77D-14 7.70D-09. 3 vectors produced by pass151 Test12= 1.91D-13 1.33D-09 XBig12= 2.58D-14 7.81D-09. 3 vectors produced by pass152 Test12= 1.91D-13 1.33D-09 XBig12= 5.95D-14 1.04D-08. 3 vectors produced by pass153 Test12= 1.91D-13 1.33D-09 XBig12= 3.35D-14 9.03D-09. 3 vectors produced by pass154 Test12= 1.91D-13 1.33D-09 XBig12= 6.48D-14 1.09D-08. 2 vectors produced by pass155 Test12= 1.91D-13 1.33D-09 XBig12= 1.51D-14 5.39D-09. InvSVY: IOpt=1 It= 1 EMax= 3.55D-14 Solved reduced A of dimension 1020 with 75 vectors. Isotropic polarizability for W= 0.000000 532.11 Bohr**3. End of Minotr F.D. properties file 721 does not exist. PT826332.800S 2022-10-21T07:11:59.000 -6.63662 -6.63662 -6.63662 -6.63661 -6.63661 -6.63660 -6.63660 -6.63660 -6.63660 -6.63660 -6.63660 -6.63658 -6.60356 -6.60325 -6.60324 -6.60323 -6.60286 -6.60286 -6.60285 -6.60284 -6.60283 -6.60270 -6.60269 -6.60268 -4.65896 -4.65896 -4.65896 -4.65895 -4.65895 -4.65895 -4.65895 -4.65894 -4.65894 -4.65894 -4.65894 -4.65893 -4.65039 -4.65039 -4.65039 -4.65039 -4.65039 -4.65039 -4.65038 -4.65038 -4.65038 -4.65038 -4.65037 -4.65037 -4.65037 -4.65037 -4.65037 -4.65037 -4.65037 -4.65037 -4.65037 -4.65037 -4.65037 -4.65037 -4.65035 -4.65035 -1.70756 -1.70755 -1.70755 -1.70755 -1.70754 -1.70754 -1.70754 -1.70754 -1.70754 -1.70754 -1.70753 -1.70752 -1.70449 -1.70449 -1.70449 -1.70449 -1.70449 -1.70448 -1.70448 -1.70448 -1.70448 -1.70447 -1.70447 -1.70447 -1.70447 -1.70447 -1.70447 -1.70446 -1.70446 -1.70446 -1.70446 -1.70446 -1.70446 -1.70445 -1.70445 -1.70445 -1.69701 -1.69701 -1.69701 -1.69701 -1.69701 -1.69700 -1.69700 -1.69700 -1.69700 -1.69700 -1.69700 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0.32572 0.32573 0.32574 0.32575 0.34241 0.34242 0.34244 0.34424 0.34451 0.34452 0.34452 0.34453 0.35570 0.35571 0.35571 0.37131 0.37132 0.37133 0.37755 0.37755 0.37756 0.37756 0.38487 0.38487 0.38487 0.38488 0.38488 0.39201 0.39202 0.39203 0.39203 0.39271 0.39271 0.39271 0.39272 0.39273 0.40579 0.40579 0.40580 0.40581 0.40584 0.45496 0.45497 0.45499 0.45501 0.45501 0.47533 0.47534 0.47535 0.47535 0.47536 0.48916 0.48918 0.48920 0.49770 0.49771 0.49772 0.52341 0.52341 0.52342 0.53384 0.53585 0.53586 0.53589 0.53746 0.53746 0.53747 0.53748 0.53846 0.53849 0.53850 0.58165 0.58165 0.58166 0.58167 0.58168 0.59382 0.59384 0.59385 0.60240 0.60240 0.60240 0.60241 0.64835 0.64835 0.64836 0.64837 0.64838 0.65514 0.66141 0.66142 0.66143 0.66144 0.66145 0.66176 0.66177 0.66178 0.68230 0.68232 0.68234 0.71112 0.71112 0.71112 0.71113 0.71114 0.71562 0.71563 0.71564 0.71566 0.72413 0.72414 0.72415 0.72813 0.72814 0.72815 0.72946 0.72947 0.72948 0.72948 0.75269 0.75270 0.75271 0.75758 0.75760 0.75761 0.75761 0.75762 0.76424 0.76424 0.76425 0.76426 0.79278 0.79279 0.79280 0.79281 0.79281 0.84442 0.84442 0.84443 0.84970 0.84971 0.84972 0.85237 0.85238 0.85239 0.85239 0.86260 0.90568 0.90569 0.90569 0.90570 0.90570 0.91000 0.91001 0.91002 0.91003 0.91003 0.91409 0.91410 0.91411 0.95183 0.95185 0.95186 0.95187 0.96566 0.96849 0.96849 0.96850 0.96851 0.96852 0.97099 0.97101 0.97101 0.97112 0.97114 0.97116 0.99143 0.99144 0.99144 1.00224 1.00224 1.00225 1.00226 1.00226 1.01010 1.01010 1.01011 1.01012 1.01102 1.01102 1.01104 1.02406 1.02407 1.02407 1.02408 1.02408 1.05993 1.05994 1.05995 1.06364 1.06365 1.06366 1.07844 1.07844 1.07845 1.07845 1.07854 1.07854 1.07855 1.07855 1.07914 1.07915 1.07915 1.09858 1.09858 1.09861 1.09862 1.09864 1.13759 1.13762 1.13765 1.14910 1.14911 1.14913 1.15116 1.15117 1.15118 1.15119 1.15120 1.15210 1.15210 1.15211 1.15211 1.15212 1.16943 1.16944 1.16945 1.16946 1.20204 1.20205 1.20207 1.20208 1.23934 1.23934 1.23938 1.24485 1.24987 1.24989 1.24991 1.24991 1.24992 1.26287 1.26289 1.26290 1.28139 1.28140 1.28141 1.28143 1.28145 1.31019 1.31021 1.31022 1.31023 1.31024 1.33780 1.33783 1.33784 1.33785 1.34522 1.36486 1.36488 1.36491 1.39332 1.39335 1.39337 1.39337 1.43949 1.43953 1.43958 1.45847 1.45848 1.45849 1.45851 1.45854 1.47189 1.47190 1.47190 1.47192 1.47195 1.48527 1.48530 1.48531 1.51396 1.51399 1.51399 1.51400 1.52659 1.52660 1.52660 1.52661 1.52663 1.54851 1.54852 1.54853 1.55027 1.55028 1.55030 1.55031 1.59643 1.59644 1.59646 1.59648 1.59650 1.59883 1.59884 1.59885 1.60313 1.60314 1.60315 1.64614 1.64616 1.64618 1.67069 1.68086 1.68087 1.68089 1.68089 1.68092 1.68346 1.68349 1.68353 1.70264 1.70267 1.70268 1.70273 1.71737 1.71738 1.71739 1.71740 1.74320 1.74322 1.74324 1.74326 1.74327 1.74609 1.74613 1.74615 1.75340 1.75342 1.75343 1.75345 1.75670 1.75672 1.75673 1.78630 1.78630 1.78632 1.78634 1.78635 1.79649 1.79649 1.79651 1.80505 1.80505 1.80506 1.80581 1.80582 1.80584 1.80586 1.80587 1.82460 1.82465 1.82467 1.82469 1.86064 1.86068 1.86069 1.88038 1.88047 1.88048 1.88051 1.88057 1.88756 1.88757 1.88758 1.88758 1.88760 1.90448 1.90449 1.90452 1.90453 1.90578 1.90579 1.90582 1.91862 1.91863 1.91866 1.91868 1.91869 1.91905 1.91906 1.91909 1.92748 1.92749 1.92752 1.92757 1.97756 2.01738 2.01740 2.01744 2.03974 2.03976 2.03976 2.03979 2.03981 2.05190 2.05193 2.05195 2.05196 2.05646 2.05647 2.05651 2.05654 2.05657 2.06411 2.06418 2.06419 2.06421 2.17796 2.17798 2.17800 2.17802 2.17807 2.20100 2.20100 2.20103 2.20106 2.25761 2.25763 2.25766 2.32795 2.32797 2.32799 2.32803 2.32804 2.36333 2.36791 2.36797 2.36798 2.43258 2.43260 2.43264 2.44651 2.44652 2.44656 2.45961 2.45964 2.45965 2.47301 2.47306 2.47307 2.47310 2.54870 2.54876 2.54880 2.54882 2.54886 2.57941 2.57944 2.57945 2.62619 2.62621 2.62623 2.62626 2.62629 2.64134 2.64137 2.64141 2.71709 2.71711 2.71718 2.71719 2.76620 2.78642 2.78644 2.78647 2.78648 2.78652 2.83384 2.83387 2.83392 2.85395 2.85400 2.85406 2.85406 2.85409 2.87915 2.87922 2.87922 2.87925 2.89817 2.89820 2.89823 2.89826 2.95811 2.95815 2.95822 3.01976 3.01977 3.01983 3.01986 3.01990 3.02647 3.03658 3.03661 3.03664 3.03667 3.08809 3.08816 3.08818 3.15791 3.15796 3.15803 3.16690 3.16691 3.16693 3.16698 3.16699 3.17611 3.17615 3.17617 3.22022 3.22027 3.22031 3.22033 3.22036 3.26141 3.26141 3.26142 3.26142 3.26217 3.26217 3.26218 3.26218 3.27721 3.27726 3.27731 3.27995 3.27997 3.27999 3.28360 3.28364 3.28369 3.29631 3.29634 3.29635 3.29637 3.29639 3.30676 3.30676 3.30677 3.30678 3.30678 3.33786 3.33787 3.33790 3.33795 3.34647 3.34648 3.34650 3.34654 3.34658 3.34756 3.34757 3.34758 3.34761 3.36069 3.36072 3.36076 3.39590 3.39593 3.39596 3.42460 3.42461 3.42466 3.42470 3.42471 3.42809 3.42810 3.42812 3.42820 3.43312 3.43314 3.43315 3.43316 3.43317 3.44280 3.44280 3.44282 3.44285 3.44288 3.44298 3.44301 3.44302 3.49449 3.49451 3.49453 3.49454 3.49458 3.53341 3.53343 3.53344 3.53347 3.56628 3.56630 3.56631 3.60967 3.60967 3.60969 3.61084 3.61092 3.61094 3.61104 3.63495 3.63496 3.63498 3.63502 3.63504 3.64125 3.64130 3.64132 3.64133 3.65207 3.72554 3.72556 3.72561 3.74804 3.74805 3.74807 3.74809 3.74811 3.76125 3.76126 3.76129 3.81631 3.81633 3.81642 3.83232 3.83236 3.83247 3.84632 3.84633 3.84642 3.84645 3.84649 3.96144 3.96145 3.96154 3.96162 3.96164 4.03288 4.03300 4.03305 4.11271 4.11273 4.11282 4.80122 4.89700 4.89708 4.89711 4.92019 4.92026 4.92027 4.92030 4.92036 5.07687 5.07689 5.07700 14.86472 14.86478 14.86480 14.86490 14.86506 14.90877 14.90882 14.90893 14.96683 14.96686 14.96699 15.04508 34.80927 34.80929 34.80931 34.80932 34.85072 34.85074 34.85075 34.85077 34.85081 34.88034 34.88035 34.88037 34.88038 34.88039 34.89338 34.89340 34.89340 34.90835 34.90837 34.90842 34.90842 34.99217 34.99218 34.99218 35.07784 35.07786 35.07791 35.11695 35.12865 35.12871 35.12873 35.16810 35.16810 35.16815 35.16818 35.16826 43.23835 43.28584 43.28589 43.28590 43.29601 43.29605 43.29607 43.29608 43.29613 43.33641 43.33645 43.33650 118.08781 118.10013 118.10014 118.10015 118.10239 118.10240 118.10241 118.10242 118.10243 118.11288 118.11289 118.11290 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 B B B B B B B B B B B B I I I I I I I I I I I I 0.019395 0.019354 0.019082 0.019145 0.019111 0.018547 0.019435 0.018627 0.019165 0.018787 0.019294 0.018852 -0.185689 -0.185671 -0.185849 -0.185751 -0.185725 -0.185687 -0.185712 -0.185774 -0.185720 -0.185772 -0.185590 -0.185853 -2.00000 Mulliken charges with hydrogens summed into heavy atoms: 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 B B B B B B B B B B B B I I I I I I I I I I I I 0.019395 0.019354 0.019082 0.019145 0.019111 0.018547 0.019435 0.018627 0.019165 0.018787 0.019294 0.018852 -0.185689 -0.185671 -0.185849 -0.185751 -0.185725 -0.185687 -0.185712 -0.185774 -0.185720 -0.185772 -0.185590 -0.185853 -2.00000 532.122 -0.003 532.111 -0.002 -0.014 532.088 979.204 -0.002 979.193 0.001 0.001 979.166 -1.3583 -0.3587 -0.0007 -0.0005 0.0005 1.3660 54.4997 54.5208 54.5475 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 54.4997 54.5208 54.5475 54.5558 54.5626 62.6530 62.6882 62.7175 62.7259 70.9425 70.9577 70.9723 70.9830 71.0101 74.4140 74.4216 74.4240 74.4541 84.4759 84.5314 84.5606 141.7383 141.7751 141.8140 141.8304 141.8467 143.3585 149.8049 149.8487 149.9030 363.7090 363.9225 364.1195 374.9719 375.1265 375.2237 553.4267 553.5514 553.8037 553.9125 553.9527 647.9052 648.0707 648.2616 648.3871 648.5517 712.7857 712.8121 713.0339 713.1378 763.2999 763.4327 763.6741 763.7276 831.2674 831.7807 832.1277 894.0862 894.6206 894.6974 895.0364 895.3718 912.1557 931.0515 931.4514 931.9204 125.6403 125.6435 125.6411 125.6368 125.6350 126.5836 126.5827 126.5818 126.5820 126.7912 126.7920 126.7921 126.7919 126.7925 126.8962 126.8959 126.8961 126.8959 73.7106 73.6857 73.6851 109.6165 109.5268 109.5192 109.5016 109.5065 115.7677 118.1464 118.0976 118.0996 11.1761 11.1761 11.1761 12.6819 12.6818 12.6823 11.0189 11.0189 11.0189 11.0189 11.0189 11.1360 11.1360 11.1362 11.1359 11.1359 11.0117 11.0117 11.0117 11.0117 11.0093 11.0093 11.0093 11.0093 11.0810 11.0806 11.0808 11.0364 11.0365 11.0362 11.0364 11.0364 11.1018 11.0495 11.0497 11.0496 0.2199 0.2200 0.2203 0.2203 0.2204 0.2928 0.2931 0.2934 0.2934 0.3760 0.3761 0.3763 0.3764 0.3767 0.4140 0.4141 0.4141 0.4145 0.3099 0.3102 0.3104 1.2975 1.2971 1.2977 1.2978 1.2982 1.4018 1.5621 1.5624 1.5636 0.8711 0.8721 0.8730 1.0506 1.0514 1.0520 1.9884 1.9893 1.9911 1.9919 1.9922 2.7542 2.7557 2.7573 2.7583 2.7597 3.2963 3.2965 3.2986 3.2995 3.7792 3.7805 3.7829 3.7835 4.5114 4.5168 4.5207 5.1980 5.2043 5.2050 5.2090 5.2130 5.4423 5.6434 5.6483 5.6540 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.8623 0.8609 0.8591 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 16.3971 16.3573 16.3434 0.0001 0.0001 0.0001 0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0004 0.0007 0.0004 0.0004 0.0036 0.0009 0.0019 0.0004 0.0014 0.0016 0.0004 0.0021 0.0091 176.4032 176.5654 176.4759 -0.00 -0.00 -0.00 0.02 0.01 -0.02 0.00 -0.01 0.03 0.02 0.01 -0.02 0.00 -0.01 0.03 -0.02 0.01 -0.02 -0.03 -0.02 0.00 -0.02 0.01 -0.02 -0.03 -0.02 0.00 0.03 0.02 0.01 -0.00 -0.00 -0.00 0.03 0.02 0.01 -0.05 -0.01 -0.03 0.02 -0.12 0.26 0.17 0.13 -0.21 0.02 -0.12 0.26 -0.22 0.05 -0.16 -0.24 -0.21 0.01 -0.22 0.05 -0.16 -0.24 -0.21 0.01 0.31 0.16 0.14 -0.05 -0.01 -0.03 0.31 0.16 0.14 0.17 0.13 -0.21 0.03 0.03 -0.02 -0.01 -0.02 0.02 0.00 0.02 0.02 -0.01 -0.02 0.02 0.00 0.02 0.02 0.01 -0.01 -0.02 -0.02 -0.02 -0.00 0.01 -0.01 -0.02 -0.02 -0.02 -0.00 -0.02 0.00 -0.01 0.03 0.03 -0.02 -0.02 0.00 -0.01 0.34 0.25 -0.15 0.01 0.17 0.23 -0.07 -0.18 0.17 0.01 0.17 0.23 0.08 -0.08 -0.17 -0.20 -0.19 -0.01 0.07 -0.08 -0.17 -0.20 -0.19 -0.01 -0.16 0.03 -0.06 0.34 0.25 -0.15 -0.16 0.03 -0.06 -0.07 -0.18 0.17 0.02 -0.00 0.04 0.03 -0.02 -0.01 -0.00 0.02 -0.02 0.03 -0.02 -0.01 -0.00 0.02 -0.02 -0.03 0.01 -0.01 -0.01 -0.00 0.01 -0.03 0.01 -0.01 -0.01 -0.00 0.01 -0.01 -0.01 -0.00 0.02 -0.00 0.04 -0.01 -0.01 -0.00 0.20 -0.05 0.36 -0.02 0.20 -0.24 0.28 -0.17 -0.07 -0.02 0.20 -0.24 -0.27 0.10 -0.08 -0.10 -0.01 0.07 -0.27 0.10 -0.08 -0.10 -0.01 0.07 -0.08 -0.07 -0.04 0.20 -0.05 0.36 -0.08 -0.07 -0.04 0.28 -0.17 -0.07 -0.01 0.00 -0.02 0.02 -0.03 0.01 -0.00 -0.01 -0.02 0.02 -0.03 0.01 -0.00 -0.01 -0.02 -0.00 0.01 0.04 -0.00 -0.02 -0.01 -0.00 0.01 0.04 -0.00 -0.02 -0.01 -0.00 0.04 0.00 -0.01 0.00 -0.02 -0.00 0.04 0.00 -0.06 0.04 -0.16 -0.01 -0.07 -0.16 0.16 -0.28 0.08 -0.01 -0.07 -0.16 -0.03 0.12 0.36 -0.02 -0.17 -0.13 -0.03 0.12 0.36 -0.02 -0.17 -0.13 -0.03 0.36 0.01 -0.06 0.04 -0.16 -0.03 0.36 0.01 0.16 -0.28 0.08 -0.01 -0.00 -0.00 -0.01 -0.01 0.01 -0.00 0.04 0.01 -0.01 -0.01 0.01 -0.00 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