Gaussian 16 GINC-PAUL05 MR11XIBY Title AS64L-G16RevC.02 21-Apr-2025 Gaussian 16 7-Dec-2021 AS64L-G16RevC.02 32 32 168 169 1063 (5D, 7F) def2TZVPP 90 90 C1[X(C5H7B10I10)] C1[X(C5H7B10I10)] UM062X def2TZVPP FOpt # opt freq=noraman m062x/def2tzvpp pop=npa empiricaldispersion=gd3 scf=(maxconventionalcycles=150,xqc) guess=mix 1437.2082 0 2 AuxInfo=1/0/N:26,24,22,32,20,2,4,8,1,7,5,9,10,3,6,13,17,11,16,14,18,19,12,15;29/E:(7,8)(9,10)(11,12)(13,14)(16,17)(18,19)(20,21)(22,23);/CRV:1.3,2.3,4.6,5.6,6.6,7.6,8.6,9.6,10.6,11.6,12.6,13.6,14.6,15.6;/rA:32nB6B6B6B6B6B6B6B6B6B6IIIIIIIIIC6HCHC3HC3HHI0HHC6/rB:s1;s2;s1;s4;s2s3s5;s1s2s3;s3s7;s3s5s6s8;s1s2s4s5s6;s1;s3;s4;s5;s6;s7;s8;s9;s10;s4s5s8s9;s20;s2;s22;s22;s24;s24;s26;s26;;s22;;s1s4s7s8s20s31;/rC:.0603,-1.5106,.3221;1.0787,-.1042,-.1451;.0721,.9293,-1.2044;-1.3228,-.9227,1.2628;-1.1979,.8487,1.3774;.2673,1.3617,.5103;-.061,-.8422,-1.3212;-1.5218,.161,-1.4039;-1.3225,1.5183,-.2712;.2717,-.1505,1.4503;.8949,-3.4583,.7056;.9488,2.1095,-2.777;-2.3467,-2.0352,2.7841;-2.0855,1.8793,3.0369;1.2629,3.1624,1.1646;.6185,-1.9326,-3.0496;-2.7858,.3639,-3.1249;-2.3614,3.3642,-.6135;1.4052,-.3506,3.2708;-2.1552,.101,.1801;-3.2284,.1722,.2888;2.6532,-.3185,-.3664;2.9163,-1.2463,.1531;3.5494,.7647,.1171;3.5812,.9292,1.1896;4.3086,1.5321,-.6779;4.9056,2.3382,-.2741;4.2751,1.4211,-1.7546;6.5121,-.4157,-.268;2.8267,-.488,-1.4318;-2.2306,-2.2434,-.7669;-1.527,-1.3486,-.4559; /software/all/Gaussian/g16.C02/bin/g16 /software/all/Gaussian/g16.C02/bin/l1.exe "/work/mr11xiby-G16-13356238/Gau-252829.inp" -scrdir="/work/mr11xiby-G16-13356238/" Mem=153GB CPU=3-62 Chk=/home/sc.uni-leipzig.de/mr11xiby/g16/chk/H2C2B10I9_Allyliodid_DB_M06.chk # opt freq=noraman m062x/def2tzvpp pop=npa empiricaldispersion=gd3 scf 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=-55,124=31/1,2,3 4/13=-1/1 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=-55,124=31/1,2,3 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 Add virtual bond connecting atoms I29 and C26 Dist= 5.61D+00. Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 1 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 5 5 5 5 5 6 6 6 7 7 7 8 8 8 8 9 9 10 20 20 22 22 22 24 24 26 26 26 31 2 4 7 10 11 32 3 6 7 10 22 6 7 8 9 12 5 10 13 20 32 6 9 10 14 20 9 10 15 8 16 32 9 17 20 32 18 20 19 21 32 23 24 30 25 26 27 28 29 32 1.7981 1.773 1.7782 1.7797 2.1534 1.7751 1.7898 1.7991 1.7963 1.7884 1.6043 1.7791 1.7803 1.7806 1.7783 2.1528 1.7795 1.7815 2.1449 1.7068 1.7825 1.7781 1.7838 1.7786 2.1457 1.7055 1.7784 1.7805 2.1591 1.774 2.1536 1.776 1.779 2.1449 1.707 1.7825 2.1457 1.7047 2.1538 1.0811 1.703 1.0954 1.4867 1.0927 1.0855 1.3406 1.0813 1.083 2.9694 1.18 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 2 2 2 4 4 7 7 10 10 11 1 1 1 3 3 6 6 7 7 10 2 2 2 6 6 6 7 7 8 9 1 1 1 5 5 10 10 10 13 13 4 4 4 6 6 9 9 10 10 14 2 2 2 3 3 3 5 9 9 10 1 1 1 2 2 2 3 3 8 16 3 3 3 7 7 7 9 9 17 17 3 3 3 5 5 6 6 6 8 18 1 1 1 2 2 2 4 4 5 6 4 4 4 5 5 5 8 9 9 21 2 2 2 23 23 24 22 22 25 24 24 24 27 27 28 1 1 1 4 4 4 7 7 8 20 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 20 20 20 20 20 20 20 20 20 20 22 22 22 22 22 22 24 24 24 26 26 26 26 26 26 32 32 32 32 32 32 32 32 32 32 4 11 32 7 11 10 11 11 32 32 3 6 22 10 22 7 22 10 22 22 8 9 12 7 8 12 9 12 12 12 5 13 20 13 32 13 20 32 20 32 6 9 14 14 20 10 14 14 20 20 5 9 15 5 10 15 15 10 15 15 3 8 16 8 16 32 16 32 16 32 17 20 32 9 17 20 17 32 20 32 5 18 20 8 18 8 18 20 18 20 5 6 19 4 5 19 6 19 19 19 8 9 21 8 21 32 21 21 32 32 23 24 30 24 30 30 25 26 26 27 28 29 28 29 29 8 20 31 7 8 31 20 31 31 31 108.6797 122.2894 108.7346 108.2091 120.5132 107.8576 122.0766 122.1583 108.3177 120.477 106.6698 106.6917 119.1564 106.8057 123.1895 106.6841 126.9914 106.6877 118.5192 124.224 108.6996 108.7691 121.3237 108.2597 108.1236 121.7429 107.7834 121.8704 121.2798 121.4019 108.0286 125.2224 104.0475 120.277 107.9352 125.2729 104.0804 107.9129 121.8834 120.3503 108.279 108.0177 119.9246 125.4119 104.2818 107.8486 120.3717 125.4464 104.2556 121.4181 108.3122 108.3511 125.5873 108.0258 107.6158 123.0472 118.2183 108.0017 118.1587 123.1755 107.956 108.168 121.9908 108.7021 122.229 108.7736 122.204 108.2668 120.5799 120.4676 125.2101 104.0823 107.9638 108.0294 125.1766 104.0294 120.3117 107.9315 121.9555 120.3374 107.8077 125.5197 104.2751 108.0483 120.2785 108.2256 125.3612 104.3032 120.0369 121.3984 107.7699 108.3066 121.8251 108.7364 108.7667 121.2601 108.08 121.3103 121.4445 121.7641 115.3903 115.3667 117.3822 115.3233 117.2431 115.3596 117.3425 117.1784 115.3801 117.3739 106.4664 116.7086 108.1233 108.5462 107.0309 109.5337 116.6992 124.4447 118.8558 121.1921 120.8919 87.8711 117.6957 91.5897 95.3376 107.9251 104.1131 125.4087 107.8835 108.0666 120.2404 104.1066 125.4471 120.2512 121.6 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 4 4 4 11 11 11 32 32 32 2 2 2 7 7 7 11 11 11 4 4 4 10 10 10 11 11 11 7 7 7 11 11 11 32 32 32 2 2 2 10 10 10 11 11 11 1 1 1 10 10 10 22 22 22 1 1 1 7 7 7 22 22 22 6 6 6 10 10 10 22 22 22 3 3 3 7 7 7 22 22 22 1 1 1 3 3 3 6 6 6 7 7 7 10 10 10 7 7 7 8 8 8 12 12 12 6 6 6 9 9 9 12 12 12 2 2 2 6 6 6 12 12 12 2 2 2 7 7 7 12 12 12 1 1 1 13 13 13 32 32 32 13 13 13 20 20 20 32 32 32 1 1 1 10 10 10 13 13 13 5 5 5 10 10 10 13 13 13 4 4 4 14 14 14 20 20 20 4 4 4 10 10 10 14 14 14 9 9 9 14 14 14 20 20 20 6 6 6 10 10 10 14 14 14 2 2 2 10 10 10 15 15 15 3 3 3 9 9 9 15 15 15 1 1 1 2 2 2 16 16 16 2 2 2 3 3 3 16 16 16 7 7 7 17 17 17 32 32 32 3 3 3 7 7 7 17 17 17 3 3 3 9 9 9 17 17 17 3 3 3 6 6 6 18 18 18 5 5 5 9 9 9 21 21 21 2 2 23 23 30 30 22 22 22 25 25 25 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 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 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 20 20 20 20 20 20 20 20 20 22 22 22 22 22 22 24 24 24 24 24 24 2 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 32 32 32 32 32 32 32 32 32 3 3 3 3 3 3 3 3 3 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 5 5 5 5 5 5 5 5 5 10 10 10 10 10 10 10 10 10 20 20 20 20 20 20 20 20 20 32 32 32 32 32 32 32 32 32 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 20 20 20 20 20 20 20 20 20 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 8 8 8 8 8 8 8 8 8 32 32 32 32 32 32 32 32 32 9 9 9 9 9 9 9 9 9 20 20 20 20 20 20 20 20 20 32 32 32 32 32 32 32 32 32 20 20 20 20 20 20 20 20 20 32 32 32 32 32 32 32 32 32 24 24 24 24 24 24 26 26 26 26 26 26 3 6 22 3 6 22 3 6 22 5 13 20 5 13 20 5 13 20 3 8 16 3 8 16 3 8 16 5 6 19 5 6 19 5 6 19 8 20 31 8 20 31 8 20 31 8 9 12 8 9 12 8 9 12 5 9 15 5 9 15 5 9 15 8 16 32 8 16 32 8 16 32 4 5 19 4 5 19 4 5 19 23 24 30 23 24 30 23 24 30 23 24 30 23 24 30 5 10 15 5 10 15 5 10 15 1 16 32 1 16 32 1 16 32 17 20 32 17 20 32 17 20 32 5 18 20 5 18 20 5 18 20 6 9 14 6 9 14 6 9 14 2 6 19 2 6 19 2 6 19 8 9 21 8 9 21 8 9 21 7 8 31 7 8 31 7 8 31 2 3 15 2 3 15 2 3 15 3 8 18 3 8 18 3 8 18 1 2 19 1 2 19 1 2 19 8 21 32 8 21 32 8 21 32 8 18 20 8 18 20 8 18 20 1 4 19 1 4 19 1 4 19 9 17 20 9 17 20 9 17 20 4 20 31 4 20 31 4 20 31 5 6 18 5 6 18 5 6 18 4 5 21 4 5 21 4 5 21 1 4 31 1 4 31 1 4 31 4 21 32 4 21 32 4 21 32 1 7 31 1 7 31 1 7 31 25 26 25 26 25 26 27 28 29 27 28 29 -63.2821 -0.9537 151.4941 148.7605 -148.9111 3.5367 0.7813 63.1097 -144.4424 0.6935 -150.8075 61.7184 -63.2434 145.2556 -2.2185 149.3208 -2.1802 -149.6543 63.5289 -0.0693 -146.82 -0.1226 -63.7208 149.5285 -149.6495 146.7523 0.0016 63.8812 0.4926 -148.5923 -146.6222 149.9892 0.9043 0.4365 -62.9521 147.963 -0.4169 -61.508 151.1782 63.2083 2.1172 -145.1965 -149.0784 149.8306 2.5168 -0.8525 62.8672 -148.8115 -63.2723 0.4474 148.7688 142.6205 -153.6598 -5.3384 0.8548 -62.936 148.987 63.0433 -0.7475 -148.8245 -148.7648 147.4444 -0.6326 0.9043 148.9364 -63.1354 63.3164 -148.6514 -0.7233 -150.4673 -2.4351 145.4931 63.2372 -0.4842 -148.7833 0.7857 -62.9357 148.7652 -142.9932 153.2854 4.9864 -19.8515 -141.1839 94.863 -159.0897 79.5779 -44.3752 126.4573 5.1249 -118.8281 -88.6151 150.0524 26.0994 51.2803 -70.0521 165.9948 -62.7393 0.5952 153.6587 0.5166 63.8512 -143.0854 148.1783 -148.4872 4.5762 -0.2936 -149.8663 63.1061 -63.722 146.7054 -0.3222 148.7414 -0.8312 -147.8588 -150.874 61.468 0.6086 144.9424 -2.7156 -63.575 -2.8983 -150.5563 148.5843 -0.2435 151.3915 -61.2448 63.7451 -144.6199 2.7438 -148.5354 3.0997 150.4633 -0.1541 63.2392 -153.5652 153.0154 -143.5913 -0.3956 -63.4764 -0.0831 143.1125 150.974 -144.8446 3.0136 -61.416 2.7654 150.6236 -0.5574 63.624 -148.5179 4.0216 -66.4795 148.9471 66.1724 -4.3287 -148.9021 -144.8278 144.6711 0.0977 63.4315 0.2173 -143.2535 0.1021 -63.1121 153.4171 -153.0921 143.6937 0.2229 -0.4426 63.0844 -151.2817 151.1352 -145.3378 0.2961 -61.6206 1.9064 147.5402 -63.5651 -0.0828 143.0351 -0.0591 63.4232 -153.4589 153.4342 -143.0835 0.0344 -63.7551 0.34 148.5696 144.4517 -151.4532 -3.2236 -2.8021 61.293 -150.4774 -3.9568 -148.5615 66.7172 -66.159 149.2363 4.515 144.9302 0.3254 -144.3958 0.3165 -151.3112 61.5272 -63.1304 145.242 -1.9197 151.1238 -0.5038 -147.6655 -0.6718 -63.8817 148.4357 62.6696 -0.5403 -148.2229 -153.6926 143.0974 -4.5852 63.319 -145.1881 2.3267 -0.7212 150.7717 -61.7135 -149.3741 2.1187 149.6336 0.3893 61.4663 -151.1704 -63.3141 -2.2371 145.1262 148.9812 -149.9417 -2.5784 -63.1215 0.2487 153.6554 143.7433 -152.8866 0.5202 0.2169 63.587 -143.0062 -66.2298 4.2621 148.8303 -4.0628 66.429 -149.0027 144.7786 -144.7295 -0.1613 -0.1165 63.0863 -153.4476 -63.4712 -0.2684 143.1977 153.0136 -143.7837 -0.3176 66.1619 -149.19 -4.5368 4.0095 148.6575 -66.6892 -144.7856 -0.1375 144.5157 -4.2427 -66.4121 144.6411 66.5023 4.3328 -144.614 -148.9161 148.9144 -0.0324 65.5909 -114.6178 -54.6401 125.1512 -171.1802 8.6112 176.9726 2.4896 -92.4575 -3.2402 -177.7232 87.3297 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate 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D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 1235 A 1063 A 1974 1235 6081.3633630258 32 1.00e+00 60 F Berny optimization. local minimum Step number 20 out of a maximum of 192 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00237 0.00463 0.00746 0.00994 0.01495 0.01965 0.02374 0.02595 0.02912 0.02999 0.03113 0.03176 0.03247 0.03272 0.03352 0.03383 0.03548 0.03612 0.03715 0.03869 0.03917 0.03938 0.04172 0.04225 0.04249 0.04372 0.04437 0.04481 0.04576 0.04596 0.04660 0.04732 0.04809 0.04842 0.04934 0.05191 0.05245 0.05471 0.05525 0.05656 0.05902 0.06103 0.07053 0.08319 0.08988 0.09628 0.09980 0.10155 0.10174 0.10602 0.10701 0.10895 0.11111 0.11381 0.11618 0.11922 0.12285 0.12326 0.12329 0.12438 0.12502 0.12554 0.12574 0.12631 0.12983 0.13220 0.14463 0.14711 0.14965 0.15009 0.15184 0.15272 0.15343 0.15499 0.15924 0.15998 0.16004 0.16963 0.22028 0.23127 0.26980 0.33811 0.34197 0.34513 0.35423 0.35640 0.35837 0.35864 0.37845 0.57144 -2.78331323e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 3.39200 3.37074 3.37053 3.36054 4.03243 3.19705 3.40199 3.40277 3.38963 3.40020 3.01479 3.38178 3.36170 3.36102 3.37688 4.03844 3.37223 3.36196 4.01321 3.24250 3.24384 3.37521 3.39468 3.37592 4.02380 3.20539 3.37544 3.38415 4.05087 3.37113 4.03236 3.19892 3.37151 4.01309 3.24439 3.24440 4.02333 3.20404 4.04042 2.04215 3.05313 2.07074 2.82283 2.06661 2.05099 2.51869 2.04392 2.04753 5.96478 2.04215 1.90135 2.20003 1.82352 1.89506 2.06719 1.88815 2.10813 2.18771 1.81979 2.10856 1.86445 1.86179 2.06030 1.86956 2.15797 1.86160 2.23491 1.86444 2.05562 2.16556 1.90057 1.89382 2.12618 1.88121 1.88788 2.14997 1.88280 2.11097 2.09521 2.12642 1.88073 2.17023 1.79892 2.17095 1.80332 2.28952 1.80354 1.80135 2.08428 2.08151 1.88717 1.89044 2.06713 2.21870 1.80573 1.88372 2.10998 2.19388 1.81220 2.10939 1.89351 1.89409 2.19173 1.88924 1.88415 2.14549 2.05956 1.88822 2.05886 2.14763 1.88938 1.89443 2.10698 1.90153 2.20049 1.82375 2.18875 1.81952 2.06727 2.10732 2.28930 1.80379 1.80241 1.88115 2.17147 1.79879 2.16967 1.80298 2.08347 2.08160 1.88331 2.19533 1.81294 1.89131 2.10845 1.88619 2.21889 1.80615 2.06811 2.10804 1.88337 1.88187 2.10793 1.90158 1.89428 2.12250 1.88770 2.09650 2.12955 2.15081 2.03354 2.03542 2.00637 2.03446 2.10817 1.95519 2.00583 2.10705 1.95536 2.03641 1.86442 2.04025 1.88863 1.89482 1.85936 1.90804 2.03491 2.16768 2.08054 2.11741 2.11437 1.43060 2.05094 1.65645 1.65873 2.03052 1.95274 2.11178 2.03041 2.03287 2.00643 1.95270 2.11188 2.00614 2.03660 -1.11186 -0.02052 2.64451 2.54006 -2.65179 0.01325 -0.03232 1.05901 -2.55913 0.01879 -2.76618 1.06831 -1.09686 2.40135 -0.04734 2.69461 -0.09036 -2.53906 1.10717 -0.00080 -2.47229 -0.00130 -1.10927 2.70243 -2.70231 2.47290 0.00141 1.10882 0.00437 -2.60462 -2.49859 2.68015 0.07115 0.04825 -1.05620 2.61799 0.07329 -1.12179 2.65330 1.16651 -0.02857 -2.53666 -2.53620 2.55191 0.04382 -0.01392 1.09917 -2.57329 -1.10128 0.01182 2.62254 2.46977 -2.70032 -0.08960 0.01451 -1.10337 2.59738 1.10542 -0.01247 -2.59490 -2.58709 2.57821 -0.00423 0.01966 2.65241 -1.05977 1.11213 -2.53831 0.03270 -2.63727 -0.00452 2.56649 1.10103 -0.01265 -2.62437 0.01316 -1.10052 2.57095 -2.47236 2.69715 0.08543 -0.36779 -2.49289 1.62815 -2.78435 1.37374 -0.78841 2.18178 0.05668 -2.10547 -1.56245 2.59564 0.43349 0.85839 -1.26671 2.85433 -1.10148 0.00498 2.67941 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-2.53667 -2.53620 2.55191 0.04381 -0.01393 1.09916 -2.57333 -1.10128 0.01181 2.62251 2.46980 -2.70029 -0.08959 0.01452 -1.10337 2.59737 1.10543 -0.01247 -2.59491 -2.58709 2.57821 -0.00424 0.01966 2.65241 -1.05977 1.11212 -2.53832 0.03269 -2.63725 -0.00451 2.56650 1.10103 -0.01264 -2.62433 0.01317 -1.10050 2.57100 -2.47240 2.69712 0.08543 -0.36786 -2.49297 1.62807 -2.78447 1.37362 -0.78853 2.18169 0.05659 -2.10556 -1.56255 2.59553 0.43338 0.85832 -1.26678 2.85425 -1.10147 0.00499 2.67942 0.00909 1.11555 -2.49320 2.58509 -2.59163 0.08280 -0.00229 -2.68024 1.05735 -1.10684 2.49840 -0.04720 2.60888 -0.06906 -2.61466 -2.57974 1.06267 0.05334 2.58860 -0.05218 -1.06150 -0.00829 -2.64907 2.62479 -0.00655 2.67555 -1.06158 1.10468 -2.49640 0.04966 -2.61716 0.06495 2.61100 -0.00954 1.09567 -2.69886 2.77523 -2.40275 0.08590 -1.05712 0.04809 2.53675 2.57842 -2.58986 0.01045 -1.06211 0.05280 2.65310 -0.05254 1.06237 -2.62051 0.08623 -1.16236 2.50756 1.16284 -0.08575 -2.69901 -2.40501 2.62959 0.01632 1.16254 -0.08499 -2.50610 0.08040 -1.16712 2.69495 -2.62592 2.40974 -0.01138 -0.00320 1.11009 -2.63460 2.63554 -2.53436 0.00414 -1.07473 0.03856 2.57705 -1.10488 -0.00163 2.46891 -0.00133 1.10192 -2.71072 2.70868 -2.47126 -0.00071 -1.10415 0.00871 2.61784 2.49530 -2.67502 -0.06590 -0.04997 1.06289 -2.61117 -0.07925 -2.65936 1.11767 -1.16320 2.53988 0.03372 2.53850 -0.04160 -2.54776 0.00071 -2.63866 1.07332 -1.11139 2.53243 -0.03878 2.63195 -0.00742 -2.57863 -0.00579 -1.11635 2.58714 1.10121 -0.00935 -2.58905 -2.67952 2.49310 -0.08660 1.09741 -2.40010 0.04855 -0.01945 2.76623 -1.06831 -2.69674 0.08894 2.53759 -0.07315 1.12123 -2.65378 -1.16724 0.02714 2.53532 2.53570 -2.55312 -0.04494 -1.09359 0.01147 2.70116 2.40346 -2.77467 -0.08498 -0.04554 1.05952 -2.53398 -1.16384 0.08484 2.69779 -0.08671 1.16198 -2.50826 2.40545 -2.62905 -0.01611 -0.08107 1.16687 -2.69508 -1.16395 0.08399 2.50523 2.62690 -2.40835 0.01289 1.16310 -2.53906 -0.03432 0.08003 2.66107 -1.11739 -2.53673 0.04430 2.54904 -0.00353 -1.21142 2.53406 1.21276 0.00487 -2.53284 -2.53788 2.53741 -0.00029 1.13223 -2.02146 -0.97692 2.15258 -2.99873 0.13076 3.13522 0.02720 -1.56190 -0.01876 -3.12679 1.56730 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000004 0.000001 0.000269 0.000037 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.707370e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 1 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 5 5 5 5 5 6 6 6 7 7 7 8 8 8 8 9 9 10 20 20 22 22 22 24 24 26 26 26 31 2 4 7 10 11 32 3 6 7 10 22 6 7 8 9 12 5 10 13 20 32 6 9 10 14 20 9 10 15 8 16 32 9 17 20 32 18 20 19 21 32 23 24 30 25 26 27 28 29 32 1.795 1.7837 1.7836 1.7783 2.1339 1.6918 1.8003 1.8007 1.7937 1.7993 1.5954 1.7896 1.7789 1.7786 1.787 2.1371 1.7845 1.7791 2.1237 1.7159 1.7166 1.7861 1.7964 1.7865 2.1293 1.6962 1.7862 1.7908 2.1436 1.7839 2.1338 1.6928 1.7841 2.1236 1.7169 1.7169 2.1291 1.6955 2.1381 1.0807 1.6156 1.0958 1.4938 1.0936 1.0853 1.3328 1.0816 1.0835 3.1564 1.0807 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 2 2 2 4 4 7 7 10 10 11 1 1 1 3 3 6 6 7 7 10 2 2 2 6 6 6 7 7 8 9 1 1 1 5 5 10 10 10 13 13 4 4 4 6 6 9 9 10 10 14 2 2 2 3 3 3 5 9 9 10 1 1 1 2 2 2 3 3 8 16 3 3 3 7 7 7 9 9 17 17 3 3 3 5 5 6 6 6 8 18 1 1 1 2 2 2 4 4 5 6 4 4 4 5 5 5 8 9 9 21 2 2 2 23 23 24 22 22 25 24 24 24 27 27 28 1 1 1 4 4 4 7 7 8 20 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 20 20 20 20 20 20 20 20 20 20 22 22 22 22 22 22 24 24 24 26 26 26 26 26 26 32 32 32 32 32 32 32 32 32 32 4 11 32 7 11 10 11 11 32 32 3 6 22 10 22 7 22 10 22 22 8 9 12 7 8 12 9 12 12 12 5 13 20 13 32 13 20 32 20 32 6 9 14 14 20 10 14 14 20 20 5 9 15 5 10 15 15 10 15 15 3 8 16 8 16 32 16 32 16 32 17 20 32 9 17 20 17 32 20 32 5 18 20 8 18 8 18 20 18 20 5 6 19 4 5 19 6 19 19 19 8 9 21 8 21 32 21 21 32 32 23 24 30 24 30 30 25 26 26 27 28 29 28 29 29 8 20 31 7 8 31 20 31 31 31 108.9396 126.0524 104.4801 108.579 118.4412 108.1829 120.7867 125.3464 104.2661 120.8113 106.8254 106.6727 118.0465 107.1181 123.6423 106.662 128.051 106.8245 117.7784 124.0776 108.8948 108.5079 121.8214 107.7856 108.1675 123.1843 107.8764 120.9496 120.0469 121.8351 107.7577 124.3452 103.0703 124.3864 103.3228 131.1797 103.3353 103.2097 119.4203 119.2619 108.1266 108.3145 118.4378 127.1224 103.4608 107.9295 120.8929 125.7 103.8312 120.8589 108.4902 108.5234 125.5769 108.2458 107.9539 122.9275 118.0043 108.1868 117.964 123.05 108.2536 108.5428 120.7211 108.9494 126.0788 104.4929 125.4063 104.251 118.4459 120.7408 131.1674 103.3497 103.2703 107.7818 124.4162 103.0629 124.3127 103.3031 119.374 119.2671 107.9054 125.7829 103.8739 108.3639 120.8052 108.0706 127.133 103.485 118.4941 120.7819 107.9092 107.823 120.7757 108.9524 108.534 121.6104 108.1574 120.1208 122.0142 123.2325 116.5135 116.6212 114.9567 116.5662 120.7895 112.0243 114.9255 120.725 112.0337 116.6779 106.8231 116.8979 108.2107 108.5651 106.5337 109.3228 116.5915 124.199 119.2059 121.3184 121.1444 81.9673 117.5105 94.9077 95.038 116.3401 111.8838 120.9963 116.3337 116.4749 114.9602 111.8816 121.0018 114.9434 116.6885 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 4 4 4 11 11 11 32 32 32 2 2 2 7 7 7 11 11 11 4 4 4 10 10 10 11 11 11 7 7 7 11 11 11 32 32 32 2 2 2 10 10 10 11 11 11 1 1 1 10 10 10 22 22 22 1 1 1 7 7 7 22 22 22 6 6 6 10 10 10 22 22 22 3 3 3 7 7 7 22 22 22 1 1 1 3 3 3 6 6 6 7 7 7 10 10 10 7 7 7 8 8 8 12 12 12 6 6 6 9 9 9 12 12 12 2 2 2 6 6 6 12 12 12 2 2 2 7 7 7 12 12 12 1 1 1 13 13 13 32 32 32 13 13 13 20 20 20 32 32 32 1 1 1 10 10 10 13 13 13 5 5 5 10 10 10 13 13 13 4 4 4 14 14 14 20 20 20 4 4 4 10 10 10 14 14 14 9 9 9 14 14 14 20 20 20 6 6 6 10 10 10 14 14 14 2 2 2 10 10 10 15 15 15 3 3 3 9 9 9 15 15 15 1 1 1 2 2 2 16 16 16 2 2 2 3 3 3 16 16 16 7 7 7 17 17 17 32 32 32 3 3 3 7 7 7 17 17 17 3 3 3 9 9 9 17 17 17 3 3 3 6 6 6 18 18 18 5 5 5 9 9 9 21 21 21 2 2 23 23 30 30 22 22 22 25 25 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 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 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 20 20 20 20 20 20 20 20 20 22 22 22 22 22 22 24 24 24 24 24 2 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 32 32 32 32 32 32 32 32 32 3 3 3 3 3 3 3 3 3 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 5 5 5 5 5 5 5 5 5 10 10 10 10 10 10 10 10 10 20 20 20 20 20 20 20 20 20 32 32 32 32 32 32 32 32 32 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 20 20 20 20 20 20 20 20 20 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 8 8 8 8 8 8 8 8 8 32 32 32 32 32 32 32 32 32 9 9 9 9 9 9 9 9 9 20 20 20 20 20 20 20 20 20 32 32 32 32 32 32 32 32 32 20 20 20 20 20 20 20 20 20 32 32 32 32 32 32 32 32 32 24 24 24 24 24 24 26 26 26 26 26 3 6 22 3 6 22 3 6 22 5 13 20 5 13 20 5 13 20 3 8 16 3 8 16 3 8 16 5 6 19 5 6 19 5 6 19 8 20 31 8 20 31 8 20 31 8 9 12 8 9 12 8 9 12 5 9 15 5 9 15 5 9 15 8 16 32 8 16 32 8 16 32 4 5 19 4 5 19 4 5 19 23 24 30 23 24 30 23 24 30 23 24 30 23 24 30 5 10 15 5 10 15 5 10 15 1 16 32 1 16 32 1 16 32 17 20 32 17 20 32 17 20 32 5 18 20 5 18 20 5 18 20 6 9 14 6 9 14 6 9 14 2 6 19 2 6 19 2 6 19 8 9 21 8 9 21 8 9 21 7 8 31 7 8 31 7 8 31 2 3 15 2 3 15 2 3 15 3 8 18 3 8 18 3 8 18 1 2 19 1 2 19 1 2 19 8 21 32 8 21 32 8 21 32 8 18 20 8 18 20 8 18 20 1 4 19 1 4 19 1 4 19 9 17 20 9 17 20 9 17 20 4 20 31 4 20 31 4 20 31 5 6 18 5 6 18 5 6 18 4 5 21 4 5 21 4 5 21 1 4 31 1 4 31 1 4 31 4 21 32 4 21 32 4 21 32 1 7 31 1 7 31 1 7 31 25 26 25 26 25 26 27 28 29 27 28 -63.7048 -1.1759 151.5195 145.5347 -151.9364 0.759 -1.8519 60.677 -146.6276 1.0765 -158.4905 61.2096 -62.8456 137.5874 -2.7125 154.3895 -5.1775 -145.4774 63.4363 -0.0459 -141.6516 -0.0744 -63.5566 154.8377 -154.8312 141.6866 0.0809 63.5308 0.2507 -149.2338 -143.1588 153.561 4.0766 2.7645 -60.5157 149.9999 4.1989 -64.2739 152.0229 66.8358 -1.637 -145.3402 -145.3134 146.2138 2.5106 -0.7977 62.9781 -147.4385 -63.0988 0.6771 150.2605 141.5073 -154.7168 -5.1334 0.8316 -63.2185 148.8188 63.3359 -0.7142 -148.6769 -148.2296 147.7203 -0.2424 1.1265 151.9718 -60.7201 63.7203 -145.4343 1.8738 -151.1045 -0.2592 147.0489 63.0842 -0.7246 -150.3652 0.7538 -63.0549 147.3044 -141.6561 154.5352 4.8945 -21.0729 -142.8319 93.2861 -159.5317 78.7093 -45.1727 125.0067 3.2477 -120.6343 -89.5218 148.7192 24.8372 49.1819 -72.5771 163.5409 -63.1103 0.2853 153.5191 0.5201 63.9157 -142.8506 148.1149 -148.4895 4.7442 -0.131 -153.5662 60.582 -63.4169 143.1479 -2.7039 149.4787 -3.9565 -149.8082 -147.8086 60.886 3.056 148.3161 -2.9894 -60.8193 -0.4768 -151.7822 150.3879 -0.3756 153.2994 -60.8238 63.2935 -143.0315 2.8453 -149.954 3.721 149.5978 -0.5468 62.7771 -154.6341 159.0097 -137.6664 4.9224 -60.5684 2.7555 145.3443 147.7329 -148.3883 0.6006 -60.8537 3.0251 152.014 -3.0098 60.869 -150.1421 4.9407 -66.5998 143.6739 66.6263 -4.9142 -154.6405 -137.7956 150.6639 0.9377 66.6089 -4.8693 -143.5883 4.6069 -66.8713 154.4097 -150.4544 138.0673 -0.6517 -0.1828 63.6039 -150.9517 151.0053 -145.208 0.2364 -61.5759 2.2107 147.6552 -63.3046 -0.0937 141.4573 -0.0761 63.1347 -155.3143 155.1976 -141.5916 -0.0406 -63.2627 0.4994 149.9929 142.9689 -153.269 -3.7755 -2.8629 60.8993 -149.6072 -4.5424 -152.3697 64.0374 -66.6475 145.5252 1.9323 145.4459 -2.3814 -145.9743 0.0405 -151.1839 61.4952 -63.6781 145.0975 -2.2235 150.7994 -0.425 -147.746 -0.3312 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0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1437.2082 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(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 2-A -3420.0142922 0.756639 0. 0.750033 2.184E-9 8.036E-6 -2.4094376,1.9698549,0.4395828,4.9885745,0.5304205,0.0608976 C01 [X(C5H7B10I10)] -1.8447822 -0.5719029 -0.2336782 -0.000002457 0.000004818 -0.000006984 0.000009395 -0.000011042 -0.000007052 -0.000008035 0.000000690 0.000009764 0.000004570 -0.000005356 -0.000000232 0.000009840 -0.000016984 -0.000002976 -0.000003539 0.000000316 0.000005270 -0.000007213 0.000012026 0.000000142 0.000000632 0.000011639 0.000000108 0.000010575 -0.000011976 0.000007401 -0.000004128 -0.000010897 -0.000008327 -0.000000701 -0.000002708 -0.000018757 -0.000001785 0.000015430 0.000011602 0.000004827 -0.000010371 -0.000006715 0.000005718 -0.000012274 0.000012233 0.000004826 -0.000006893 0.000014459 -0.000005416 0.000015029 -0.000009375 -0.000001969 0.000017840 0.000004775 0.000000996 0.000005406 0.000021063 0.000005376 -0.000013415 -0.000003254 -0.000012847 0.000018152 0.000013242 0.000000525 -0.000004602 0.000002752 -0.000002355 0.000007761 -0.000001422 -0.000001064 -0.000003488 -0.000009717 0.000003271 -0.000002678 -0.000001850 0.000002001 -0.000007649 -0.000000479 -0.000006504 0.000004578 -0.000000617 0.000003221 -0.000003522 0.000005264 -0.000000867 0.000005093 0.000000614 0.000000824 -0.000004106 -0.000013182 -0.000001941 0.000004972 -0.000006640 -0.000001944 0.000003152 -0.000007693 -0.000003833 0.000001058 -0.000003418 1437.2082 AuxInfo=1/0/N:26,24,22,32,20,2,4,8,1,7,5,9,10,3,6,13,17,11,16,14,18,19,12,15;29/E:(7,8)(9,10)(11,12)(13,14)(16,17)(18,19)(20,21)(22,23);/CRV:1.3,2.3,4.6,5.6,6.6,7.6,8.6,9.6,10.6,11.6,12.6,13.6,14.6,15.6;/rA:32nB6B6B6B6B6B6B6B6B6B6IIIIIIIIIC6HCHC3HC3HHI0HHC6/rB:s1;s2;s1;s4;s2s3s5;s1s2s3;s3s7;s3s5s6s8;s1s2s4s5s6;s1;s3;s4;s5;s6;s7;s8;s9;s10;s4s5s8s9;s20;s2;s22;s22;s24;s24;s26;s26;;s22;;s1s4s7s8s20s31;/rC:.1042,-1.4797,.3238;1.0948,-.0561,-.1389;.0678,.9696,-1.2038;-1.2949,-.9249,1.2812;-1.2046,.8536,1.3965;.2576,1.3935,.5244;-.0286,-.8029,-1.3211;-1.5133,.182,-1.4112;-1.3408,1.5343,-.2604;.2855,-.1292,1.4665;.8249,-3.4641,.6334;.9005,2.1324,-2.7917;-2.4036,-2.1581,2.6078;-2.1405,1.8111,3.0521;1.2156,3.1941,1.1841;.5277,-1.9612,-3.0247;-2.8645,.1692,-3.0495;-2.4441,3.3197,-.6183;1.4018,-.3683,3.2743;-2.1295,.1023,.1893;-3.2071,.0647,.261;2.6598,-.2718,-.3617;2.9325,-1.1895,.1713;3.5645,.8275,.0904;3.593,1.0255,1.1571;4.33,1.5512,-.7261;4.9645,2.3415,-.3485;4.3161,1.3894,-1.7974;6.3917,-.7616,-.1232;2.83,-.4667,-1.4242;-2.0331,-2.0314,-.6963;-1.3962,-1.2071,-.409; Gaussian 16 GINC-PAUL05 MR11XIBY Title AS64L-G16RevC.02 90 C1[X(C5H7B10I10)] UM062X def2TZVPP Freq #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk UM062X/def2TZVPPFreq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1437.2082 AuxInfo=1/0/N:26,24,22,32,20,2,4,8,1,7,5,9,10,3,6,13,17,11,16,14,18,19,12,15;29/E:(7,8)(9,10)(11,12)(13,14)(16,17)(18,19)(20,21)(22,23);/CRV:1.3,2.3,4.6,5.6,6.6,7.6,8.6,9.6,10.6,11.6,12.6,13.6,14.6,15.6;/rA:32nB6B6B6B6B6B6B6B6B6B6IIIIIIIIIC6HCHC3HC3HHI0HHC6/rB:s1;s2;s1;s4;s2s3s5;s1s2s3;s3s7;s3s5s6s8;s1s2s4s5s6;s1;s3;s4;s5;s6;s7;s8;s9;s10;s4s5s8s9;s20;s2;s22;s22;s24;s24;s26;s26;;s22;;s1s4s7s8s20s31;/rC:.1042,-1.4797,.3238;1.0948,-.0561,-.1389;.0678,.9696,-1.2038;-1.2949,-.9249,1.2812;-1.2046,.8536,1.3965;.2576,1.3935,.5244;-.0286,-.8029,-1.3211;-1.5133,.182,-1.4112;-1.3408,1.5343,-.2604;.2855,-.1292,1.4665;.8249,-3.4641,.6334;.9005,2.1324,-2.7917;-2.4036,-2.1581,2.6078;-2.1405,1.8111,3.0521;1.2156,3.1941,1.1841;.5277,-1.9612,-3.0247;-2.8645,.1692,-3.0495;-2.4441,3.3197,-.6183;1.4018,-.3683,3.2743;-2.1295,.1023,.1893;-3.2071,.0647,.261;2.6598,-.2718,-.3617;2.9325,-1.1895,.1713;3.5645,.8275,.0904;3.593,1.0255,1.1571;4.33,1.5512,-.7261;4.9645,2.3415,-.3485;4.3161,1.3894,-1.7974;6.3917,-.7616,-.1232;2.83,-.4667,-1.4242;-2.0331,-2.0314,-.6963;-1.3962,-1.2071,-.409; Title Redundant internal coordinates found in file. (old form). Charge = 0 Multiplicity = 2 Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 1 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 5 5 5 5 5 6 6 6 7 7 7 8 8 8 8 9 9 10 20 20 22 22 22 24 24 26 26 26 31 2 4 7 10 11 32 3 6 7 10 22 6 7 8 9 12 5 10 13 20 32 6 9 10 14 20 9 10 15 8 16 32 9 17 20 32 18 20 19 21 32 23 24 30 25 26 27 28 29 32 1.795 1.7837 1.7836 1.7783 2.1339 1.6918 1.8003 1.8007 1.7937 1.7993 1.5954 1.7896 1.7789 1.7786 1.787 2.1371 1.7845 1.7791 2.1237 1.7159 1.7166 1.7861 1.7964 1.7865 2.1293 1.6962 1.7862 1.7908 2.1436 1.7839 2.1338 1.6928 1.7841 2.1236 1.7169 1.7169 2.1291 1.6955 2.1381 1.0807 1.6156 1.0958 1.4938 1.0936 1.0853 1.3328 1.0816 1.0835 3.1564 1.0807 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 2 2 2 4 4 7 7 10 10 11 1 1 1 3 3 6 6 7 7 10 2 2 2 6 6 6 7 7 8 9 1 1 1 5 5 10 10 10 13 13 4 4 4 6 6 9 9 10 10 14 2 2 2 3 3 3 5 9 9 10 1 1 1 2 2 2 3 3 8 16 3 3 3 7 7 7 9 9 17 17 3 3 3 5 5 6 6 6 8 18 1 1 1 2 2 2 4 4 5 6 4 4 4 5 5 5 8 9 9 21 2 2 2 23 23 24 22 22 25 24 24 24 27 27 28 1 1 1 4 4 4 7 7 8 20 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 20 20 20 20 20 20 20 20 20 20 22 22 22 22 22 22 24 24 24 26 26 26 26 26 26 32 32 32 32 32 32 32 32 32 32 4 11 32 7 11 10 11 11 32 32 3 6 22 10 22 7 22 10 22 22 8 9 12 7 8 12 9 12 12 12 5 13 20 13 32 13 20 32 20 32 6 9 14 14 20 10 14 14 20 20 5 9 15 5 10 15 15 10 15 15 3 8 16 8 16 32 16 32 16 32 17 20 32 9 17 20 17 32 20 32 5 18 20 8 18 8 18 20 18 20 5 6 19 4 5 19 6 19 19 19 8 9 21 8 21 32 21 21 32 32 23 24 30 24 30 30 25 26 26 27 28 29 28 29 29 8 20 31 7 8 31 20 31 31 31 108.9396 126.0524 104.4801 108.579 118.4412 108.1829 120.7867 125.3464 104.2661 120.8113 106.8254 106.6727 118.0465 107.1181 123.6423 106.662 128.051 106.8245 117.7784 124.0776 108.8948 108.5079 121.8214 107.7856 108.1675 123.1843 107.8764 120.9496 120.0469 121.8351 107.7577 124.3452 103.0703 124.3864 103.3228 131.1797 103.3353 103.2097 119.4203 119.2619 108.1266 108.3145 118.4378 127.1224 103.4608 107.9295 120.8929 125.7 103.8312 120.8589 108.4902 108.5234 125.5769 108.2458 107.9539 122.9275 118.0043 108.1868 117.964 123.05 108.2536 108.5428 120.7211 108.9494 126.0788 104.4929 125.4063 104.251 118.4459 120.7408 131.1674 103.3497 103.2703 107.7818 124.4162 103.0629 124.3127 103.3031 119.374 119.2671 107.9054 125.7829 103.8739 108.3639 120.8052 108.0706 127.133 103.485 118.4941 120.7819 107.9092 107.823 120.7757 108.9524 108.534 121.6104 108.1574 120.1208 122.0142 123.2325 116.5135 116.6212 114.9567 116.5662 120.7895 112.0243 114.9255 120.725 112.0337 116.6779 106.8231 116.8979 108.2107 108.5651 106.5337 109.3228 116.5915 124.199 119.2059 121.3184 121.1444 81.9673 117.5105 94.9077 95.038 116.3401 111.8838 120.9963 116.3337 116.4749 114.9602 111.8816 121.0018 114.9434 116.6885 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 4 4 4 11 11 11 32 32 32 2 2 2 7 7 7 11 11 11 4 4 4 10 10 10 11 11 11 7 7 7 11 11 11 32 32 32 2 2 2 10 10 10 11 11 11 1 1 1 10 10 10 22 22 22 1 1 1 7 7 7 22 22 22 6 6 6 10 10 10 22 22 22 3 3 3 7 7 7 22 22 22 1 1 1 3 3 3 6 6 6 7 7 7 10 10 10 7 7 7 8 8 8 12 12 12 6 6 6 9 9 9 12 12 12 2 2 2 6 6 6 12 12 12 2 2 2 7 7 7 12 12 12 1 1 1 13 13 13 32 32 32 13 13 13 20 20 20 32 32 32 1 1 1 10 10 10 13 13 13 5 5 5 10 10 10 13 13 13 4 4 4 14 14 14 20 20 20 4 4 4 10 10 10 14 14 14 9 9 9 14 14 14 20 20 20 6 6 6 10 10 10 14 14 14 2 2 2 10 10 10 15 15 15 3 3 3 9 9 9 15 15 15 1 1 1 2 2 2 16 16 16 2 2 2 3 3 3 16 16 16 7 7 7 17 17 17 32 32 32 3 3 3 7 7 7 17 17 17 3 3 3 9 9 9 17 17 17 3 3 3 6 6 6 18 18 18 5 5 5 9 9 9 21 21 21 2 2 23 23 30 30 22 22 22 25 25 25 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 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 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 20 20 20 20 20 20 20 20 20 22 22 22 22 22 22 24 24 24 24 24 24 2 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 32 32 32 32 32 32 32 32 32 3 3 3 3 3 3 3 3 3 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 5 5 5 5 5 5 5 5 5 10 10 10 10 10 10 10 10 10 20 20 20 20 20 20 20 20 20 32 32 32 32 32 32 32 32 32 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 20 20 20 20 20 20 20 20 20 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 8 8 8 8 8 8 8 8 8 32 32 32 32 32 32 32 32 32 9 9 9 9 9 9 9 9 9 20 20 20 20 20 20 20 20 20 32 32 32 32 32 32 32 32 32 20 20 20 20 20 20 20 20 20 32 32 32 32 32 32 32 32 32 24 24 24 24 24 24 26 26 26 26 26 26 3 6 22 3 6 22 3 6 22 5 13 20 5 13 20 5 13 20 3 8 16 3 8 16 3 8 16 5 6 19 5 6 19 5 6 19 8 20 31 8 20 31 8 20 31 8 9 12 8 9 12 8 9 12 5 9 15 5 9 15 5 9 15 8 16 32 8 16 32 8 16 32 4 5 19 4 5 19 4 5 19 23 24 30 23 24 30 23 24 30 23 24 30 23 24 30 5 10 15 5 10 15 5 10 15 1 16 32 1 16 32 1 16 32 17 20 32 17 20 32 17 20 32 5 18 20 5 18 20 5 18 20 6 9 14 6 9 14 6 9 14 2 6 19 2 6 19 2 6 19 8 9 21 8 9 21 8 9 21 7 8 31 7 8 31 7 8 31 2 3 15 2 3 15 2 3 15 3 8 18 3 8 18 3 8 18 1 2 19 1 2 19 1 2 19 8 21 32 8 21 32 8 21 32 8 18 20 8 18 20 8 18 20 1 4 19 1 4 19 1 4 19 9 17 20 9 17 20 9 17 20 4 20 31 4 20 31 4 20 31 5 6 18 5 6 18 5 6 18 4 5 21 4 5 21 4 5 21 1 4 31 1 4 31 1 4 31 4 21 32 4 21 32 4 21 32 1 7 31 1 7 31 1 7 31 25 26 25 26 25 26 27 28 29 27 28 29 -63.7048 -1.1759 151.5195 145.5347 -151.9364 0.759 -1.8519 60.677 -146.6276 1.0765 -158.4905 61.2096 -62.8456 137.5874 -2.7125 154.3895 -5.1775 -145.4774 63.4363 -0.0459 -141.6516 -0.0744 -63.5566 154.8377 -154.8312 141.6866 0.0809 63.5308 0.2507 -149.2338 -143.1588 153.561 4.0766 2.7645 -60.5157 149.9999 4.1989 -64.2739 152.0229 66.8358 -1.637 -145.3402 -145.3134 146.2138 2.5106 -0.7977 62.9781 -147.4385 -63.0988 0.6771 150.2605 141.5073 -154.7168 -5.1334 0.8316 -63.2185 148.8188 63.3359 -0.7142 -148.6769 -148.2296 147.7203 -0.2424 1.1265 151.9718 -60.7201 63.7203 -145.4343 1.8738 -151.1045 -0.2592 147.0489 63.0842 -0.7246 -150.3652 0.7538 -63.0549 147.3044 -141.6561 154.5352 4.8945 -21.0729 -142.8319 93.2861 -159.5317 78.7093 -45.1727 125.0067 3.2477 -120.6343 -89.5218 148.7192 24.8372 49.1819 -72.5771 163.5409 -63.1103 0.2853 153.5191 0.5201 63.9157 -142.8506 148.1149 -148.4895 4.7442 -0.131 -153.5662 60.582 -63.4169 143.1479 -2.7039 149.4787 -3.9565 -149.8082 -147.8086 60.886 3.056 148.3161 -2.9894 -60.8193 -0.4768 -151.7822 150.3879 -0.3756 153.2994 -60.8238 63.2935 -143.0315 2.8453 -149.954 3.721 149.5978 -0.5468 62.7771 -154.6341 159.0097 -137.6664 4.9224 -60.5684 2.7555 145.3443 147.7329 -148.3883 0.6006 -60.8537 3.0251 152.014 -3.0098 60.869 -150.1421 4.9407 -66.5998 143.6739 66.6263 -4.9142 -154.6405 -137.7956 150.6639 0.9377 66.6089 -4.8693 -143.5883 4.6069 -66.8713 154.4097 -150.4544 138.0673 -0.6517 -0.1828 63.6039 -150.9517 151.0053 -145.208 0.2364 -61.5759 2.2107 147.6552 -63.3046 -0.0937 141.4573 -0.0761 63.1347 -155.3143 155.1976 -141.5916 -0.0406 -63.2627 0.4994 149.9929 142.9689 -153.269 -3.7755 -2.8629 60.8993 -149.6072 -4.5424 -152.3697 64.0374 -66.6475 145.5252 1.9323 145.4459 -2.3814 -145.9743 0.0405 -151.1839 61.4952 -63.6781 145.0975 -2.2235 150.7994 -0.425 -147.746 -0.3312 -63.9613 148.2314 63.0952 -0.5348 -148.3421 -153.5248 142.8451 -4.9622 62.8771 -137.5138 2.782 -1.1143 158.4947 -61.2094 -154.5119 5.0972 145.393 -4.1916 64.2407 -152.0512 -66.8779 1.5545 145.2626 145.2846 -146.283 -2.5749 -62.6579 0.6571 154.7656 137.7067 -158.9783 -4.8698 -2.6091 60.7059 -145.1856 -66.6838 4.8621 154.5702 -4.9682 66.5777 -143.7142 137.821 -150.6331 -0.925 -4.6451 66.8566 -154.4175 -66.6895 4.8122 143.5381 150.5111 -137.9872 0.7387 66.6417 -145.4783 -1.9667 4.5872 152.4672 -64.0212 -145.344 2.536 146.0476 -0.2025 -69.4095 145.1906 69.4862 0.2792 -145.1207 -145.4098 145.3832 -0.0168 64.8709 -115.8221 -55.9741 123.3329 -171.8158 7.4911 179.6332 1.559 -89.492 -1.0768 -179.151 89.798 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 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analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00143 0.00318 0.00604 0.00745 0.01014 0.01078 0.01120 0.01128 0.01145 0.01185 0.01220 0.01276 0.01334 0.01470 0.01491 0.01494 0.01537 0.01575 0.01669 0.01722 0.01755 0.01757 0.01786 0.01798 0.01852 0.01955 0.01995 0.02146 0.02207 0.02243 0.02275 0.02382 0.02463 0.02480 0.02561 0.02590 0.02663 0.02708 0.02757 0.02911 0.03034 0.03323 0.03448 0.03524 0.03669 0.03685 0.03848 0.03863 0.04100 0.04403 0.05361 0.05797 0.06202 0.06454 0.07041 0.07056 0.07084 0.07220 0.07245 0.08227 0.08538 0.08635 0.09138 0.09445 0.10127 0.10405 0.10844 0.11542 0.13324 0.15760 0.16176 0.16271 0.16354 0.16392 0.16514 0.16596 0.16764 0.16802 0.17702 0.20191 0.27588 0.31841 0.33277 0.34069 0.35848 0.36265 0.36573 0.36628 0.36676 0.62298 Angle between quadratic step and forces= 48.93 degrees. 1 2 0.00005834 0.00000000 0.00000000 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 3.39200 3.37074 3.37053 3.36054 4.03243 3.19705 3.40199 3.40277 3.38963 3.40020 3.01479 3.38178 3.36170 3.36102 3.37688 4.03844 3.37223 3.36196 4.01321 3.24250 3.24384 3.37521 3.39468 3.37592 4.02380 3.20539 3.37544 3.38415 4.05087 3.37113 4.03236 3.19892 3.37151 4.01309 3.24439 3.24440 4.02333 3.20404 4.04042 2.04215 3.05313 2.07074 2.82283 2.06661 2.05099 2.51869 2.04392 2.04753 5.96478 2.04215 1.90135 2.20003 1.82352 1.89506 2.06719 1.88815 2.10813 2.18771 1.81979 2.10856 1.86445 1.86179 2.06030 1.86956 2.15797 1.86160 2.23491 1.86444 2.05562 2.16556 1.90057 1.89382 2.12618 1.88121 1.88788 2.14997 1.88280 2.11097 2.09521 2.12642 1.88073 2.17023 1.79892 2.17095 1.80332 2.28952 1.80354 1.80135 2.08428 2.08151 1.88717 1.89044 2.06713 2.21870 1.80573 1.88372 2.10998 2.19388 1.81220 2.10939 1.89351 1.89409 2.19173 1.88924 1.88415 2.14549 2.05956 1.88822 2.05886 2.14763 1.88938 1.89443 2.10698 1.90153 2.20049 1.82375 2.18875 1.81952 2.06727 2.10732 2.28930 1.80379 1.80241 1.88115 2.17147 1.79879 2.16967 1.80298 2.08347 2.08160 1.88331 2.19533 1.81294 1.89131 2.10845 1.88619 2.21889 1.80615 2.06811 2.10804 1.88337 1.88187 2.10793 1.90158 1.89428 2.12250 1.88770 2.09650 2.12955 2.15081 2.03354 2.03542 2.00637 2.03446 2.10817 1.95519 2.00583 2.10705 1.95536 2.03641 1.86442 2.04025 1.88863 1.89482 1.85936 1.90804 2.03491 2.16768 2.08054 2.11741 2.11437 1.43060 2.05094 1.65645 1.65873 2.03052 1.95274 2.11178 2.03041 2.03287 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-0.00004 -0.00001 -0.00001 0.00004 -0.00000 -0.00000 0.00005 -0.00001 -0.00001 0.00004 -0.00000 -0.00002 0.00001 -0.00001 -0.00003 0.00000 0.00000 -0.00001 0.00002 -0.00002 -0.00005 -0.00000 -0.00003 -0.00006 -0.00001 -0.00000 -0.00004 0.00001 0.00001 0.00002 0.00003 -0.00001 0.00001 0.00002 -0.00002 -0.00001 0.00001 0.00001 0.00002 0.00001 0.00005 0.00006 0.00005 0.00001 0.00002 0.00000 0.00001 -0.00004 0.00008 0.00000 -0.00004 0.00007 0.00003 -0.00002 0.00010 -0.00002 -0.00003 0.00002 -0.00001 -0.00002 0.00003 -0.00004 -0.00005 -0.00000 -0.00004 0.00005 0.00000 -0.00006 0.00004 -0.00002 -0.00001 0.00009 0.00004 -0.00000 0.00001 0.00001 -0.00002 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00004 0.00003 0.00004 0.00003 0.00006 0.00005 0.00008 -0.00003 -0.00009 0.00007 -0.00004 -0.00010 3.39198 3.37072 3.37050 3.36049 4.03243 3.19706 3.40200 3.40281 3.38963 3.40019 3.01476 3.38174 3.36165 3.36099 3.37683 4.03845 3.37219 3.36193 4.01319 3.24256 3.24384 3.37519 3.39466 3.37588 4.02382 3.20535 3.37539 3.38413 4.05087 3.37111 4.03237 3.19893 3.37146 4.01307 3.24445 3.24442 4.02335 3.20401 4.04043 2.04215 3.05317 2.07074 2.82283 2.06661 2.05099 2.51868 2.04392 2.04753 5.96496 2.04215 1.90138 2.19999 1.82355 1.89507 2.06719 1.88814 2.10813 2.18770 1.81978 2.10857 1.86443 1.86176 2.06034 1.86953 2.15800 1.86157 2.23488 1.86441 2.05570 2.16554 1.90060 1.89384 2.12616 1.88123 1.88789 2.14991 1.88279 2.11101 2.09523 2.12640 1.88071 2.17023 1.79893 2.17096 1.80330 2.28948 1.80354 1.80134 2.08430 2.08155 1.88719 1.89046 2.06714 2.21866 1.80576 1.88372 2.10997 2.19388 1.81224 2.10937 1.89350 1.89409 2.19172 1.88924 1.88414 2.14550 2.05957 1.88821 2.05888 2.14763 1.88938 1.89445 2.10697 1.90155 2.20045 1.82377 2.18875 1.81953 2.06727 2.10733 2.28927 1.80379 1.80240 1.88113 2.17146 1.79879 2.16968 1.80296 2.08350 2.08164 1.88330 2.19533 1.81299 1.89132 2.10843 1.88621 2.21886 1.80619 2.06812 2.10802 1.88337 1.88187 2.10799 1.90161 1.89430 2.12248 1.88772 2.09653 2.12952 2.15074 2.03351 2.03540 2.00637 2.03444 2.10826 1.95515 2.00582 2.10713 1.95531 2.03636 1.86439 2.04030 1.88863 1.89481 1.85935 1.90804 2.03490 2.16768 2.08054 2.11740 2.11437 1.43058 2.05095 1.65632 1.65879 2.03050 1.95275 2.11177 2.03039 2.03288 2.00645 1.95270 2.11186 2.00615 2.03662 -1.11185 -0.02055 2.64444 2.54008 -2.65180 0.01319 -0.03230 1.05900 -2.55920 0.01881 -2.76612 1.06832 -1.09685 2.40140 -0.04735 2.69460 -0.09033 -2.53908 1.10719 -0.00079 -2.47230 -0.00129 -1.10927 2.70241 -2.70229 2.47292 0.00142 1.10882 0.00437 -2.60459 -2.49861 2.68013 0.07116 0.04825 -1.05620 2.61801 0.07328 -1.12180 2.65326 1.16652 -0.02857 -2.53669 -2.53618 2.55192 0.04380 -0.01395 1.09915 -2.57336 -1.10129 0.01182 2.62249 2.46983 -2.70026 -0.08958 0.01453 -1.10336 2.59738 1.10542 -0.01247 -2.59492 -2.58705 2.57825 -0.00420 0.01968 2.65242 -1.05977 1.11212 -2.53832 0.03268 -2.63725 -0.00451 2.56648 1.10103 -0.01265 -2.62430 0.01319 -1.10049 2.57104 -2.47240 2.69710 0.08545 -0.36789 -2.49299 1.62803 -2.78452 1.37356 -0.78861 2.18163 0.05653 -2.10564 -1.56259 2.59550 0.43333 0.85829 -1.26681 2.85420 -1.10146 0.00499 2.67941 0.00911 1.11556 -2.49320 2.58510 -2.59164 0.08279 -0.00230 -2.68022 1.05735 -1.10685 2.49841 -0.04720 2.60886 -0.06906 -2.61467 -2.57972 1.06269 0.05337 2.58860 -0.05218 -1.06150 -0.00826 -2.64904 2.62482 -0.00656 2.67555 -1.06158 1.10469 -2.49640 0.04966 -2.61714 0.06496 2.61102 -0.00956 1.09565 -2.69887 2.77519 -2.40279 0.08587 -1.05713 0.04808 2.53674 2.57840 -2.58986 0.01042 -1.06213 0.05279 2.65307 -0.05256 1.06236 -2.62054 0.08623 -1.16233 2.50752 1.16284 -0.08573 -2.69906 -2.40502 2.62960 0.01626 1.16255 -0.08496 -2.50612 0.08042 -1.16710 2.69494 -2.62590 2.40977 -0.01138 -0.00319 1.11009 -2.63458 2.63554 -2.53436 0.00415 -1.07475 0.03853 2.57704 -1.10488 -0.00163 2.46891 -0.00133 1.10192 -2.71072 2.70867 -2.47126 -0.00072 -1.10415 0.00872 2.61780 2.49531 -2.67501 -0.06592 -0.04997 1.06290 -2.61120 -0.07922 -2.65938 1.11768 -1.16318 2.53985 0.03372 2.53851 -0.04165 -2.54777 0.00070 -2.63867 1.07333 -1.11139 2.53243 -0.03876 2.63194 -0.00743 -2.57861 -0.00579 -1.11635 2.58714 1.10120 -0.00936 -2.58906 -2.67951 2.49310 -0.08659 1.09739 -2.40012 0.04855 -0.01947 2.76619 -1.06832 -2.69675 0.08892 2.53760 -0.07315 1.12123 -2.65376 -1.16725 0.02714 2.53533 2.53568 -2.55313 -0.04493 -1.09358 0.01149 2.70118 2.40349 -2.77463 -0.08494 -0.04553 1.05954 -2.53396 -1.16384 0.08482 2.69784 -0.08671 1.16196 -2.50822 2.40546 -2.62906 -0.01605 -0.08109 1.16684 -2.69507 -1.16396 0.08397 2.50525 2.62687 -2.40838 0.01289 1.16307 -2.53902 -0.03433 0.08000 2.66109 -1.11740 -2.53674 0.04435 2.54905 -0.00354 -1.21141 2.53406 1.21275 0.00487 -2.53284 -2.53789 2.53741 -0.00029 1.13225 -2.02145 -0.97689 2.15259 -2.99869 0.13080 3.13527 0.02718 -1.56202 -0.01872 -3.12681 1.56717 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000004 0.000001 0.000630 0.000058 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -5.830670e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 1 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 5 5 5 5 5 6 6 6 7 7 7 8 8 8 8 9 9 10 20 20 22 22 22 24 24 26 26 26 31 2 4 7 10 11 32 3 6 7 10 22 6 7 8 9 12 5 10 13 20 32 6 9 10 14 20 9 10 15 8 16 32 9 17 20 32 18 20 19 21 32 23 24 30 25 26 27 28 29 32 1.795 1.7837 1.7836 1.7783 2.1339 1.6918 1.8003 1.8007 1.7937 1.7993 1.5954 1.7896 1.7789 1.7786 1.787 2.1371 1.7845 1.7791 2.1237 1.7159 1.7166 1.7861 1.7964 1.7865 2.1293 1.6962 1.7862 1.7908 2.1436 1.7839 2.1338 1.6928 1.7841 2.1236 1.7169 1.7169 2.1291 1.6955 2.1381 1.0807 1.6156 1.0958 1.4938 1.0936 1.0853 1.3328 1.0816 1.0835 3.1564 1.0807 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 2 2 2 4 4 7 7 10 10 11 1 1 1 3 3 6 6 7 7 10 2 2 2 6 6 6 7 7 8 9 1 1 1 5 5 10 10 10 13 13 4 4 4 6 6 9 9 10 10 14 2 2 2 3 3 3 5 9 9 10 1 1 1 2 2 2 3 3 8 16 3 3 3 7 7 7 9 9 17 17 3 3 3 5 5 6 6 6 8 18 1 1 1 2 2 2 4 4 5 6 4 4 4 5 5 5 8 9 9 21 2 2 2 23 23 24 22 22 25 24 24 24 27 27 28 1 1 1 4 4 4 7 7 8 20 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 20 20 20 20 20 20 20 20 20 20 22 22 22 22 22 22 24 24 24 26 26 26 26 26 26 32 32 32 32 32 32 32 32 32 32 4 11 32 7 11 10 11 11 32 32 3 6 22 10 22 7 22 10 22 22 8 9 12 7 8 12 9 12 12 12 5 13 20 13 32 13 20 32 20 32 6 9 14 14 20 10 14 14 20 20 5 9 15 5 10 15 15 10 15 15 3 8 16 8 16 32 16 32 16 32 17 20 32 9 17 20 17 32 20 32 5 18 20 8 18 8 18 20 18 20 5 6 19 4 5 19 6 19 19 19 8 9 21 8 21 32 21 21 32 32 23 24 30 24 30 30 25 26 26 27 28 29 28 29 29 8 20 31 7 8 31 20 31 31 31 108.9396 126.0524 104.4801 108.579 118.4412 108.1829 120.7867 125.3464 104.2661 120.8113 106.8254 106.6727 118.0465 107.1181 123.6423 106.662 128.051 106.8245 117.7784 124.0776 108.8948 108.5079 121.8214 107.7856 108.1675 123.1843 107.8764 120.9496 120.0469 121.8351 107.7577 124.3452 103.0703 124.3864 103.3228 131.1797 103.3353 103.2097 119.4203 119.2619 108.1266 108.3145 118.4378 127.1224 103.4608 107.9295 120.8929 125.7 103.8312 120.8589 108.4902 108.5234 125.5769 108.2458 107.9539 122.9275 118.0043 108.1868 117.964 123.05 108.2536 108.5428 120.7211 108.9494 126.0788 104.4929 125.4063 104.251 118.4459 120.7408 131.1674 103.3497 103.2703 107.7818 124.4162 103.0629 124.3127 103.3031 119.374 119.2671 107.9054 125.7829 103.8739 108.3639 120.8052 108.0706 127.133 103.485 118.4941 120.7819 107.9092 107.823 120.7757 108.9524 108.534 121.6104 108.1574 120.1208 122.0142 123.2325 116.5135 116.6212 114.9567 116.5662 120.7895 112.0243 114.9255 120.725 112.0337 116.6779 106.8231 116.8979 108.2107 108.5651 106.5337 109.3228 116.5915 124.199 119.2059 121.3184 121.1444 81.9673 117.5105 94.9077 95.038 116.3401 111.8838 120.9963 116.3337 116.4749 114.9602 111.8816 121.0018 114.9434 116.6885 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 4 4 4 11 11 11 32 32 32 2 2 2 7 7 7 11 11 11 4 4 4 10 10 10 11 11 11 7 7 7 11 11 11 32 32 32 2 2 2 10 10 10 11 11 11 1 1 1 10 10 10 22 22 22 1 1 1 7 7 7 22 22 22 6 6 6 10 10 10 22 22 22 3 3 3 7 7 7 22 22 22 1 1 1 3 3 3 6 6 6 7 7 7 10 10 10 7 7 7 8 8 8 12 12 12 6 6 6 9 9 9 12 12 12 2 2 2 6 6 6 12 12 12 2 2 2 7 7 7 12 12 12 1 1 1 13 13 13 32 32 32 13 13 13 20 20 20 32 32 32 1 1 1 10 10 10 13 13 13 5 5 5 10 10 10 13 13 13 4 4 4 14 14 14 20 20 20 4 4 4 10 10 10 14 14 14 9 9 9 14 14 14 20 20 20 6 6 6 10 10 10 14 14 14 2 2 2 10 10 10 15 15 15 3 3 3 9 9 9 15 15 15 1 1 1 2 2 2 16 16 16 2 2 2 3 3 3 16 16 16 7 7 7 17 17 17 32 32 32 3 3 3 7 7 7 17 17 17 3 3 3 9 9 9 17 17 17 3 3 3 6 6 6 18 18 18 5 5 5 9 9 9 21 21 21 2 2 23 23 30 30 22 22 22 25 25 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 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 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 20 20 20 20 20 20 20 20 20 22 22 22 22 22 22 24 24 24 24 24 2 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 32 32 32 32 32 32 32 32 32 3 3 3 3 3 3 3 3 3 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 5 5 5 5 5 5 5 5 5 10 10 10 10 10 10 10 10 10 20 20 20 20 20 20 20 20 20 32 32 32 32 32 32 32 32 32 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 20 20 20 20 20 20 20 20 20 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 8 8 8 8 8 8 8 8 8 32 32 32 32 32 32 32 32 32 9 9 9 9 9 9 9 9 9 20 20 20 20 20 20 20 20 20 32 32 32 32 32 32 32 32 32 20 20 20 20 20 20 20 20 20 32 32 32 32 32 32 32 32 32 24 24 24 24 24 24 26 26 26 26 26 3 6 22 3 6 22 3 6 22 5 13 20 5 13 20 5 13 20 3 8 16 3 8 16 3 8 16 5 6 19 5 6 19 5 6 19 8 20 31 8 20 31 8 20 31 8 9 12 8 9 12 8 9 12 5 9 15 5 9 15 5 9 15 8 16 32 8 16 32 8 16 32 4 5 19 4 5 19 4 5 19 23 24 30 23 24 30 23 24 30 23 24 30 23 24 30 5 10 15 5 10 15 5 10 15 1 16 32 1 16 32 1 16 32 17 20 32 17 20 32 17 20 32 5 18 20 5 18 20 5 18 20 6 9 14 6 9 14 6 9 14 2 6 19 2 6 19 2 6 19 8 9 21 8 9 21 8 9 21 7 8 31 7 8 31 7 8 31 2 3 15 2 3 15 2 3 15 3 8 18 3 8 18 3 8 18 1 2 19 1 2 19 1 2 19 8 21 32 8 21 32 8 21 32 8 18 20 8 18 20 8 18 20 1 4 19 1 4 19 1 4 19 9 17 20 9 17 20 9 17 20 4 20 31 4 20 31 4 20 31 5 6 18 5 6 18 5 6 18 4 5 21 4 5 21 4 5 21 1 4 31 1 4 31 1 4 31 4 21 32 4 21 32 4 21 32 1 7 31 1 7 31 1 7 31 25 26 25 26 25 26 27 28 29 27 28 -63.7048 -1.1759 151.5195 145.5347 -151.9364 0.759 -1.8519 60.677 -146.6276 1.0765 -158.4905 61.2096 -62.8456 137.5874 -2.7125 154.3895 -5.1775 -145.4774 63.4363 -0.0459 -141.6516 -0.0744 -63.5566 154.8377 -154.8312 141.6866 0.0809 63.5308 0.2507 -149.2338 -143.1588 153.561 4.0766 2.7645 -60.5157 149.9999 4.1989 -64.2739 152.0229 66.8358 -1.637 -145.3402 -145.3134 146.2138 2.5106 -0.7977 62.9781 -147.4385 -63.0988 0.6771 150.2605 141.5073 -154.7168 -5.1334 0.8316 -63.2185 148.8188 63.3359 -0.7142 -148.6769 -148.2296 147.7203 -0.2424 1.1265 151.9718 -60.7201 63.7203 -145.4343 1.8738 -151.1045 -0.2592 147.0489 63.0842 -0.7246 -150.3652 0.7538 -63.0549 147.3044 -141.6561 154.5352 4.8945 -21.0729 -142.8319 93.2861 -159.5317 78.7093 -45.1727 125.0067 3.2477 -120.6343 -89.5218 148.7192 24.8372 49.1819 -72.5771 163.5409 -63.1103 0.2853 153.5191 0.5201 63.9157 -142.8506 148.1149 -148.4895 4.7442 -0.131 -153.5662 60.582 -63.4169 143.1479 -2.7039 149.4787 -3.9565 -149.8082 -147.8086 60.886 3.056 148.3161 -2.9894 -60.8193 -0.4768 -151.7822 150.3879 -0.3756 153.2994 -60.8238 63.2935 -143.0315 2.8453 -149.954 3.721 149.5978 -0.5468 62.7771 -154.6341 159.0097 -137.6664 4.9224 -60.5684 2.7555 145.3443 147.7329 -148.3883 0.6006 -60.8537 3.0251 152.014 -3.0098 60.869 -150.1421 4.9407 -66.5998 143.6739 66.6263 -4.9142 -154.6405 -137.7956 150.6639 0.9377 66.6089 -4.8693 -143.5883 4.6069 -66.8713 154.4097 -150.4544 138.0673 -0.6517 -0.1828 63.6039 -150.9517 151.0053 -145.208 0.2364 -61.5759 2.2107 147.6552 -63.3046 -0.0937 141.4573 -0.0761 63.1347 -155.3143 155.1976 -141.5916 -0.0406 -63.2627 0.4994 149.9929 142.9689 -153.269 -3.7755 -2.8629 60.8993 -149.6072 -4.5424 -152.3697 64.0374 -66.6475 145.5252 1.9323 145.4459 -2.3814 -145.9743 0.0405 -151.1839 61.4952 -63.6781 145.0975 -2.2235 150.7994 -0.425 -147.746 -0.3312 -63.9613 148.2314 63.0952 -0.5348 -148.3421 -153.5248 142.8451 -4.9622 62.8771 -137.5138 2.782 -1.1143 158.4947 -61.2094 -154.5119 5.0972 145.393 -4.1916 64.2407 -152.0512 -66.8779 1.5545 145.2626 145.2846 -146.283 -2.5749 -62.6579 0.6571 154.7656 137.7067 -158.9783 -4.8698 -2.6091 60.7059 -145.1856 -66.6838 4.8621 154.5702 -4.9682 66.5777 -143.7142 137.821 -150.6331 -0.925 -4.6451 66.8566 -154.4175 -66.6895 4.8122 143.5381 150.5111 -137.9872 0.7387 66.6417 -145.4783 -1.9667 4.5872 152.4672 -64.0212 -145.344 2.536 146.0476 -0.2025 -69.4095 145.1906 69.4862 0.2792 -145.1207 -145.4098 145.3832 -0.0168 64.8709 -115.8221 -55.9741 123.3329 -171.8158 7.4911 179.6332 1.559 -89.492 -1.0768 -179.151 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 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0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 def2TZVPP (5D, 7F) 1235 A 1063 A 1063 1974 1235 169 168 6091.0491058996 32 32 32 1.00e+00 60 F 0.000000 1.794968 0.000000 2.886785 1.800256 0.000000 1.783716 2.912373 3.408970 0.000000 2.882314 2.910747 2.897259 1.784509 0.000000 2.884257 1.800668 1.789562 2.890987 1.786083 0.000000 1.783606 1.793715 1.778935 2.896581 3.392966 2.883053 0.000000 2.896092 2.911699 1.778573 2.919228 2.903373 2.889752 1.783924 0.000000 3.393092 2.911452 1.786967 2.902778 1.796385 1.786204 2.882617 1.784128 0.000000 1.778323 1.799306 2.895738 1.779072 1.786462 1.790814 2.884999 3.407929 2.897293 0.000000 2.133869 3.504808 4.858613 3.370535 4.831546 4.891860 3.410394 4.789734 5.520255 3.479432 0.000000 4.836054 3.444562 2.137051 5.545737 4.858792 3.457738 3.412021 3.396556 3.433502 4.860600 6.561889 0.000000 3.459196 4.919519 5.515326 2.123699 3.460530 4.902708 4.786825 4.735103 4.794778 3.556756 4.003370 7.647262 0.000000 4.828234 4.912893 4.868057 3.367093 2.129301 3.509205 5.515290 4.792622 3.418880 3.487815 6.517053 6.595550 4.002714 0.000000 4.880543 3.511261 3.459503 4.824738 3.373525 2.143628 4.878530 4.822424 3.372920 3.462562 6.692386 4.127156 6.616040 4.082331 0.000000 3.409265 3.504093 3.480861 4.789129 5.520003 4.891114 2.133835 3.370760 4.832312 4.856456 3.965906 4.117178 6.352621 7.633948 6.690605 0.000000 4.786494 4.919239 3.556080 4.734506 4.794815 4.900950 3.460438 2.123635 3.458980 5.514165 6.354236 4.253968 6.134639 6.360043 6.612172 4.005788 0.000000 5.514940 4.914229 3.489310 4.790120 3.417189 3.509245 4.829468 3.367533 2.129054 4.867449 7.633655 4.161632 6.357351 3.979974 4.081357 6.519930 4.001622 0.000000 3.409534 3.441191 4.860382 3.399156 3.436961 3.460531 4.832502 5.545726 4.861654 2.138097 4.109925 6.580416 4.257755 4.164941 4.134566 6.555821 7.647287 6.598815 0.000000 2.740458 3.244873 2.742445 1.715859 1.696220 2.734540 2.741252 1.716855 1.695506 2.741796 4.652457 4.710458 3.321775 3.334099 4.662462 4.652763 3.321774 3.332028 4.712663 0.000000 3.654249 4.322201 3.699987 2.382592 2.433434 3.720139 3.654982 2.383116 2.432045 3.699928 5.371050 5.519740 3.330737 3.460944 5.495993 5.371117 3.329851 3.456971 5.523528 1.080661 0.000000 2.908599 1.595356 2.994721 4.331808 4.392169 3.054312 2.903430 4.326897 4.390528 2.999912 3.814189 3.844500 6.165534 6.247802 4.060477 3.806750 6.159264 6.246067 3.848719 4.835360 5.909438 0.000000 2.847264 2.181242 3.841762 4.378611 4.774002 3.735221 3.338415 4.914337 5.085927 3.131774 3.135175 4.893254 5.945455 6.560336 4.815570 4.073444 6.769435 7.061424 3.556155 5.224287 6.267062 1.095788 0.000000 4.165534 2.633017 3.731241 5.301184 4.944846 3.382993 4.190591 5.334424 4.968387 3.682497 5.120408 4.135965 7.132320 6.502821 3.509214 5.167468 7.185045 6.543411 4.030538 5.740889 6.816630 1.493779 2.115283 0.000000 4.375256 3.015076 4.243164 5.264142 4.806728 3.414829 4.754057 5.777801 5.158583 3.516928 5.300375 4.905929 6.942619 6.089469 3.218043 5.983663 7.754296 6.697902 3.350705 5.876801 6.925942 2.204714 2.512875 1.085337 0.000000 5.305336 3.659923 4.328187 6.465288 5.968659 4.263067 4.989347 6.040628 5.689980 4.897906 6.268011 4.045519 8.379516 7.497378 4.005998 5.663763 7.685698 7.001975 5.316319 6.683052 7.745544 2.499185 3.204710 1.332831 2.089523 0.000000 6.219079 4.557139 5.156748 7.246075 6.581622 4.880193 5.980387 6.910580 6.357436 5.593918 7.197680 4.746538 9.125581 7.894745 4.138889 6.735085 8.562077 7.477773 5.758610 7.458488 8.504830 3.484485 4.107047 2.108305 2.424805 1.081597 0.000000 5.520073 3.900876 4.310076 6.805621 6.400521 4.675744 4.889725 5.965684 5.863821 5.404130 6.453969 3.634186 8.783227 8.086015 4.664738 5.204297 7.390424 7.128563 6.107820 6.866551 7.911472 2.750299 3.527169 2.108135 3.063381 1.083508 1.851077 0.000000 6.344154 5.343650 6.645013 7.815473 7.913417 6.533841 6.531226 8.064646 8.067306 6.341279 6.234190 6.756457 9.314788 9.460404 6.644443 6.651629 9.752295 9.745377 6.049548 8.570580 9.641970 3.771479 3.497971 3.250184 3.558835 3.156424 3.423011 3.426029 0.000000 3.392925 2.198091 3.121111 4.954175 5.096868 3.724925 2.880189 4.391545 4.770169 3.865818 4.151987 3.514052 6.819758 7.066282 4.776117 3.177385 5.955998 6.542334 4.911845 5.246360 6.290460 1.093604 1.754644 2.123306 3.077693 2.609458 3.687759 2.406789 3.803297 0.000000 2.431681 3.741223 3.698307 2.383278 3.659179 4.297421 2.432660 2.383340 3.658386 3.697631 3.462536 5.507673 3.327261 5.369160 6.434016 3.461768 3.327336 5.367421 5.507348 2.312249 2.586201 5.023119 5.110696 6.334533 6.665904 7.302488 8.259029 7.295700 8.539240 5.160301 0.000000 1.691806 2.757309 2.740949 1.716567 2.746423 3.220138 1.692797 1.716862 2.745976 2.739967 3.333748 4.701524 3.319718 4.652226 5.360026 3.333399 3.319992 4.651183 4.700964 1.615646 2.312126 4.162649 4.367429 5.384931 5.685914 6.363832 7.283903 6.426466 7.805818 4.409045 1.080657 0.000000 C5H7B10I10(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 0 0 0 0 0 0 0 0 1437.2082 AuxInfo=1/0/N:26,24,22,32,20,2,4,8,1,7,5,9,10,3,6,13,17,11,16,14,18,19,12,15;29/E:(7,8)(9,10)(11,12)(13,14)(16,17)(18,19)(20,21)(22,23);/CRV:1.3,2.3,4.6,5.6,6.6,7.6,8.6,9.6,10.6,11.6,12.6,13.6,14.6,15.6;/rA:32nB6B6B6B6B6B6B6B6B6B6IIIIIIIIIC6HCHC3HC3HHI0HHC6/rB:s1;s2;s1;s4;s2s3s5;s1s2s3;s3s7;s3s5s6s8;s1s2s4s5s6;s1;s3;s4;s5;s6;s7;s8;s9;s10;s4s5s8s9;s20;s2;s22;s22;s24;s24;s26;s26;;s22;;s1s4s7s8s20s31;/rC:.4392,.7331,1.454;.9504,-.2016,.0093;-.3095,-1.4563,-.2721;-1.0943,1.5684,1.0902;-1.5682,1.1356,-.5749;-.3196,.0471,-1.2428;.1567,-1.0268,1.39;-1.5575,-1.3119,.9868;-1.8547,-.6366,-.6376;.1513,1.4007,-.169;1.7331,1.5789,2.925;.1707,-3.3722,-1.088;-1.8059,3.2753,2.1345;-2.8111,2.4831,-1.6581;.0053,.0683,-3.3616;1.1036,-2.3343,2.7854;-2.7816,-2.7774,1.9164;-3.448,-1.4431,-1.7969;1.2252,3.1189,-.8515;-2.1711,.2749,.7566;-3.1848,.4255,1.0996;2.5109,-.4514,-.2089;3.0387,.3145,.3704;3.0112,-.4126,-1.6158;2.9408,.5404,-2.1304;3.5392,-1.4579,-2.2523;3.882,-1.3789,-3.2751;3.6123,-2.4271,-1.7734;6.1988,-.3223,-.9876;2.7689,-1.4144,.2405;-1.3833,.07,2.9208;-1.0458,.0527,1.8944; 0.0383107 0.0315028 0.0291115 1 -3420.01429218 0.7566 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=11111111111111111111111111111111 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. 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. There are 99 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 96 vectors produced by pass 0 Test12= 3.04D-13 1.01D-09 XBig12= 8.10D+02 5.74D+00. AX will form 96 AO Fock derivatives at one time. 96 vectors produced by pass 1 Test12= 3.04D-13 1.01D-09 XBig12= 1.41D+02 2.02D+00. 96 vectors produced by pass 2 Test12= 3.04D-13 1.01D-09 XBig12= 4.75D+00 2.51D-01. 96 vectors produced by pass 3 Test12= 3.04D-13 1.01D-09 XBig12= 2.01D-01 4.70D-02. 96 vectors produced by pass 4 Test12= 3.04D-13 1.01D-09 XBig12= 5.26D-03 1.06D-02. 96 vectors produced by pass 5 Test12= 3.04D-13 1.01D-09 XBig12= 9.70D-05 1.63D-03. 96 vectors produced by pass 6 Test12= 3.04D-13 1.01D-09 XBig12= 1.20D-06 6.58D-05. 95 vectors produced by pass 7 Test12= 3.04D-13 1.01D-09 XBig12= 1.43D-08 6.56D-06. 60 vectors produced by pass 8 Test12= 3.04D-13 1.01D-09 XBig12= 1.57D-10 7.11D-07. 3 vectors produced by pass 9 Test12= 3.04D-13 1.01D-09 XBig12= 2.47D-12 1.37D-07. 3 vectors produced by pass 10 Test12= 3.04D-13 1.01D-09 XBig12= 1.22D-13 1.97D-08. 3 vectors produced by pass 11 Test12= 3.04D-13 1.01D-09 XBig12= 4.67D-12 8.03D-08. 3 vectors produced by pass 12 Test12= 3.04D-13 1.01D-09 XBig12= 1.88D-13 2.18D-08. 3 vectors produced by pass 13 Test12= 3.04D-13 1.01D-09 XBig12= 1.14D-12 4.01D-08. 3 vectors produced by pass 14 Test12= 3.04D-13 1.01D-09 XBig12= 1.07D-13 1.60D-08. 3 vectors produced by pass 15 Test12= 3.04D-13 1.01D-09 XBig12= 3.97D-13 2.29D-08. 3 vectors produced by pass 16 Test12= 3.04D-13 1.01D-09 XBig12= 6.90D-14 8.03D-09. 3 vectors produced by pass 17 Test12= 3.04D-13 1.01D-09 XBig12= 3.37D-13 1.88D-08. 3 vectors produced by pass 18 Test12= 3.04D-13 1.01D-09 XBig12= 1.75D-13 1.26D-08. 3 vectors produced by pass 19 Test12= 3.04D-13 1.01D-09 XBig12= 2.59D-13 1.38D-08. 3 vectors produced by pass 20 Test12= 3.04D-13 1.01D-09 XBig12= 2.62D-13 1.46D-08. 3 vectors produced by pass 21 Test12= 3.04D-13 1.01D-09 XBig12= 8.74D-13 2.77D-08. 3 vectors produced by pass 22 Test12= 3.04D-13 1.01D-09 XBig12= 4.21D-13 2.29D-08. 2 vectors produced by pass 23 Test12= 3.04D-13 1.01D-09 XBig12= 1.49D-13 1.35D-08. 1 vectors produced by pass 24 Test12= 3.04D-13 1.01D-09 XBig12= 5.15D-16 1.38D-09. InvSVY: IOpt=1 It= 1 EMax= 2.13D-14 Solved reduced A of dimension 872 with 99 vectors. Isotropic polarizability for W= 0.000000 479.20 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 508.012 2.737 478.681 12.118 3.030 450.900 686.199 6.740 719.390 24.232 5.550 689.194 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 B B B B B B B B B B I I I I I I I I I C H C H C H C H H I H H C 11 11 11 11 11 11 11 11 11 11 127 127 127 127 127 127 127 127 127 13 1 13 1 13 1 13 1 1 127 1 1 13 -0.00004 0.00165 -0.00010 0.00004 0.00001 0.00008 -0.00003 0.00007 0.00000 -0.00004 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00003 -0.00000 -0.00195 0.00106 0.01665 -0.00119 0.01788 -0.00031 -0.00032 0.00003 -0.00001 0.00001 0.00008 -0.05589 2.36554 -0.13741 0.05669 0.01457 0.11724 -0.04920 0.10167 0.00683 -0.05277 0.00021 0.00207 -0.00001 0.00022 0.01107 -0.00001 0.00000 0.00005 -0.00045 -0.03081 -0.02052 -2.18858 4.75944 18.71780 -5.34058 20.10206 -1.38923 -1.43109 0.02585 -0.05832 0.04178 0.09145 -0.01994 0.84408 -0.04903 0.02023 0.00520 0.04183 -0.01756 0.03628 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27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 8.2637 16.4859 36.9902 48.7928 49.3168 52.2683 55.2167 57.4859 60.4090 60.5413 64.5399 65.4234 67.4926 72.1271 72.8363 77.3620 78.7819 81.7349 90.2232 132.6004 143.0751 148.9095 149.2837 152.2663 152.7386 154.7545 157.0401 167.4793 245.8690 295.5845 321.1650 327.8027 350.6376 365.8318 395.4359 414.8792 498.6776 532.5429 537.8127 572.0724 577.2829 588.5805 657.7741 658.5810 679.5481 684.7107 698.2225 708.7182 721.3335 735.6627 737.2468 755.5145 786.8941 803.7746 807.5733 815.2447 855.0366 858.3246 859.8277 891.7890 910.1543 911.0948 918.5292 920.8155 926.7043 945.7599 949.9564 962.6031 971.2588 976.4028 1048.3802 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(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 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