Gaussian 16 GINC-EXP-4-19 KEVINKWY Template file ES64L-G16RevC.01 25-Mar-2025 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 57 57 (5D, 7F) def2SVP RPBE1PBE def2SVP FTS #p opt=(calcfc,ts,modredundant,noeigen,recalc=40,maxstep=10,gdiis) freq scrf=(smd,solvent=acetonitrile) nosymm def2svp em=gd3bj pbe1pbe 1525.4565000000005 0 1 AuxInfo=1/0/N:43,54,39,41,50,52,37,38,48,49,27,30,36,47,26,34,33,35;19,20,21,22;1,2,3,4;7,8,9,10;13,14,15,16;5;6;11;12;17;18;23;24/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14);(3,4);3*(2,3,4);;;;;;;;/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,13.3,14.3,17-1;1.3,3.1,4.1;3*1.3,2.1,3.1,4.1;;;;;;;;/rA:57nC7O4O3O5Cs4Cs7C7O4O3O5Cs8Cs7C5O4O3O3Cs5Cs10C5O4O3O3Cs6Cs7H3CCHHC5HHNCO3C3C3C3C3HC3HC3HHHC3C3C3C3HC3HC3HHH/rB:s1;s1;s1;s1s2s4;s1s3s4;;s7;s7;s6s7;s6s7s9s10;s1s2s3s7s8s10;;s6s11s13;s13;s11s13;s4s6s13s14s15;s1s2s4s7s8s10s12;s18;s18s19;s18s19;s11s19;s7s8s9s19s21s22;s13s15s16s20;s11s20s24;;s26;s27;s27;s24s26;s30;s30;s24s27s30;s26;s5s26s34;s34;s36;s36;s37;s37;s38;s38;s39s41;s39;s41;s43;s34;s47;s47;s48;s48;s49;s49;s50s52;s50;s52;s54;/rC:-.7722,.5345,-3.7226;-.8048,1.7284,-3.2304;-1.738,.0972,-4.4426;.2356,-.2315,-3.4491;2.0675,2.1561,-3.8293;-1.7636,-2.6364,-3.271;-3.4802,-.6318,.0749;-3.3411,.6365,.291;-4.0948,-1.3765,.9146;-2.9365,-1.1538,-.991;-2.1059,-3.6198,.6661;-3.77,1.3217,-2.6546;1.3015,-3.7778,-.4998;.3745,-3.5323,-1.3475;2.5277,-3.8468,-.8345;.98,-3.9207,.7679;2.3968,-2.2151,-3.3174;-.3384,.5655,-.3824;-.2152,-1.2392,2.4758;.5825,-1.6134,1.4541;-.1988,-.0147,2.7509;-.9295,-2.1157,3.0261;-3.1462,.0912,3.317;3.5665,-2.3375,1.6573;.6292,-2.6547,1.246;4.0515,1.8086,-.5677;5.2795,1.0235,-.8193;5.3072,.5565,-1.8394;6.2563,1.5047,-.6297;3.3439,.5942,-.1068;2.6228,.7237,.7202;2.8557,.0041,-.9272;4.7086,.2049,.2566;3.8914,3.1754,-.0691;3.4766,3.0645,-1.4101;2.7751,3.4414,.915;2.9389,3.2002,2.2849;1.5431,3.9135,.4519;1.8839,3.4169,3.1704;3.8931,2.8283,2.6653;.4892,4.1411,1.3395;1.4202,4.0812,-.6203;.6556,3.8888,2.7018;2.0209,3.211,4.2353;-.4711,4.5062,.9643;-.1716,4.0546,3.397;5.1129,4.0271,.1576;6.0734,3.6713,1.1112;5.282,5.2031,-.5785;7.1822,4.4878,1.3313;5.9613,2.7357,1.6654;6.3893,6.0215,-.3557;4.5385,5.4691,-1.3341;7.341,5.6674,.602;7.9311,4.1969,2.0727;6.5111,6.9408,-.9349;8.2101,6.3071,.7756;/R:/0/N:43,54,39,41,50,52,37,38,48,49,27,36,47,30,26,34,13,19,1,7,5,17,23,24,12,6,11,18,33,35,15,22,21,16,9,3,14,20,2,8,4,10,25/E:(1,2)(3,4,5,6)(7,8,9,10)(12,13)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,12.3,13.3,14.5,17.5,18.5,19.7,20.7,21.4,22.5,23.6,24.7,25.7,26.7,27.8,28.10,30.3,31.3,32.3,33.3,34.3,35.3,36.3,37.4,38.4,39.4,40.4,41.5,42.5,43.3 g16 Output=4Cs_GFN1_000012.log nprocshared=32 mem=62GB #p opt=(calcfc,ts,modredundant,noeigen,recalc=40,maxstep=10,gdiis) fre 1/5=1,8=10,10=4,11=1,18=120,19=11,26=3,38=1,71=40/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=43,7=101,11=2,25=1,30=1,70=32201,71=2,72=2,74=-13,124=41,140=1/1,2,3 4//1 5/5=2,38=5,53=2/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1,31=1/1,2,10 10/6=1,13=1,31=1/2 6/7=2,8=2,9=2,10=2,28=1/1 7/10=1,25=1,30=1/1,2,3,16 1/5=1,8=10,10=4,11=1,18=20,19=11,26=3,71=40/3(3) 2/9=110,15=1/2 7/9=1,25=1,30=1,44=-1/16 99//99 2/9=110,15=1/2 3/5=43,7=101,11=2,25=1,30=1,70=32205,71=2,72=2,74=-13,124=41,140=1/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=2/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1,31=1/1,2,10 10/6=1,13=1,31=1/2 7/10=1,25=1,30=1/1,2,3,16 1/5=1,8=10,11=1,18=20,19=11,26=3,71=40/3(-8) 2/9=110,15=1/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 7/9=1,25=1,30=1,44=-1/16 99/9=1/99 Template file 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 12 16 16 16 133 133 12 16 16 16 133 133 12 16 16 16 133 133 12 16 16 16 133 133 1 12 12 1 1 12 1 1 14 12 16 12 12 12 12 1 12 1 12 1 1 1 12 12 12 12 1 12 1 12 1 1 1 12.0000000 15.9949146 15.9949146 15.9949146 132.9054290 132.9054290 12.0000000 15.9949146 15.9949146 15.9949146 132.9054290 132.9054290 12.0000000 15.9949146 15.9949146 15.9949146 132.9054290 132.9054290 12.0000000 15.9949146 15.9949146 15.9949146 132.9054290 132.9054290 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 14.0030740 12.0000000 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 2 0 0 0 0 0 0 1 0 1 0 1 1 1 0 0 0 0 1 0 1 0 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /cm/shared/apps/spack/cpu/opt/spack/linux-centos8-zen/gcc-8.3.1/gaussian-16.C.01-po5bqktfeugvmjyga3v7eigbecnokxng/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 R91 R92 R93 R94 R95 R96 R97 R98 R99 R100 R101 R102 R103 R104 R105 1 1 1 1 1 1 1 2 2 2 3 3 4 4 4 4 5 6 6 6 6 7 7 7 7 7 7 7 8 8 8 9 9 10 10 10 11 11 11 11 11 11 11 12 13 13 13 13 13 14 15 15 16 18 18 18 18 18 19 19 19 19 20 20 21 22 24 24 24 26 26 26 26 26 27 27 27 30 30 30 34 34 34 36 36 37 37 38 38 39 39 41 41 43 47 47 48 48 49 49 50 50 52 52 54 2 3 4 5 6 12 18 5 12 18 6 12 5 6 17 18 35 10 11 14 17 8 9 10 11 12 18 23 12 18 23 11 23 11 12 18 13 14 16 19 20 22 25 18 14 15 16 17 24 17 17 24 24 19 20 21 30 31 20 21 22 23 24 25 23 23 25 30 33 27 30 33 34 35 28 29 33 31 32 33 35 36 47 37 38 39 40 41 42 43 44 43 45 46 48 49 50 51 52 53 54 55 54 56 57 1.2917 1.2816 1.2951 3.2718 3.3528 3.2783 3.3684 2.9651 3.0478 3.1114 2.9742 2.9707 3.0333 3.1324 2.9365 3.2202 2.9434 2.9617 4.0725 3.0123 4.1819 1.2941 1.2796 1.3055 3.3416 3.369 3.3932 3.3384 3.0544 3.0781 3.0809 3.0083 2.9708 3.085 3.0968 3.1744 3.6048 3.196 3.1022 3.5379 3.4458 3.0357 2.9578 4.1845 1.28 1.2729 1.3155 3.403 3.4435 3.1153 2.9739 3.0929 3.1603 3.3825 2.9947 3.1896 3.6927 3.1638 1.3492 1.2551 1.2575 3.3269 3.0773 1.0629 3.0031 3.1414 2.9828 3.4287 3.1193 1.4791 1.4791 1.9191 1.4637 1.6178 1.1223 1.1052 1.4674 1.1049 1.1223 1.4649 1.408 1.5117 1.5062 1.4006 1.3983 1.3943 1.0924 1.3966 1.0922 1.3968 1.0933 1.3954 1.0938 1.0932 1.3994 1.3977 1.3945 1.0932 1.3948 1.093 1.3959 1.0932 1.3958 1.0934 1.093 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 A190 A191 A192 A193 A194 A195 A196 A197 A198 A199 A200 A201 A202 A203 A204 A205 A206 A207 A208 A209 A210 A211 A212 A213 A214 A215 A216 A217 A218 A219 A220 A221 A222 A223 A224 A225 A226 A227 A228 A229 A230 A231 A232 A233 A234 A235 A236 A237 A238 A239 A240 A241 A242 A243 A244 A245 A246 A247 A248 A249 A250 A251 A252 A253 A254 A255 A256 A257 A258 A259 A260 A261 A262 A263 A264 A265 A266 A267 A268 A269 A270 A271 A272 A273 A274 A275 A276 A277 A278 A279 A280 A281 A282 A283 A284 A285 A286 A287 A288 A289 A290 A291 A292 A293 A294 2 2 2 3 3 3 4 5 5 5 6 6 5 6 5 5 6 17 1 2 2 4 1 1 1 1 3 3 3 3 3 4 4 4 10 10 11 8 8 8 9 9 9 10 11 11 11 12 18 18 11 6 6 11 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 13 13 13 13 14 14 14 14 14 16 16 16 16 19 20 22 1 1 1 2 2 2 2 3 3 3 3 8 11 11 14 14 14 15 16 17 11 17 11 4 4 4 6 6 14 1 1 1 1 1 1 1 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 7 7 7 7 7 8 8 8 8 8 8 10 10 10 10 10 12 12 12 12 12 19 19 20 20 20 21 21 11 11 11 18 18 20 20 20 21 11 11 18 18 19 19 18 11 7 7 7 8 8 8 8 9 9 9 21 13 13 13 13 15 15 15 15 15 16 16 16 16 20 20 25 25 27 27 27 30 30 33 26 26 28 28 29 18 18 18 18 24 24 24 26 26 31 31 32 24 24 27 26 26 35 35 36 5 5 34 34 37 36 36 39 36 36 41 37 37 43 38 38 43 39 39 41 34 34 48 47 47 50 47 47 52 48 48 54 49 49 54 50 50 52 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 4 5 5 5 5 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 8 9 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 14 15 16 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 21 22 23 23 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 26 26 26 26 26 26 27 27 27 27 27 30 30 30 30 30 30 30 30 30 30 30 30 33 33 33 34 34 34 34 34 35 35 36 36 36 37 37 37 38 38 38 39 39 39 41 41 41 43 43 43 47 47 47 48 48 48 49 49 49 50 50 50 52 52 52 54 54 54 3 4 6 4 5 18 12 6 12 18 12 18 18 12 17 18 18 18 35 4 35 35 10 11 14 17 4 10 11 14 17 10 11 14 14 17 17 9 10 11 10 12 18 23 12 18 23 23 23 23 23 12 18 18 7 9 13 16 19 20 22 25 13 14 16 19 20 22 25 10 13 14 16 19 20 22 25 13 14 16 19 20 22 25 19 20 22 25 16 19 20 22 25 19 20 22 25 25 22 25 7 8 10 3 7 8 10 7 8 10 18 10 17 24 15 16 24 16 17 24 17 24 24 13 14 15 13 15 15 7 8 10 19 20 30 31 4 7 8 10 20 30 31 7 8 10 12 19 20 21 30 31 19 20 21 30 31 10 19 20 21 30 31 19 20 21 30 31 19 20 21 30 31 30 31 21 30 31 30 31 18 21 23 22 23 21 22 23 22 18 24 24 25 24 25 23 23 19 21 22 9 19 21 22 19 21 22 22 20 25 30 33 16 20 25 30 33 20 25 30 33 30 33 30 33 30 34 35 34 35 34 28 29 29 33 33 24 26 32 33 26 31 32 31 32 32 33 33 26 27 30 36 47 36 47 47 26 34 37 38 38 39 40 40 41 42 42 43 44 44 43 45 45 41 46 46 48 49 49 50 51 51 52 53 53 54 55 55 54 56 56 52 57 57 120.6885 119.0669 144.6162 120.2187 143.6001 131.0932 141.7057 136.8665 133.2579 85.1811 84.998 85.0215 95.3689 97.8085 95.3284 91.8452 91.2655 104.8125 122.7979 43.6228 110.0165 115.407 75.3688 112.5485 99.0577 66.9879 42.8175 81.1753 127.1214 121.2523 83.9441 84.9652 107.0992 79.1441 86.4684 110.6161 96.815 120.8281 118.9138 143.385 120.2032 145.8723 137.6052 146.9144 134.2015 87.6253 88.8946 132.0529 87.8128 98.5718 102.9514 95.3463 95.4272 96.2927 69.3654 87.4401 67.5716 88.3684 106.6841 90.8524 126.8222 91.8916 111.7603 100.558 120.1081 73.0578 80.8314 81.5961 97.077 43.1366 133.183 123.0052 136.6583 79.0053 93.5953 79.7751 110.5991 96.6507 81.2946 111.2834 83.1526 82.383 97.2301 95.3618 71.9284 50.3591 84.6566 37.2161 41.5234 83.633 61.4868 100.1073 52.9097 61.1115 43.3559 68.7216 26.5389 35.51 39.7736 47.747 92.6399 97.5809 74.749 43.5999 98.4391 94.3327 86.9228 100.9409 113.0745 79.0325 72.0256 42.6813 123.4959 113.628 122.2711 118.8159 144.1958 118.8752 157.8712 96.5968 156.0304 114.8142 140.7836 96.3434 80.5745 116.1351 67.9368 88.8125 43.0027 90.6394 95.2505 72.5119 146.8973 129.8662 101.6832 117.8132 41.1919 96.6872 92.6016 84.5054 151.5621 102.4093 116.1441 101.8924 112.8259 80.1689 70.9607 131.7729 110.4331 151.9703 83.9868 100.22 74.429 86.866 81.0204 156.3461 146.8557 41.9286 82.1249 100.5212 80.3274 162.9895 146.6841 84.4234 88.5762 97.2158 146.5806 149.3098 125.8103 135.7767 127.0247 148.9674 161.3992 84.5347 72.4277 41.5636 69.7111 62.2792 83.3657 68.0243 84.6826 140.8536 85.8491 136.133 88.1773 115.3953 118.2893 145.413 126.2638 92.4949 129.3918 120.6553 127.3196 126.0539 116.4854 97.806 98.433 75.8767 84.6913 80.1259 43.3628 83.0036 83.2926 94.4758 83.0652 98.2502 78.6576 42.713 54.4961 38.871 89.5797 107.486 41.7479 74.689 60.4154 88.9079 99.1452 46.027 26.1035 103.3225 125.5638 72.6571 97.6794 87.4821 112.6633 90.8217 130.1224 128.2059 127.4633 129.0213 132.1825 113.327 118.261 108.3763 116.3531 117.4443 95.5366 117.3959 60.498 160.9812 146.2283 75.9616 87.4096 116.6931 114.332 108.9553 116.9667 116.5451 138.4662 157.8669 91.8521 117.8286 119.3797 114.6022 115.2638 113.6603 111.0084 161.4618 121.3364 119.6323 119.0197 120.3887 120.0887 119.5182 120.6272 118.4311 120.9317 120.3257 119.6358 120.038 120.0676 119.9307 119.9979 119.5671 120.2209 120.2113 121.0268 119.6439 119.3209 120.297 119.5128 120.1731 120.3725 119.115 120.5115 120.1812 119.7319 120.0854 120.1341 119.8101 120.0557 119.6904 120.1319 120.1764 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 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 A295 A296 A297 A298 A299 A300 A301 A302 A303 A304 A305 A306 A307 A308 A309 A310 A311 A312 A313 A314 A315 A316 A317 A318 A319 A320 5 1 5 12 6 11 11 6 1 2 2 11 33 5 1 5 12 6 11 11 6 1 2 2 11 33 2 4 4 8 10 10 13 14 18 18 18 25 26 2 4 4 8 10 10 13 14 18 18 18 25 26 12 17 6 23 7 12 15 13 21 19 21 24 35 12 17 6 23 7 12 15 13 21 19 21 24 35 4 5 18 7 2 8 1 5 7 4 4 16 4 4 5 18 7 2 8 1 5 7 4 4 16 4 -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 -2 180.6229 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 184.0658 183.1107 182.3543 186.27 180.0019 182.8161 174.7458 171.6598 172.9647 193.1621 166.5521 175.1215 180.8341 190.2015 176.7111 184.7341 181.6765 179.9931 177.5981 176.4548 171.3061 193.7888 180.2171 181.3348 184.0454 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 D340 D341 D342 D343 D344 D345 D346 D347 D348 D349 D350 D351 D352 D353 D354 D355 D356 D357 D358 D359 D360 D361 D362 D363 D364 D365 D366 D367 D368 D369 D370 D371 D372 D373 D374 D375 D376 D377 D378 D379 D380 D381 D382 D383 D384 D385 D386 D387 D388 D389 D390 D391 D392 D393 D394 D395 D396 D397 D398 D399 D400 D401 D402 D403 D404 D405 D406 D407 D408 D409 D410 D411 D412 D413 D414 D415 D416 D417 D418 D419 D420 D421 D422 D423 D424 D425 D426 D427 D428 D429 D430 D431 D432 D433 D434 D435 D436 D437 D438 D439 D440 D441 D442 D443 D444 D445 D446 D447 D448 D449 D450 D451 D452 D453 D454 D455 D456 D457 D458 D459 D460 D461 D462 D463 D464 D465 D466 D467 D468 D469 D470 D471 D472 D473 D474 D475 D476 D477 D478 D479 D480 D481 D482 D483 D484 D485 D486 D487 D488 D489 D490 D491 D492 D493 D494 D495 D496 D497 D498 D499 D500 D501 D502 D503 D504 D505 D506 D507 D508 D509 D510 D511 D512 D513 D514 D515 D516 D517 D518 D519 D520 D521 D522 D523 D524 D525 D526 D527 D528 D529 D530 D531 D532 D533 D534 D535 D536 D537 D538 D539 D540 D541 D542 D543 D544 D545 D546 D547 D548 D549 D550 D551 D552 D553 D554 D555 D556 D557 D558 D559 D560 D561 D562 D563 D564 D565 D566 D567 D568 D569 D570 D571 D572 D573 D574 D575 D576 D577 D578 D579 D580 D581 D582 D583 D584 D585 D586 D587 D588 D589 D590 D591 D592 D593 D594 D595 D596 D597 D598 D599 D600 D601 D602 D603 D604 D605 D606 D607 D608 D609 D610 D611 D612 D613 D614 D615 D616 D617 D618 D619 D620 D621 D622 D623 D624 D625 D626 D627 D628 D629 D630 D631 D632 D633 D634 D635 D636 D637 D638 D639 D640 D641 D642 D643 D644 D645 D646 D647 D648 D649 D650 D651 D652 D653 D654 D655 D656 D657 D658 D659 D660 D661 D662 D663 D664 D665 D666 D667 D668 D669 D670 D671 D672 D673 D674 D675 D676 D677 D678 D679 D680 D681 D682 D683 D684 D685 D686 D687 D688 D689 D690 D691 D692 D693 D694 D695 D696 D697 D698 D699 D700 D701 D702 D703 D704 D705 D706 D707 D708 D709 D710 D711 D712 D713 D714 D715 D716 D717 D718 D719 D720 D721 D722 D723 D724 D725 D726 D727 D728 D729 D730 D731 D732 D733 D734 D735 D736 D737 D738 D739 D740 D741 D742 D743 D744 D745 D746 D747 D748 D749 D750 D751 D752 D753 D754 D755 D756 D757 D758 D759 D760 D761 D762 D763 D764 D765 D766 D767 D768 D769 D770 D771 D772 D773 D774 D775 D776 D777 D778 D779 D780 D781 D782 D783 D784 D785 D786 D787 D788 D789 D790 D791 D792 D793 2 2 2 3 3 3 12 12 12 3 6 12 18 2 2 2 2 5 5 5 5 12 12 12 12 18 18 18 18 4 4 4 5 5 5 6 6 6 3 3 3 3 3 3 3 5 5 5 5 5 5 5 6 6 6 6 6 6 6 18 18 4 4 4 4 35 35 35 35 5 5 5 5 5 5 5 12 12 12 12 12 6 6 6 6 6 17 17 18 18 18 18 18 18 5 5 5 18 18 18 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 17 17 17 17 17 17 17 17 17 17 1 1 2 2 4 4 1 1 1 3 3 3 4 4 4 14 14 14 17 17 17 1 1 3 3 4 4 14 14 17 17 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 17 17 17 17 17 17 17 17 1 1 1 3 3 3 4 4 4 10 10 10 1 1 3 3 10 10 11 11 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 18 18 18 18 18 18 18 18 23 23 23 23 23 23 23 23 9 9 9 11 11 11 23 23 23 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 23 23 23 23 23 23 23 23 10 10 10 11 11 11 12 12 12 18 18 18 6 6 6 6 6 7 7 7 7 7 9 9 9 9 9 10 10 10 10 10 13 13 13 13 14 14 14 14 14 16 16 16 16 19 19 19 19 19 22 22 22 22 22 1 1 1 1 2 2 2 2 3 3 3 3 10 10 10 10 23 23 23 23 23 23 23 23 23 18 18 18 18 23 23 23 23 23 23 23 23 23 11 11 11 11 18 18 18 18 18 18 18 18 6 6 6 6 6 6 6 6 6 6 6 6 6 11 11 11 11 11 11 11 11 11 6 6 7 7 9 9 10 10 19 19 20 20 22 22 25 25 7 9 10 16 19 20 22 25 6 7 9 10 14 19 20 22 25 6 6 6 7 7 7 9 9 9 10 10 10 13 13 13 14 14 14 16 16 16 25 25 25 6 6 7 7 9 9 10 10 13 13 14 14 16 16 22 22 6 7 9 10 13 14 16 20 25 3 3 3 3 3 3 11 11 16 16 24 24 11 11 11 11 14 14 14 14 17 17 17 17 11 11 24 24 24 17 17 17 17 17 11 11 11 11 11 1 1 1 4 4 4 7 7 7 8 8 8 10 10 10 12 12 12 30 30 30 31 31 31 1 1 1 2 2 2 4 4 4 7 7 7 8 8 8 10 10 10 12 12 12 21 21 21 30 30 30 31 31 31 4 7 8 10 12 20 30 31 1 1 1 1 2 2 2 2 4 4 4 4 7 7 7 7 8 8 8 8 10 10 10 10 12 12 12 12 19 19 19 19 20 20 20 20 21 21 21 21 21 21 22 22 23 23 11 11 11 18 18 18 20 20 20 11 11 11 11 11 18 18 18 18 18 19 19 19 19 19 24 18 18 18 18 11 11 11 11 13 13 13 13 15 15 15 15 16 16 16 16 20 20 20 20 25 25 25 25 13 13 15 15 16 16 20 20 25 25 30 30 34 34 35 35 27 27 27 27 34 34 34 34 35 35 35 35 34 27 27 30 30 33 33 27 30 28 28 29 29 18 31 32 36 47 26 26 35 35 47 47 26 26 35 35 36 36 34 34 38 38 34 34 37 37 36 36 40 40 36 36 42 42 37 37 44 44 38 38 45 45 34 34 49 49 34 34 48 48 47 47 51 51 47 47 53 53 48 48 55 55 49 49 56 56 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5 5 5 5 5 5 5 5 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 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 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 14 14 15 15 15 15 15 15 15 15 16 16 16 16 16 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 27 27 27 27 30 30 30 34 34 34 34 34 34 34 34 34 34 34 34 34 34 36 36 36 36 36 36 36 36 37 37 37 37 38 38 38 38 39 39 39 39 41 41 41 41 47 47 47 47 47 47 47 47 48 48 48 48 49 49 49 49 50 50 50 50 52 52 52 52 17 17 17 17 17 17 17 17 17 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 12 12 12 12 12 12 12 12 12 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 5 5 12 12 12 12 12 12 12 12 18 18 18 18 18 18 18 6 6 6 6 6 12 12 12 12 12 5 5 5 5 6 6 6 6 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 35 35 35 35 35 35 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 13 13 13 17 17 17 17 17 17 17 17 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 23 23 23 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 18 18 18 18 18 18 18 18 18 23 23 23 23 11 11 11 11 11 11 11 11 11 23 23 23 23 11 11 11 11 11 11 11 11 12 12 12 12 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 16 16 16 16 16 16 16 16 16 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 22 22 22 22 22 22 22 22 22 18 18 18 18 18 18 17 17 17 17 17 17 24 24 24 24 24 24 24 24 24 24 24 24 17 17 17 17 17 24 24 24 24 24 24 24 24 24 24 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 20 20 20 20 20 20 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 25 23 23 23 23 23 23 23 23 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 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22 25 1 2 3 1 2 3 1 2 3 1 2 4 19 20 21 30 31 1 2 4 19 20 21 30 31 1 2 4 19 20 21 30 31 19 21 22 19 21 22 19 21 22 19 21 22 13 15 16 30 33 13 15 16 30 33 13 15 16 30 33 13 15 16 30 33 15 16 30 33 13 15 16 30 33 13 15 30 33 13 15 16 30 33 13 15 16 30 33 9 19 21 22 9 19 21 22 9 19 21 22 9 19 21 22 1 2 4 10 19 20 21 30 31 9 19 21 22 6 10 13 14 16 19 20 22 25 8 19 21 22 9 13 14 16 19 20 22 25 1 2 3 8 1 2 4 8 19 20 21 30 31 1 2 4 8 19 20 21 30 31 17 24 17 24 17 24 17 24 17 24 17 24 17 24 17 24 17 17 17 17 17 17 17 17 24 24 24 24 24 24 24 24 24 18 21 23 18 21 23 18 21 23 18 21 23 18 21 23 18 21 23 18 21 23 18 21 23 18 24 18 24 18 24 18 24 18 24 18 24 18 24 18 24 23 23 23 23 23 23 23 23 23 4 19 20 21 30 31 4 6 4 6 4 6 20 25 30 33 20 25 30 33 20 25 30 33 4 15 4 6 14 16 20 25 30 33 15 20 25 30 33 11 22 23 11 22 23 11 22 23 11 22 23 11 22 23 11 22 23 11 22 23 11 22 23 11 24 25 11 24 25 11 24 25 11 24 25 11 24 25 11 24 25 11 24 25 11 24 25 11 24 25 11 24 25 23 23 23 23 23 23 23 23 24 26 32 33 24 26 32 33 24 26 32 33 24 26 32 33 24 26 32 33 24 26 32 33 24 26 32 33 24 26 32 33 24 26 32 33 24 26 32 33 24 25 24 25 24 25 7 8 9 7 8 9 7 8 9 13 15 16 30 33 13 15 16 30 33 13 15 16 30 33 11 7 8 9 22 7 8 9 21 18 26 31 32 18 26 31 32 18 26 31 32 18 26 31 32 18 26 31 32 26 27 26 27 26 27 26 27 26 27 28 29 28 29 28 29 18 24 31 32 18 24 31 32 18 24 31 32 24 36 47 36 47 36 47 5 5 24 30 24 30 27 27 27 5 5 37 38 37 38 37 38 48 49 48 49 48 49 39 40 39 40 41 42 41 42 43 44 43 44 43 45 43 45 41 46 41 46 39 46 39 46 50 51 50 51 52 53 52 53 54 55 54 55 54 56 54 56 52 57 52 57 50 57 50 57 91.4655 106.0868 83.1163 -90.7125 -76.0912 -99.0617 -11.5727 3.0486 -19.9219 170.417 -82.746 63.2758 -5.3003 1.8338 -30.6867 -82.0765 -118.5804 117.4616 84.9411 33.5513 -2.9526 -38.4232 -70.9437 -122.3335 -158.8374 39.9543 7.4338 -43.956 -80.4599 4.5184 26.6323 -9.7597 -106.5782 -84.4642 -120.8563 50.8671 72.9811 36.589 -5.735 -27.6847 7.9968 55.9434 80.7152 153.9388 156.5546 170.894 148.9443 -175.3742 -127.4276 -102.6557 -29.4322 -26.8164 -51.1639 -73.1136 -37.4321 10.5145 35.2864 108.5099 111.1257 68.6002 -37.6376 -41.6245 54.8962 77.2424 35.1662 -147.6035 -51.0828 -28.7366 -70.8128 -66.7433 -167.176 170.7274 -148.0848 -71.3846 -1.2175 8.1428 -112.1608 -20.0472 -38.0816 -100.426 -132.0588 116.4032 25.615 45.5676 19.2679 69.4366 -168.7194 -75.8031 -63.6551 29.2613 104.0884 21.6451 -22.5676 -65.7144 131.0086 146.5237 121.6463 37.6771 53.1922 28.3147 63.4588 150.0228 129.496 156.3504 108.2246 -130.33 -118.8979 -116.7583 -53.1862 -54.8253 -113.2522 -26.6882 -47.215 -20.3607 -68.4865 52.959 64.391 66.5307 130.1027 128.4636 159.4643 -113.9716 -134.4984 -107.6441 -155.7699 -34.3245 -22.8924 -20.7527 42.8193 41.1802 68.5058 20.7503 90.2836 42.528 43.1189 -4.6366 0.0674 -176.2319 -98.0821 -21.8458 161.8549 -119.9953 21.0187 -155.2805 -77.1308 100.3748 -75.9245 2.2253 58.9018 -117.3975 -39.2477 41.1652 -42.9931 19.0992 -65.059 62.0863 -22.0719 141.484 57.3258 99.1677 15.0094 44.8508 58.5421 -80.8803 -78.3082 -19.1774 -35.019 -16.6579 -51.9999 25.1759 38.8671 -100.5552 -97.9831 -38.8524 -54.694 -36.3329 -71.6749 68.3189 82.0101 -57.4122 -54.8401 4.2906 -11.551 6.8101 -28.5319 112.723 126.4142 -13.0081 -10.4361 48.6947 32.8531 51.2142 15.8722 -66.3193 106.2512 19.5888 -63.7867 108.7838 22.1215 -55.0348 117.5357 30.8734 -140.8936 31.6769 -54.9854 125.4008 131.5383 140.5224 146.66 62.3366 68.4742 13.7576 19.8951 -110.8364 -56.9419 -74.964 -35.5228 4.9747 -16.4271 23.832 -21.4786 -2.3169 51.5776 33.5556 72.9968 113.4942 92.0924 132.3515 87.041 -70.772 -16.8776 -34.8996 4.5416 45.0391 23.6373 63.8964 18.5858 -158.6284 -104.734 -122.756 -83.3148 -42.8174 -64.2191 -23.96 -69.2706 -147.9655 -170.5423 -126.3474 -37.8768 -60.4535 -16.2586 109.3732 86.7965 130.9914 148.5666 170.3456 128.9005 -1.4939 18.6714 -22.7395 26.5454 -1.9539 102.7577 124.5366 83.0916 -47.3028 -27.1376 -68.5484 -19.2635 -47.7629 -168.2587 -146.4797 172.0752 41.6808 61.8461 20.4352 69.7201 41.2208 2.6912 23.2967 -19.5776 45.4759 66.0814 23.2071 -111.7007 -91.0952 -133.9695 -42.1895 -21.584 -64.4583 -40.5547 -41.6744 -80.5004 45.55 40.7355 -109.7351 -110.8547 -149.6808 -23.6304 -28.4448 -128.5357 -129.6553 -168.4814 -42.4309 -47.2454 -86.4738 -87.5935 -126.4195 -0.3691 -5.1836 -1.1196 -39.9457 86.1047 81.2903 -17.1056 -18.2252 -57.0513 68.9992 64.1847 39.9457 38.8261 126.0504 121.236 -154.0504 -155.17 166.0039 -67.9456 -72.7601 -177.8495 -178.9692 142.2048 -91.7448 -96.5593 -93.1052 -8.5586 13.6246 -27.6079 -116.2503 -31.7037 -9.5205 -50.753 -75.2483 9.2982 31.4815 -9.751 -37.2475 47.299 69.4823 28.2498 169.0754 -168.4755 154.4797 112.7129 22.3009 36.8714 0.3509 -16.3667 -17.7612 -109.9397 -22.6465 -0.3699 -41.6673 -131.5416 -115.7003 -75.9937 -98.8737 -46.6419 -23.9974 -40.8476 -3.3948 -40.4819 112.459 25.3205 41.4498 3.2926 107.234 -44.7971 -58.5493 -29.2995 26.022 3.6273 40.6307 -7.3897 -42.4649 -62.5091 -19.2526 -162.291 43.5165 63.047 21.6876 163.1457 -112.4387 -89.3349 -130.0842 -41.2055 -71.8007 128.7123 148.2428 106.8834 -111.6584 -27.2429 -4.139 -44.8884 43.9903 13.3952 19.2293 135.3252 -35.6534 80.4425 -43.7937 72.3023 -17.7044 98.3915 -98.2473 17.8486 -92.0463 24.0497 -114.3861 1.7098 -107.8201 8.2758 12.1753 13.2453 24.7959 -111.8273 -59.2185 -61.2232 -71.0603 -78.7528 99.506 34.5966 14.9736 58.2341 105.0009 -10.5994 6.5341 -31.3784 1.9821 16.1634 65.8429 104.7152 -45.4195 4.26 43.1323 -67.7675 -18.088 20.7843 -24.268 25.4114 64.2838 75.0483 124.7277 163.6001 57.6848 107.3643 146.2366 94.6662 144.3457 -176.782 85.0202 134.6997 173.572 41.9144 -92.205 -27.0218 -161.1412 -45.574 -179.6935 -3.8257 -137.9451 101.3946 -32.7248 80.37 -53.7494 128.6332 -5.4862 -114.8726 111.008 82.1081 25.8618 3.1626 42.7793 138.8288 125.1734 152.8544 111.6018 133.4675 3.1489 -125.1692 -96.9264 -152.2636 41.0978 67.2402 21.3873 -18.6567 -63.7443 -103.7882 -102.6928 -142.7367 -25.573 -7.9064 -94.4146 -112.5556 47.7549 65.4215 -21.0867 -39.2277 105.4972 123.1638 36.6556 18.5146 -20.7515 125.6246 -73.518 -114.9664 -110.9973 121.6316 82.3787 97.7951 10.0706 -13.145 -128.9857 -6.9819 -1.9959 -56.1285 -69.4959 -21.8804 -48.7412 -107.8796 -48.0211 -74.8818 -134.0202 44.1528 17.292 -41.8464 65.6547 38.794 -20.3444 23.4823 -3.3784 -62.5168 48.0121 21.1514 -37.987 -124.9259 -151.7866 149.075 -136.1111 -162.9718 137.8898 -61.9584 77.881 -16.2195 -72.012 67.8274 -26.2732 -75.2721 64.5673 -29.5333 26.2557 166.095 71.9945 44.085 -176.0756 89.8238 3.6861 143.5255 49.4249 8.0475 147.8868 53.7863 106.2433 -113.9173 151.9821 -150.3849 -10.5455 -104.6461 -166.3105 -26.4711 -120.5717 -121.5082 -23.0467 -0.3593 -38.8865 1.6693 -118.4854 174.7808 169.0304 -120.2575 67.4834 -36.401 -122.6267 -143.3102 44.4307 -59.4537 -145.6794 -106.245 81.4959 -22.3885 -108.6142 -0.2243 -172.4834 83.6322 -2.5935 65.2767 -106.9825 149.1331 62.9075 -44.3678 143.3731 39.4887 -46.737 -142.0151 45.7258 -58.1586 -144.3843 26.8337 -145.4254 110.6902 24.4645 8.1616 -164.0975 92.0181 5.7924 48.6894 -123.5697 132.5458 46.3202 86.0768 176.2573 -96.3727 -6.1922 166.9876 -102.8319 -42.4577 -64.5159 -20.8142 42.3411 20.2829 63.9846 13.4143 -8.6439 35.0578 32.3665 40.9699 5.1364 134.6849 138.4026 -91.1505 -82.5471 -118.3805 11.168 14.8856 145.644 154.2474 118.4139 -112.0376 -108.3199 -178.8179 23.2481 0.3563 41.1788 104.4332 -26.0035 -43.7969 -3.2146 -118.875 44.8864 -147.5367 95.136 -15.1365 66.4898 -125.9333 116.7394 6.4669 26.9668 -165.4563 77.2164 -33.0561 -7.8024 159.7745 42.4472 -67.8253 6.0566 173.6334 56.3061 -53.9664 54.2345 -46.2808 74.7499 -25.7654 39.2258 -61.2895 -0.8807 -101.3961 13.089 -87.4264 86.7354 -144.8318 -129.4009 -0.9682 -57.6164 70.8163 -154.9859 38.97 144.2445 -86.9718 59.6326 -106.4116 -1.137 127.6466 -11.1052 -177.1494 -71.8748 56.9088 97.6534 -139.7827 5.0995 -7.7592 137.1229 -72.8563 72.0258 79.9594 -51.4433 9.3717 -83.1855 -121.4498 145.9931 160.4805 -144.2162 84.3633 -56.6641 168.575 83.6733 -95.0767 161.3665 -17.3836 -63.1462 118.1038 -63.4955 117.5648 -142.0517 39.0086 82.7649 -96.1747 -178.1853 1.0563 0.5722 179.8138 178.7234 -0.1308 -0.0557 -178.9099 -0.5944 179.1342 -179.8403 -0.1117 -0.4421 -179.7281 178.3832 -0.9028 0.0922 179.7731 -179.6353 0.0456 0.4228 -179.2581 179.7083 0.0274 -178.4477 3.0556 0.4954 -178.0014 178.2936 -2.0651 -0.6643 178.977 0.0585 -179.5035 178.5453 -1.0166 0.2797 -179.831 -179.3565 0.5327 -0.4471 179.9574 179.1134 -0.4822 0.2787 179.8741 -179.6103 -0.0149 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 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|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 0.10000e-02 0.10000e-05 F 57 1.00e+00 60 F IExCor= 1009 DFT=T Ex+Corr=PBE1PBE ExCW=0 ScaHFX= 0.250000 ScaDFX= 0.750000 0.750000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. Berny optimization. saddle point Step number 102 out of a maximum of 342 All quantities printed in internal units (Hartrees-Bohrs-Radians) -0.02170 -0.00029 0.00001 0.00004 0.00011 0.00020 0.00033 0.00039 0.00051 0.00069 0.00087 0.00087 0.00097 0.00117 0.00124 0.00139 0.00153 0.00166 0.00171 0.00178 0.00194 0.00205 0.00215 0.00240 0.00262 0.00274 0.00295 0.00302 0.00316 0.00328 0.00344 0.00361 0.00376 0.00424 0.00428 0.00449 0.00450 0.00470 0.00491 0.00527 0.00549 0.00569 0.00604 0.00636 0.00643 0.00743 0.00767 0.00806 0.00828 0.00846 0.01064 0.01259 0.01336 0.01450 0.01632 0.01671 0.01684 0.01756 0.01797 0.01811 0.01838 0.01964 0.02036 0.02095 0.02169 0.02392 0.02430 0.02476 0.02544 0.02560 0.02598 0.02677 0.02744 0.02968 0.02982 0.03002 0.03039 0.03075 0.03081 0.03163 0.03278 0.03421 0.03736 0.03891 0.04051 0.04350 0.04614 0.04663 0.04728 0.05010 0.05053 0.05285 0.05663 0.05808 0.06279 0.06533 0.07805 0.08093 0.10284 0.10366 0.10429 0.10708 0.10806 0.10975 0.11052 0.11499 0.11940 0.11952 0.12136 0.12317 0.13197 0.13893 0.15097 0.15145 0.16366 0.16733 0.16915 0.18470 0.18756 0.18809 0.18879 0.19087 0.19114 0.19180 0.19456 0.19906 0.20959 0.21167 0.22010 0.22818 0.24486 0.26927 0.26998 0.27896 0.28732 0.29201 0.29758 0.30484 0.30749 0.30836 0.31011 0.31897 0.33908 0.35289 0.36112 0.36159 0.36267 0.36281 0.36309 0.36390 0.36449 0.36515 0.36615 0.36650 0.37467 0.42650 0.42821 0.42906 0.43193 0.48714 0.48881 0.48943 0.49010 0.52666 0.52774 R74 R72 D719 D718 A258 1 -0.50622 0.25935 -0.21328 0.20032 -0.18555 D710 D701 D708 D740 D741 1 2 0.00033599 0.00000031 0.00001053 0.00000035 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 R91 R92 R93 R94 R95 R96 R97 R98 R99 R100 R101 R102 R103 R104 R105 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 A190 A191 A192 A193 A194 A195 A196 A197 A198 A199 A200 A201 A202 A203 A204 A205 A206 A207 A208 A209 A210 A211 A212 A213 A214 A215 A216 A217 A218 A219 A220 A221 A222 A223 A224 A225 A226 A227 A228 A229 A230 A231 A232 A233 A234 A235 A236 A237 A238 A239 A240 A241 A242 A243 A244 A245 A246 A247 A248 A249 A250 A251 A252 A253 A254 A255 A256 A257 A258 A259 A260 A261 A262 A263 A264 A265 A266 A267 A268 A269 A270 A271 A272 A273 A274 A275 A276 A277 A278 A279 A280 A281 A282 A283 A284 A285 A286 A287 A288 A289 A290 A291 A292 A293 A294 A295 A296 A297 A298 A299 A300 A301 A302 A303 A304 A305 A306 A307 A308 A309 A310 A311 A312 A313 A314 A315 A316 A317 A318 A319 A320 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 D340 D341 D342 D343 D344 D345 D346 D347 D348 D349 D350 D351 D352 D353 D354 D355 D356 D357 D358 D359 D360 D361 D362 D363 D364 D365 D366 D367 D368 D369 D370 D371 D372 D373 D374 D375 D376 D377 D378 D379 D380 D381 D382 D383 D384 D385 D386 D387 D388 D389 D390 D391 D392 D393 D394 D395 D396 D397 D398 D399 D400 D401 D402 D403 D404 D405 D406 D407 D408 D409 D410 D411 D412 D413 D414 D415 D416 D417 D418 D419 D420 D421 D422 D423 D424 D425 D426 D427 D428 D429 D430 D431 D432 D433 D434 D435 D436 D437 D438 D439 D440 D441 D442 D443 D444 D445 D446 D447 D448 D449 D450 D451 D452 D453 D454 D455 D456 D457 D458 D459 D460 D461 D462 D463 D464 D465 D466 D467 D468 D469 D470 D471 D472 D473 D474 D475 D476 D477 D478 D479 D480 D481 D482 D483 D484 D485 D486 D487 D488 D489 D490 D491 D492 D493 D494 D495 D496 D497 D498 D499 D500 D501 D502 D503 D504 D505 D506 D507 D508 D509 D510 D511 D512 D513 D514 D515 D516 D517 D518 D519 D520 D521 D522 D523 D524 D525 D526 D527 D528 D529 D530 D531 D532 D533 D534 D535 D536 D537 D538 D539 D540 D541 D542 D543 D544 D545 D546 D547 D548 D549 D550 D551 D552 D553 D554 D555 D556 D557 D558 D559 D560 D561 D562 D563 D564 D565 D566 D567 D568 D569 D570 D571 D572 D573 D574 D575 D576 D577 D578 D579 D580 D581 D582 D583 D584 D585 D586 D587 D588 D589 D590 D591 D592 D593 D594 D595 D596 D597 D598 D599 D600 D601 D602 D603 D604 D605 D606 D607 D608 D609 D610 D611 D612 D613 D614 D615 D616 D617 D618 D619 D620 D621 D622 D623 D624 D625 D626 D627 D628 D629 D630 D631 D632 D633 D634 D635 D636 D637 D638 D639 D640 D641 D642 D643 D644 D645 D646 D647 D648 D649 D650 D651 D652 D653 D654 D655 D656 D657 D658 D659 D660 D661 D662 D663 D664 D665 D666 D667 D668 D669 D670 D671 D672 D673 D674 D675 D676 D677 D678 D679 D680 D681 D682 D683 D684 D685 D686 D687 D688 D689 D690 D691 D692 D693 D694 D695 D696 D697 D698 D699 D700 D701 D702 D703 D704 D705 D706 D707 D708 D709 D710 D711 D712 D713 D714 D715 D716 D717 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2.12300 2.08392 2.07624 2.10212 2.09027 2.09057 2.10667 2.07399 2.10236 2.09953 2.08900 2.09463 2.09511 2.09072 2.09728 2.08662 2.09788 2.09866 2.11379 2.08988 2.07934 2.10144 2.08354 2.09795 2.10311 2.07943 2.10062 2.09797 2.08986 2.09533 2.09681 2.09151 2.09486 2.08765 2.09743 2.09809 3.24549 3.20875 3.15040 3.23698 3.19112 3.03752 3.29183 3.36347 2.93564 3.35509 3.68732 2.42786 3.08638 3.28319 3.05545 3.05159 3.44387 3.25581 3.14757 3.38644 3.46621 3.28098 3.47093 3.09125 3.26462 3.16245 1.52650 1.66010 1.51716 -1.50092 -1.36732 -1.51026 0.02364 0.15724 0.01430 -2.96717 -1.02917 1.59610 0.23057 0.18606 -0.37054 -1.15525 -1.87768 2.15137 1.59477 0.81006 0.08763 -0.60235 -1.15895 -1.94366 -2.66609 0.81848 0.26188 -0.52283 -1.24526 0.04660 0.44326 -0.21195 -1.98508 -1.58841 -2.24362 0.82385 1.22052 0.56531 -0.28072 -0.66857 -0.01426 0.36568 1.36712 2.52067 2.64937 2.81584 2.42799 3.08231 -2.82095 -1.81950 -0.66595 -0.53725 -1.02317 -1.41103 -0.75671 -0.37678 0.62467 1.77822 1.90691 1.14603 -0.25405 -0.67554 0.91826 1.30693 0.56635 -2.01940 -0.42560 -0.03693 -0.77751 -1.13216 -3.02836 2.87716 -2.67666 -0.59617 -0.01749 0.25555 -2.00077 -0.26626 -0.54290 -1.51590 -2.19208 1.94334 0.37112 0.73583 0.25135 1.09122 -2.66286 -0.89464 -1.09176 0.67646 1.86076 0.52467 -0.24920 -0.82730 2.32497 2.45631 2.31680 0.63510 0.76644 0.62693 1.06917 2.41197 2.02936 2.56791 1.77692 -2.40177 -1.99413 -2.02208 -1.15812 -1.11511 -1.98243 -0.63962 -1.02223 -0.48368 -1.27467 0.82983 1.23747 1.20951 2.07347 2.11648 2.74392 -2.19646 -2.57907 -2.04052 -2.83151 -0.72701 -0.31937 -0.34733 0.51663 0.55964 1.09706 -2.15974 1.50015 -1.75665 0.75486 -2.50194 -0.16037 3.09585 -1.72828 -0.55582 2.70040 -2.12373 0.18524 -2.84173 -1.38267 1.50020 -1.52677 -0.06771 0.88217 -2.14480 -0.68575 0.65337 -0.87305 0.25402 -1.27240 0.99182 -0.53460 2.30974 0.78332 1.67774 0.15133 0.72983 0.97688 -1.36175 -1.34366 -0.34866 -0.65426 -0.24323 -0.87587 0.34553 0.59259 -1.74604 -1.72795 -0.73296 -1.03855 -0.62752 -1.26016 1.16626 1.41331 -0.92532 -0.90723 0.08777 -0.21783 0.19320 -0.43944 1.89820 2.14526 -0.19338 -0.17529 0.81971 0.51412 0.92514 0.29251 -1.43030 1.97343 -0.03998 -1.44762 1.95611 -0.05731 -1.16400 2.23973 0.22631 -2.74444 0.65929 -1.35412 2.18280 2.39738 2.40958 2.62416 1.04772 1.26230 0.19877 0.41336 -1.91052 -0.94521 -1.17753 -0.59098 0.16914 -0.14585 0.46482 -0.25229 -0.01544 0.94988 0.71756 1.30410 2.06423 1.74923 2.35990 1.64280 -1.17967 -0.21435 -0.44667 0.13987 0.90000 0.58500 1.19567 0.47857 -2.79880 -1.83349 -2.06581 -1.47926 -0.71914 -1.03414 -0.42346 -1.14057 -2.66172 -3.05512 -2.28341 -0.63067 -1.02407 -0.25236 2.06200 1.66860 2.44031 2.67277 3.06103 2.37136 -0.25700 -0.00826 -0.60821 0.13974 -0.23990 1.96350 2.35176 1.66209 -0.96626 -0.71753 -1.31748 -0.56953 -0.94917 -2.73509 -2.34682 -3.03650 0.61833 0.86707 0.26712 1.01507 0.63543 0.07719 0.40815 -0.31364 0.80336 1.13431 0.41253 -2.05410 -1.72315 -2.44494 -0.64720 -0.31625 -1.03804 -0.25464 -0.40245 -0.84120 0.91809 0.92032 -1.41945 -1.56726 -2.00601 -0.24672 -0.24449 -1.76458 -1.91238 -2.35114 -0.59184 -0.58962 -0.99799 -1.14580 -1.58455 0.17474 0.17697 -0.14781 -0.58656 1.17273 1.17496 -0.26946 -0.41727 -0.85602 0.90327 0.90550 0.58656 0.43875 1.75929 1.76152 -2.19138 -2.33918 -2.77793 -1.01864 -1.01642 -2.49505 -2.64285 -3.08161 -1.32232 -1.32009 -1.53266 -0.08538 0.29334 -0.45457 -1.93007 -0.48279 -0.10407 -0.85198 -1.20871 0.23857 0.61729 -0.13062 -0.59687 0.85041 1.22913 0.48122 3.08946 -2.81452 2.90289 2.03282 0.24876 0.36369 -0.10313 -0.14234 -0.23499 -1.86638 -0.25915 0.11952 -0.62638 -2.29448 -2.05839 -1.33012 -1.61830 -0.85750 -0.37404 -0.59848 -0.06862 -0.63449 1.86906 0.41303 0.65901 0.06671 1.94046 -0.63850 -0.77050 -0.38891 0.59066 0.24017 0.83790 0.06749 -0.66386 -1.01828 -0.25674 -2.69500 0.87183 1.23496 0.51739 2.86162 -2.14418 -1.80796 -2.45822 -1.07088 -1.61968 2.38528 2.74841 2.03084 -1.90811 -0.63073 -0.29450 -0.94477 0.44257 -0.10623 0.30463 2.86309 -0.67187 1.88659 -0.80420 1.75426 -0.33862 2.21984 -1.81586 0.74260 -1.84769 0.71077 -2.00071 0.55775 -2.04171 0.51675 -0.57832 -0.59734 -0.29117 -2.87935 -1.85346 -2.02615 -1.94087 -2.26229 2.30143 1.19641 0.88330 1.60811 2.16468 0.32867 0.48001 0.05595 0.41669 0.13520 1.17530 1.72866 -0.87832 0.16179 0.71515 -1.27490 -0.23479 0.31856 -0.53864 0.50147 1.05483 1.10072 2.14083 2.69419 0.73195 1.77206 2.32542 1.45866 2.49877 3.05213 1.38011 2.42022 2.97358 0.52128 -1.47978 -0.62718 -2.62825 -0.97348 -2.97454 -0.23927 -2.24033 1.40144 -0.59963 0.98349 -1.01757 1.87360 -0.12747 -2.00880 2.27332 1.36014 0.46819 0.06489 0.73166 2.33320 1.99773 2.61388 2.12605 2.37164 0.13596 -2.50146 -2.25109 -2.89225 0.87702 2.03254 0.33393 -0.29988 -1.56948 -2.20330 -2.30877 -2.94258 -0.75551 -0.51226 -1.84219 -2.05208 0.83571 1.07897 -0.25096 -0.46085 1.92630 2.16955 0.83962 0.62973 0.27490 -3.04578 -1.77878 -2.35900 -1.97880 2.13488 1.47081 1.69493 0.44038 0.09135 -2.63850 -0.49354 -0.41828 -1.36013 -1.42714 0.17237 -0.16296 -1.28160 -0.75293 -1.08827 -2.20691 0.84426 0.50893 -0.60971 1.24226 0.90693 -0.21171 0.53351 0.19817 -0.92046 1.12783 0.79250 -0.32614 -2.08701 -2.42235 2.74220 -2.28410 -2.61943 2.54511 -1.02207 0.80376 -0.32914 -1.82170 0.00412 -1.12878 -1.34256 0.48326 -0.64963 0.60992 2.43574 1.30285 0.98377 2.80959 1.67670 0.24239 2.06821 0.93531 0.69817 2.52399 1.39110 1.79135 -2.66601 2.48428 -2.43851 -0.61269 -1.74558 -2.75218 -0.92636 -2.05925 -2.17753 -0.29414 0.09785 -0.50629 0.26145 -2.21126 -3.06277 3.13224 -2.03160 0.77098 -1.19753 1.66352 -2.47167 0.33091 -1.63761 1.22344 -1.84087 0.96171 -1.00681 1.85424 0.41817 -3.06243 1.25224 -2.16989 1.21065 -2.26995 2.04471 -1.37742 -0.32326 2.47932 0.51080 -2.91133 -2.53470 0.26789 -1.70063 1.16042 0.81470 -2.66591 1.64876 -1.77337 0.59678 -2.88382 1.43085 -1.99128 1.17198 -2.30862 2.00605 -1.41608 1.97287 -2.94070 -1.19009 0.17953 -2.86103 -1.49141 -0.69501 -1.09242 -0.32085 0.61363 0.21622 0.98780 0.41503 0.01763 0.78920 0.58565 0.75534 0.11829 2.13156 2.36842 -0.88248 -0.71278 -1.34984 0.66344 0.90030 2.18677 2.35646 1.71941 -2.55050 -2.31364 -3.13218 0.29450 -0.09771 0.61447 1.53793 -0.47078 -0.81127 -0.06664 -2.28028 0.50852 -2.05883 1.58352 -0.32820 0.91498 -1.65237 1.98998 0.07826 0.15701 -2.41034 1.23201 -0.67970 -0.54880 -3.11615 0.52620 -1.38552 -0.28001 -2.84736 0.79499 -1.11673 0.11525 -1.05388 0.49730 -0.67183 -0.20101 -1.37014 -0.82233 -1.99147 -0.62023 -1.78937 1.40291 -2.57771 -2.26463 0.03793 -1.08400 1.21856 -2.57497 0.02057 2.58020 -1.39454 1.07485 -2.61279 -0.05316 2.25528 -0.07397 2.52157 -1.20199 1.10646 2.39864 -2.42691 -0.01173 0.01242 2.42759 -1.19718 1.21799 1.05055 -1.22476 0.07670 -1.37741 -2.22156 2.60752 -1.47705 -2.62289 1.38163 1.21296 -1.07721 1.18124 -1.95389 2.67337 -0.46176 -1.28386 1.86419 -1.04269 2.11907 -2.54653 0.61523 1.41683 -1.70460 -3.13024 -0.01177 0.00492 3.12339 3.14115 0.01902 0.00585 -3.11629 -0.01030 3.12391 -3.12877 0.00544 -0.01128 -3.14022 3.11053 -0.01840 0.00485 3.13967 -3.12934 0.00548 0.00586 -3.12896 3.13475 -0.00007 -3.12022 0.04546 0.00132 -3.11618 3.11388 -0.03460 -0.00794 3.12676 0.00588 -3.13011 3.12319 -0.01280 0.00738 -3.13847 -3.12724 0.01009 -0.00648 3.14086 3.12949 -0.00635 -0.00012 3.13573 -3.13745 -0.00160 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000003 0.000000 0.002685 0.000336 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -1.245295e-07 Optimization completed on the basis of negligible forces. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 R91 R92 R93 R94 R95 R96 R97 R98 R99 R100 R101 R102 R103 R104 R105 1 1 1 1 1 1 1 2 2 2 3 3 4 4 4 4 5 6 6 6 6 7 7 7 7 7 7 7 8 8 8 9 9 10 10 10 11 11 11 11 11 11 11 12 13 13 13 13 13 14 15 15 16 18 18 18 18 18 19 19 19 19 20 20 21 22 24 24 24 26 26 26 26 26 27 27 27 30 30 30 34 34 34 36 36 37 37 38 38 39 39 41 41 43 47 47 48 48 49 49 50 50 52 52 54 2 3 4 5 6 12 18 5 12 18 6 12 5 6 17 18 35 10 11 14 17 8 9 10 11 12 18 23 12 18 23 11 23 11 12 18 13 14 16 19 20 22 25 18 14 15 16 17 24 17 17 24 24 19 20 21 30 31 20 21 22 23 24 25 23 23 25 30 33 27 30 33 34 35 28 29 33 31 32 33 35 36 47 37 38 39 40 41 42 43 44 43 45 46 48 49 50 51 52 53 54 55 54 56 57 1.2914 1.2806 1.2971 3.266 3.31 3.3039 3.3813 2.9723 3.0044 3.1689 2.9817 2.9848 3.0466 3.112 2.9025 3.2296 2.9109 2.9093 4.156 2.9977 4.2234 1.2934 1.2806 1.2953 3.3311 3.318 3.3926 3.329 3.0082 3.0946 2.9928 3.0409 2.9638 3.1388 3.1134 3.1572 3.5163 3.1414 3.0689 3.7677 3.9064 3.0115 3.2581 4.3462 1.2857 1.2776 1.305 3.4248 3.3645 3.1212 2.9639 3.0098 3.0246 3.5481 3.2616 3.6369 3.6446 3.2847 1.358 1.2505 1.2581 3.3659 3.4813 1.0195 3.0325 3.1003 3.1806 3.3749 3.2018 1.4751 1.4695 1.8564 1.4594 1.7382 1.1186 1.1034 1.4733 1.1006 1.1168 1.4767 1.3927 1.5179 1.5142 1.4002 1.3976 1.3945 1.0929 1.3965 1.0927 1.397 1.0934 1.3953 1.0938 1.0932 1.3999 1.3976 1.3946 1.0933 1.3954 1.0933 1.3962 1.0934 1.3957 1.0936 1.0932 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 A190 A191 A192 A193 A194 A195 A196 A197 A198 A199 A200 A201 A202 A203 A204 A205 A206 A207 A208 A209 A210 A211 A212 A213 A214 A215 A216 A217 A218 A219 A220 A221 A222 A223 A224 A225 A226 A227 A228 A229 A230 A231 A232 A233 A234 A235 A236 A237 A238 A239 A240 A241 A242 A243 A244 A245 A246 A247 A248 A249 A250 A251 A252 A253 A254 A255 A256 A257 A258 A259 A260 A261 A262 A263 A264 A265 A266 A267 A268 A269 A270 A271 A272 A273 A274 A275 A276 A277 A278 A279 A280 A281 A282 A283 A284 A285 A286 A287 A288 A289 A290 A291 A292 A293 A294 2 2 2 3 3 3 4 5 5 5 6 6 5 6 5 5 6 17 1 2 2 4 1 1 1 1 3 3 3 3 3 4 4 4 10 10 11 8 8 8 9 9 9 10 11 11 11 12 18 18 11 6 6 11 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 13 13 13 13 14 14 14 14 14 16 16 16 16 19 20 22 1 1 1 2 2 2 2 3 3 3 3 8 11 11 14 14 14 15 16 17 11 17 11 4 4 4 6 6 14 1 1 1 1 1 1 1 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 7 7 7 7 7 8 8 8 8 8 8 10 10 10 10 10 12 12 12 12 12 19 19 20 20 20 21 21 11 11 11 18 18 20 20 20 21 11 11 18 18 19 19 18 11 7 7 7 8 8 8 8 9 9 9 21 13 13 13 13 15 15 15 15 15 16 16 16 16 20 20 25 25 27 27 27 30 30 33 26 26 28 28 29 18 18 18 18 24 24 24 26 26 31 31 32 24 24 27 26 26 35 35 36 5 5 34 34 37 36 36 39 36 36 41 37 37 43 38 38 43 39 39 41 34 34 48 47 47 50 47 47 52 48 48 54 49 49 54 50 50 52 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 4 5 5 5 5 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 8 9 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 14 15 16 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 21 22 23 23 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 26 26 26 26 26 26 27 27 27 27 27 30 30 30 30 30 30 30 30 30 30 30 30 33 33 33 34 34 34 34 34 35 35 36 36 36 37 37 37 38 38 38 39 39 39 41 41 41 43 43 43 47 47 47 48 48 48 49 49 49 50 50 50 52 52 52 54 54 54 3 4 6 4 5 18 12 6 12 18 12 18 18 12 17 18 18 18 35 4 35 35 10 11 14 17 4 10 11 14 17 10 11 14 14 17 17 9 10 11 10 12 18 23 12 18 23 23 23 23 23 12 18 18 7 9 13 16 19 20 22 25 13 14 16 19 20 22 25 10 13 14 16 19 20 22 25 13 14 16 19 20 22 25 19 20 22 25 16 19 20 22 25 19 20 22 25 25 22 25 7 8 10 3 7 8 10 7 8 10 18 10 17 24 15 16 24 16 17 24 17 24 24 13 14 15 13 15 15 7 8 10 19 20 30 31 4 7 8 10 20 30 31 7 8 10 12 19 20 21 30 31 19 20 21 30 31 10 19 20 21 30 31 19 20 21 30 31 19 20 21 30 31 30 31 21 30 31 30 31 18 21 23 22 23 21 22 23 22 18 24 24 25 24 25 23 23 19 21 22 9 19 21 22 19 21 22 22 20 25 30 33 16 20 25 30 33 20 25 30 33 30 33 30 33 30 34 35 34 35 34 28 29 29 33 33 24 26 32 33 26 31 32 31 32 32 33 33 26 27 30 36 47 36 47 47 26 34 37 38 38 39 40 40 41 42 42 43 44 44 43 45 45 41 46 46 48 49 49 50 51 51 52 53 53 54 55 55 54 56 56 52 57 57 120.8395 118.8596 140.2824 120.2795 141.2597 128.7512 147.7072 138.6414 130.0619 89.9168 87.5256 78.4035 99.7539 100.1225 95.9968 96.8748 83.6428 89.2989 100.6603 43.4447 96.1041 87.7822 76.4666 114.2142 91.7937 66.3814 42.9768 80.2904 126.9096 114.3884 85.3396 89.2032 112.2042 75.6846 77.6662 109.1311 96.3786 120.7432 118.8449 137.4471 120.393 140.6892 138.4664 154.5852 139.7739 83.0612 91.1329 126.126 92.8738 106.2762 104.74 98.7974 88.3087 90.1618 67.1682 85.1644 66.1531 87.6375 108.4876 97.4716 124.7921 96.2619 105.2223 88.4541 115.3262 73.1427 83.164 78.2002 94.2678 42.3744 126.7928 111.0299 132.4568 78.3089 94.0515 76.5265 106.5509 92.275 72.2996 108.5992 85.7049 88.7309 95.4233 96.6584 70.6725 50.4523 84.3989 40.5447 42.1858 77.2663 59.1562 93.6964 53.2963 59.8077 40.6166 69.6155 28.1162 31.8627 34.8541 43.8996 91.6097 94.9088 73.927 43.8595 96.4846 90.6995 85.3922 98.9409 109.7797 77.023 68.9852 42.6584 128.2629 122.1426 121.2421 119.3264 151.343 119.4199 161.576 103.0096 171.5924 125.6286 162.5121 97.6136 76.8939 119.1642 66.0438 84.0798 42.9737 88.9964 91.797 72.3102 160.2765 153.5606 116.3599 132.5593 40.7545 91.9609 86.1345 81.9763 173.6313 118.7308 130.3211 103.5672 111.7238 82.9538 70.2713 151.4821 133.6791 170.5093 96.4459 113.5709 75.3578 92.8774 79.2231 148.4876 137.0584 41.7551 78.3573 99.8857 74.291 151.7161 134.7052 89.283 101.0944 98.1248 146.7789 145.9881 121.6984 141.5844 117.1301 162.4144 166.1399 75.4567 61.7062 36.8341 56.0002 45.6684 77.4471 60.81 75.024 141.2847 83.4169 115.892 89.5364 115.6194 117.8146 155.8394 126.553 76.3305 109.086 117.4109 96.9467 151.838 112.8579 93.3827 102.1698 78.6818 89.5583 77.0342 44.1233 82.7226 85.438 89.1708 86.225 102.8684 76.3165 42.8422 55.3856 42.1481 70.827 93.7257 43.3756 75.818 64.051 73.0825 89.7079 45.3878 28.7469 82.5284 108.0241 56.754 79.3235 66.7665 91.5895 91.84 131.1562 128.3707 129.0282 126.987 132.4897 114.9584 118.6205 109.2479 116.4084 116.922 110.3089 101.2553 65.105 178.9869 143.1018 92.6819 64.8251 119.2534 115.2552 108.7967 117.0864 115.87 130.9027 126.8377 91.6241 117.7023 118.4536 114.75 115.4494 111.1258 154.4217 151.2667 121.6377 119.4014 118.9599 120.4424 119.7639 119.7806 120.7034 118.83 120.4571 120.2945 119.6906 120.0135 120.0411 119.7896 120.1653 119.5544 120.1999 120.2446 121.1126 119.7397 119.1378 120.4036 119.377 120.205 120.499 119.1432 120.3567 120.2049 119.7405 120.0538 120.1384 119.8346 120.0265 119.614 120.1739 120.2113 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A295 A296 A297 A298 A299 A300 A301 A302 A303 A304 A305 A306 A307 A308 A309 A310 A311 A312 A313 A314 A315 A316 A317 A318 A319 5 1 5 12 6 11 11 6 1 2 2 11 33 5 1 5 12 6 11 11 6 1 2 2 11 2 4 4 8 10 10 13 14 18 18 18 25 26 2 4 4 8 10 10 13 14 18 18 18 25 12 17 6 23 7 12 15 13 21 19 21 24 35 12 17 6 23 7 12 15 13 21 19 21 24 4 5 18 7 2 8 1 5 7 4 4 16 4 4 5 18 7 2 8 1 5 7 4 4 16 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 185.9525 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 183.8423 180.5176 185.4698 182.8281 174.0396 188.5967 192.6866 168.2195 192.2366 211.2638 139.1569 176.8345 188.1328 175.0625 174.835 197.3088 186.5458 180.3415 193.9815 198.565 187.9875 198.8376 176.9897 187.0369 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 D340 D341 D342 D343 D344 D345 D346 D347 D348 D349 D350 D351 D352 D353 D354 D355 D356 D357 D358 D359 D360 D361 D362 D363 D364 D365 D366 D367 D368 D369 D370 D371 D372 D373 D374 D375 D376 D377 D378 D379 D380 D381 D382 D383 D384 D385 D386 D387 D388 D389 D390 D391 D392 D393 D394 D395 D396 D397 D398 D399 D400 D401 D402 D403 D404 D405 D406 D407 D408 D409 D410 D411 D412 D413 D414 D415 D416 D417 D418 D419 D420 D421 D422 D423 D424 D425 D426 D427 D428 D429 D430 D431 D432 D433 D434 D435 D436 D437 D438 D439 D440 D441 D442 D443 D444 D445 D446 D447 D448 D449 D450 D451 D452 D453 D454 D455 D456 D457 D458 D459 D460 D461 D462 D463 D464 D465 D466 D467 D468 D469 D470 D471 D472 D473 D474 D475 D476 D477 D478 D479 D480 D481 D482 D483 D484 D485 D486 D487 D488 D489 D490 D491 D492 D493 D494 D495 D496 D497 D498 D499 D500 D501 D502 D503 D504 D505 D506 D507 D508 D509 D510 D511 D512 D513 D514 D515 D516 D517 D518 D519 D520 D521 D522 D523 D524 D525 D526 D527 D528 D529 D530 D531 D532 D533 D534 D535 D536 D537 D538 D539 D540 D541 D542 D543 D544 D545 D546 D547 D548 D549 D550 D551 D552 D553 D554 D555 D556 D557 D558 D559 D560 D561 D562 D563 D564 D565 D566 D567 D568 D569 D570 D571 D572 D573 D574 D575 D576 D577 D578 D579 D580 D581 D582 D583 D584 D585 D586 D587 D588 D589 D590 D591 D592 D593 D594 D595 D596 D597 D598 D599 D600 D601 D602 D603 D604 D605 D606 D607 D608 D609 D610 D611 D612 D613 D614 D615 D616 D617 D618 D619 D620 D621 D622 D623 D624 D625 D626 D627 D628 D629 D630 D631 D632 D633 D634 D635 D636 D637 D638 D639 D640 D641 D642 D643 D644 D645 D646 D647 D648 D649 D650 D651 D652 D653 D654 D655 D656 D657 D658 D659 D660 D661 D662 D663 D664 D665 D666 D667 D668 D669 D670 D671 D672 D673 D674 D675 D676 D677 D678 D679 D680 D681 D682 D683 D684 D685 D686 D687 D688 D689 D690 D691 D692 D693 D694 D695 D696 D697 D698 D699 D700 D701 D702 D703 D704 D705 D706 D707 D708 D709 D710 D711 D712 D713 D714 D715 D716 D717 D718 D719 D720 D721 D722 D723 D724 D725 D726 D727 D728 D729 D730 D731 D732 D733 D734 D735 D736 D737 D738 D739 D740 D741 D742 D743 D744 D745 D746 D747 D748 D749 D750 D751 D752 D753 D754 D755 D756 D757 D758 D759 D760 D761 D762 D763 D764 D765 D766 D767 D768 D769 D770 D771 D772 D773 D774 D775 D776 D777 D778 D779 D780 D781 D782 D783 D784 D785 D786 D787 D788 D789 D790 D791 D792 2 2 2 3 3 3 12 12 12 3 6 12 18 2 2 2 2 5 5 5 5 12 12 12 12 18 18 18 18 4 4 4 5 5 5 6 6 6 3 3 3 3 3 3 3 5 5 5 5 5 5 5 6 6 6 6 6 6 6 18 18 4 4 4 4 35 35 35 35 5 5 5 5 5 5 5 12 12 12 12 12 6 6 6 6 6 17 17 18 18 18 18 18 18 5 5 5 18 18 18 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 17 17 17 17 17 17 17 17 17 17 1 1 2 2 4 4 1 1 1 3 3 3 4 4 4 14 14 14 17 17 17 1 1 3 3 4 4 14 14 17 17 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 17 17 17 17 17 17 17 17 1 1 1 3 3 3 4 4 4 10 10 10 1 1 3 3 10 10 11 11 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 18 18 18 18 18 18 18 18 23 23 23 23 23 23 23 23 9 9 9 11 11 11 23 23 23 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 23 23 23 23 23 23 23 23 10 10 10 11 11 11 12 12 12 18 18 18 6 6 6 6 6 7 7 7 7 7 9 9 9 9 9 10 10 10 10 10 13 13 13 13 14 14 14 14 14 16 16 16 16 19 19 19 19 19 22 22 22 22 22 1 1 1 1 2 2 2 2 3 3 3 3 10 10 10 10 23 23 23 23 23 23 23 23 23 18 18 18 18 23 23 23 23 23 23 23 23 23 11 11 11 11 18 18 18 18 18 18 18 18 6 6 6 6 6 6 6 6 6 6 6 6 6 11 11 11 11 11 11 11 11 11 6 6 7 7 9 9 10 10 19 19 20 20 22 22 25 25 7 9 10 16 19 20 22 25 6 7 9 10 14 19 20 22 25 6 6 6 7 7 7 9 9 9 10 10 10 13 13 13 14 14 14 16 16 16 25 25 25 6 6 7 7 9 9 10 10 13 13 14 14 16 16 22 22 6 7 9 10 13 14 16 20 25 3 3 3 3 3 3 11 11 16 16 24 24 11 11 11 11 14 14 14 14 17 17 17 17 11 11 24 24 24 17 17 17 17 17 11 11 11 11 11 1 1 1 4 4 4 7 7 7 8 8 8 10 10 10 12 12 12 30 30 30 31 31 31 1 1 1 2 2 2 4 4 4 7 7 7 8 8 8 10 10 10 12 12 12 21 21 21 30 30 30 31 31 31 4 7 8 10 12 20 30 31 1 1 1 1 2 2 2 2 4 4 4 4 7 7 7 7 8 8 8 8 10 10 10 10 12 12 12 12 19 19 19 19 20 20 20 20 21 21 21 21 21 21 22 22 23 23 11 11 11 18 18 18 20 20 20 11 11 11 11 11 18 18 18 18 18 19 19 19 19 19 24 18 18 18 18 11 11 11 11 13 13 13 13 15 15 15 15 16 16 16 16 20 20 20 20 25 25 25 25 13 13 15 15 16 16 20 20 25 25 30 30 34 34 35 35 27 27 27 27 34 34 34 34 35 35 35 35 34 27 27 30 30 33 33 27 30 28 28 29 29 18 31 32 36 47 26 26 35 35 47 47 26 26 35 35 36 36 34 34 38 38 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10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 14 14 15 15 15 15 15 15 15 15 16 16 16 16 16 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 27 27 27 27 30 30 30 34 34 34 34 34 34 34 34 34 34 34 34 34 34 36 36 36 36 36 36 36 36 37 37 37 37 38 38 38 38 39 39 39 39 41 41 41 41 47 47 47 47 47 47 47 47 48 48 48 48 49 49 49 49 50 50 50 50 52 52 52 17 17 17 17 17 17 17 17 17 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 12 12 12 12 12 12 12 12 12 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 5 5 12 12 12 12 12 12 12 12 18 18 18 18 18 18 18 6 6 6 6 6 12 12 12 12 12 5 5 5 5 6 6 6 6 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 35 35 35 35 35 35 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 13 13 13 17 17 17 17 17 17 17 17 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 23 23 23 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 18 18 18 18 18 18 18 18 18 23 23 23 23 11 11 11 11 11 11 11 11 11 23 23 23 23 11 11 11 11 11 11 11 11 12 12 12 12 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 16 16 16 16 16 16 16 16 16 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 22 22 22 22 22 22 22 22 22 18 18 18 18 18 18 17 17 17 17 17 17 24 24 24 24 24 24 24 24 24 24 24 24 17 17 17 17 17 24 24 24 24 24 24 24 24 24 24 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 20 20 20 20 20 20 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 25 23 23 23 23 23 23 23 23 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 33 33 33 33 33 33 33 33 33 33 27 27 27 27 27 27 30 30 30 30 30 30 30 30 30 30 30 30 33 34 34 34 34 34 34 35 35 33 33 33 33 33 33 33 35 35 36 36 36 36 36 36 47 47 47 47 47 47 37 37 37 37 38 38 38 38 39 39 39 39 41 41 41 41 43 43 43 43 43 43 43 43 48 48 48 48 49 49 49 49 50 50 50 50 52 52 52 52 54 54 54 54 54 54 54 13 14 15 13 14 15 13 14 15 35 35 35 35 10 11 14 17 10 11 14 17 10 11 14 17 10 11 14 17 7 8 10 7 8 10 7 8 10 7 8 10 19 20 30 31 7 8 10 19 20 30 31 7 8 10 19 20 30 31 4 35 3 7 8 10 3 7 8 10 4 7 8 10 20 30 31 4 10 11 14 17 2 7 8 10 18 2 35 2 35 3 10 11 14 13 14 15 13 14 15 2 7 8 10 12 19 20 21 30 31 2 7 8 10 12 19 20 21 30 31 2 7 8 10 12 19 20 21 30 31 26 34 26 34 26 34 8 9 23 8 9 23 8 9 23 8 9 23 8 9 23 12 18 12 18 12 18 12 18 12 18 7 9 13 16 19 20 22 25 7 9 13 16 19 20 22 25 7 9 13 16 19 20 22 25 7 9 13 16 19 20 22 25 15 16 24 15 16 24 15 16 24 15 16 24 13 15 13 15 13 15 13 15 6 13 14 16 19 20 22 25 6 13 14 16 19 20 22 25 6 13 14 16 19 20 22 25 6 13 14 16 19 20 22 25 1 2 3 1 2 3 1 2 3 1 2 4 19 20 21 30 31 1 2 4 19 20 21 30 31 1 2 4 19 20 21 30 31 19 21 22 19 21 22 19 21 22 19 21 22 13 15 16 30 33 13 15 16 30 33 13 15 16 30 33 13 15 16 30 33 15 16 30 33 13 15 16 30 33 13 15 30 33 13 15 16 30 33 13 15 16 30 33 9 19 21 22 9 19 21 22 9 19 21 22 9 19 21 22 1 2 4 10 19 20 21 30 31 9 19 21 22 6 10 13 14 16 19 20 22 25 8 19 21 22 9 13 14 16 19 20 22 25 1 2 3 8 1 2 4 8 19 20 21 30 31 1 2 4 8 19 20 21 30 31 17 24 17 24 17 24 17 24 17 24 17 24 17 24 17 24 17 17 17 17 17 17 17 17 24 24 24 24 24 24 24 24 24 18 21 23 18 21 23 18 21 23 18 21 23 18 21 23 18 21 23 18 21 23 18 21 23 18 24 18 24 18 24 18 24 18 24 18 24 18 24 18 24 23 23 23 23 23 23 23 23 23 4 19 20 21 30 31 4 6 4 6 4 6 20 25 30 33 20 25 30 33 20 25 30 33 4 15 4 6 14 16 20 25 30 33 15 20 25 30 33 11 22 23 11 22 23 11 22 23 11 22 23 11 22 23 11 22 23 11 22 23 11 22 23 11 24 25 11 24 25 11 24 25 11 24 25 11 24 25 11 24 25 11 24 25 11 24 25 11 24 25 11 24 25 23 23 23 23 23 23 23 23 24 26 32 33 24 26 32 33 24 26 32 33 24 26 32 33 24 26 32 33 24 26 32 33 24 26 32 33 24 26 32 33 24 26 32 33 24 26 32 33 24 25 24 25 24 25 7 8 9 7 8 9 7 8 9 13 15 16 30 33 13 15 16 30 33 13 15 16 30 33 11 7 8 9 22 7 8 9 21 18 26 31 32 18 26 31 32 18 26 31 32 18 26 31 32 18 26 31 32 26 27 26 27 26 27 26 27 26 27 28 29 28 29 28 29 18 24 31 32 18 24 31 32 18 24 31 32 24 36 47 36 47 36 47 5 5 24 30 24 30 27 27 27 5 5 37 38 37 38 37 38 48 49 48 49 48 49 39 40 39 40 41 42 41 42 43 44 43 44 43 45 43 45 41 46 41 46 39 46 39 46 50 51 50 51 52 53 52 53 54 55 54 55 54 56 54 56 52 57 52 57 50 57 50 87.4676 95.1321 86.9165 -85.9928 -78.3283 -86.544 1.3634 9.028 0.8123 -170.0329 -59.0086 91.4367 13.1809 10.657 -21.2347 -66.2017 -107.5826 123.2822 91.3904 46.4234 5.0425 -34.5164 -66.4081 -111.3751 -152.756 46.8942 15.0025 -29.9646 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3.816 111.174 -36.5837 -44.1566 -22.29 33.8349 13.7542 48.0026 3.8616 -38.0398 -58.3476 -14.7139 -154.4061 49.9518 70.7584 29.6443 163.9501 -122.8507 -103.5826 -140.8429 -61.372 -92.8464 136.6696 157.4762 116.3621 -109.3321 -36.1329 -16.8648 -54.1251 25.3458 -6.1285 17.4672 163.9969 -38.4803 108.0495 -46.0657 100.464 -19.386 127.1438 -104.0289 42.5009 -105.8572 40.6725 -114.6155 31.9142 -116.9753 29.5545 -32.8965 -33.9861 -16.4457 -164.7335 -105.96 -115.8561 -110.9653 -129.3833 131.751 68.4419 50.4997 92.031 123.926 18.7227 27.3902 3.1004 23.7602 7.7559 67.3344 99.0417 -50.318 9.2605 40.9678 -73.0399 -13.4614 18.2459 -30.8557 28.7228 60.4301 63.0737 122.6522 154.3595 41.95 101.5285 133.2358 83.5843 143.1629 174.8701 79.0883 138.6669 170.3741 29.8762 -84.7815 -35.9269 -150.5846 -55.7684 -170.4261 -13.7011 -128.3588 80.3006 -34.3571 56.3621 -58.2956 107.3557 -7.302 -115.0762 130.2661 77.9275 26.819 3.7121 41.915 133.6774 114.4627 149.7637 121.8216 135.8896 7.7901 -143.3319 -128.9758 -165.7278 50.3353 116.45 19.1133 -17.1946 -89.9158 -126.2237 -132.2486 -168.5566 -43.2514 -29.3045 -105.5237 -117.5555 47.8753 61.8222 -14.3969 -26.4288 110.3613 124.3082 48.089 36.0572 15.5095 -174.7831 -101.8851 -135.1315 -113.3802 122.3363 84.27 97.1212 25.213 5.2112 -151.0579 -28.1691 -23.8549 -77.8281 -81.6789 9.8501 -9.3764 -73.4589 -43.1771 -62.4036 -126.4862 48.3705 29.144 -34.9386 71.1741 51.9476 -12.135 30.5635 11.3369 -52.7456 64.6155 45.389 -18.6935 -119.6139 -138.8404 157.077 -130.9143 -150.1408 145.7766 -58.5951 46.0572 -18.9038 -104.4488 0.2034 -64.7576 -76.9448 27.7075 -37.2535 34.9418 139.5941 74.633 56.3626 161.0149 96.0539 13.8806 118.5329 53.5719 39.9888 144.6411 79.68 102.6453 -152.7024 142.3366 -139.7601 -35.1079 -100.0689 -157.7429 -53.0907 -118.0517 -124.8981 -16.8585 5.6018 -29.0166 14.9752 -126.6962 -175.5234 179.4165 -116.4287 44.1475 -68.6343 95.6627 -141.6434 18.9329 -93.849 70.448 -105.4889 55.0874 -57.6945 106.6025 24.0011 -175.4226 71.7955 -123.9075 69.428 -129.9958 117.2223 -78.4807 -18.5164 142.0599 29.278 -166.425 -145.3202 15.256 -97.5259 66.7711 46.6668 -152.757 94.4611 -101.2419 34.1634 -165.2603 81.9578 -113.7452 67.1414 -132.2823 114.9358 -80.7672 112.9416 -168.4873 -68.2831 10.288 -164.0035 -85.4324 -39.8153 -62.5837 -18.3763 35.1618 12.3934 56.6008 23.7738 1.0054 45.2128 33.5472 43.2735 6.7726 122.1323 135.6973 -50.5836 -40.8574 -77.3582 38.0015 51.5664 125.3693 135.0956 98.5947 -146.0456 -132.4807 -179.4549 16.8787 -5.5937 35.2141 88.1153 -26.9674 -46.4739 -3.8121 -130.6555 29.1471 -117.9487 90.7444 -18.7918 52.4331 -94.6627 114.0305 4.4942 9.0153 -138.0805 70.6127 -38.9236 -31.4349 -178.5307 30.1625 -79.3738 -16.0268 -163.1226 45.5706 -63.9656 6.6266 -60.3602 28.5137 -38.4731 -11.4861 -78.4729 -47.1058 -114.0925 -35.5173 -102.504 80.3794 -147.6924 -129.7536 2.1745 -62.1072 69.821 -147.5242 1.18 147.8337 -79.9008 61.5901 -149.7057 -3.052 129.2135 -4.2291 144.4751 -68.8712 63.3943 137.4208 -139.0529 -0.6749 0.7147 139.0927 -68.5897 69.7883 60.1755 -70.1871 4.39 -78.9181 -127.2905 149.4015 -85.0042 -150.2799 79.1622 69.5146 -61.7022 67.7124 -111.914 153.2052 -26.4211 -73.528 106.8457 -59.7115 121.4479 -145.8782 35.2812 81.2052 -97.6354 -179.3453 -0.6691 0.2827 178.9588 179.9709 1.0866 0.3346 -178.5498 -0.5902 178.9871 -179.2662 0.3112 -0.6469 -179.9209 178.2193 -1.0547 0.2768 179.8898 -179.2991 0.3139 0.337 -179.2758 179.6083 -0.0045 -178.7724 2.6061 0.0751 -178.5464 178.4097 -1.9842 -0.4539 179.1522 0.3375 -179.3422 178.9475 -0.7322 0.4217 -179.8211 -179.1796 0.5775 -0.3714 179.9581 179.3073 -0.3632 -0.0061 179.6643 -179.7627 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 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0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 Grimme-D3(BJ) -0.0989925709 PCM SMD-Coulomb. 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0.0302513 0.0241280 0.0215469 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 769 764 765 766 769 MxSgAt= 57 MxSgA2= 57. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 772 771 771 772 772 MxSgAt= 57 MxSgA2= 57. 1 Using compressed storage, NAtomX= 57. Will process 58 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111111 IDoAtm=1111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 35.6880, EpsInf= 1.8069) Direct CPHF calculation. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. 17813 words used for storage of precomputed grid. Two-electron integral symmetry not used. MDV= 8321499136 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 750000000 NMat= 171 IRICut= 427 DoRegI=T DoRafI=T ISym2E= 0 IDoP0=3 IntGTp=3. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. There are 174 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 0. 168 vectors produced by pass 0 Test12= 9.29D-14 1.00D-09 XBig12= 2.58D-01 7.35D-02. AX will form 168 AO Fock derivatives at one time. 168 vectors produced by pass 1 Test12= 9.29D-14 1.00D-09 XBig12= 9.95D-02 4.32D-02. 168 vectors produced by pass 2 Test12= 9.29D-14 1.00D-09 XBig12= 1.58D-03 3.44D-03. 168 vectors produced by pass 3 Test12= 9.29D-14 1.00D-09 XBig12= 1.87D-05 2.48D-04. 168 vectors produced by pass 4 Test12= 9.29D-14 1.00D-09 XBig12= 1.36D-07 2.45D-05. 163 vectors produced by pass 5 Test12= 9.29D-14 1.00D-09 XBig12= 3.48D-10 1.20D-06. 76 vectors produced by pass 6 Test12= 9.29D-14 1.00D-09 XBig12= 7.07D-13 8.17D-08. 4 vectors produced by pass 7 Test12= 9.29D-14 1.00D-09 XBig12= 1.40D-15 2.55D-09. InvSVY: IOpt=1 It= 1 EMax= 9.99D-16 Solved reduced A of dimension 1083 with 174 vectors. End of Minotr F.D. properties file 721 does not exist. 0.000 0.000 0.000 0.000 0.000 0.000 638.531 -4.461 599.673 16.007 -39.196 620.986 -1.44695315e+00 5.06951704e-01 -4.68845174e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 6 8 8 8 55 55 6 8 8 8 55 55 6 8 8 8 55 55 6 8 8 8 55 55 1 6 6 1 1 6 1 1 7 6 8 6 6 6 6 1 6 1 6 1 1 1 6 6 6 6 1 6 1 6 1 1 1 -0.002068786 0.000068144 -0.001081811 -0.000095850 -0.000469743 0.000162739 0.000458379 -0.000118536 0.000033405 0.002235596 -0.001075671 0.000713831 0.000139469 0.000456502 -0.000162763 0.000286020 0.001000754 0.000950578 0.005358478 0.000115708 -0.003546734 -0.000199756 -0.003462249 -0.001148272 -0.000360981 -0.000019378 -0.000614425 -0.002703225 0.003450896 0.004841154 -0.000548751 -0.002596768 -0.000365544 -0.000889878 0.000470071 0.000769547 -0.001508654 0.001216952 0.001798384 -0.000238375 -0.000373508 -0.001459529 0.001019057 0.000942717 -0.001276508 0.000379375 -0.001948450 -0.000180007 -0.000425410 -0.000439186 0.001335891 -0.001129776 0.001840417 -0.002416425 -0.001088846 -0.000061403 0.002453808 0.002239009 -0.000432055 -0.000102355 -0.000148891 0.000693249 0.000147505 0.000155972 0.000434082 0.000042017 -0.001292370 0.000421715 -0.000320515 0.000842392 -0.001618960 -0.000843918 -0.000060709 0.001839695 0.000257760 -0.008318109 0.021239575 -0.013033081 -0.000933076 -0.000410119 0.001155577 0.000288747 0.000001385 -0.000433500 0.000161505 -0.000089686 -0.000310336 0.000921646 0.001389203 0.000288954 -0.001354793 -0.001270541 -0.000174585 -0.000885245 -0.000059477 -0.000181147 0.004449114 -0.009578314 0.004453816 0.000654219 -0.000299177 -0.000277154 0.004930781 -0.011798182 0.008691383 -0.000208213 0.000344565 -0.000108113 -0.000123503 0.000066358 0.000248042 0.000688127 -0.000656232 -0.000226475 0.000141189 -0.000017949 -0.000032819 0.000106588 0.000015426 -0.000094902 0.000008585 -0.000006387 0.000226929 -0.000589974 0.000313727 -0.000135465 -0.000211429 0.000078009 -0.000157788 -0.000024980 -0.000019176 0.000038891 0.000125227 0.000113803 -0.000246896 0.000032601 0.000031147 0.000073950 -0.000184023 0.000220623 0.000132025 0.000162213 -0.000279432 -0.000072186 -0.000044614 -0.000005597 0.000232656 0.000106252 0.000189695 0.000021887 -0.000263846 -0.000060759 0.000009698 -0.000074354 0.000021515 -0.000075012 0.000009979 0.000171177 -0.000042783 -0.000053018 -0.000064732 0.000031021 0.000027861 -0.000003296 0.000032265 0.000047415 0.000042302 -0.000012738 0.000053637 0.000045552 -0.000009931 0.021239575 0.002700528 (Enter /cm/shared/apps/spack/cpu/opt/spack/linux-centos8-zen/gcc-8.3.1/gaussian-16.C.01-po5bqktfeugvmjyga3v7eigbecnokxng/g16/l716.exe) Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Using compressed storage, NAtomX= 57. Will process 58 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111111 IDoAtm=1111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 35.6880, EpsInf= 1.8069) Direct CPHF calculation. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. 17813 words used for storage of precomputed grid. Two-electron integral symmetry not used. MDV= 8321499136 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 760000000 NMat= 171 IRICut= 427 DoRegI=T DoRafI=T ISym2E= 0 IDoP0=3 IntGTp=3. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. There are 174 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 0. 168 vectors produced by pass 0 Test12= 9.29D-14 1.00D-09 XBig12= 2.55D-01 7.41D-02. AX will form 168 AO Fock derivatives at one time. 168 vectors produced by pass 1 Test12= 9.29D-14 1.00D-09 XBig12= 9.41D-02 5.79D-02. 168 vectors produced by pass 2 Test12= 9.29D-14 1.00D-09 XBig12= 1.50D-03 3.27D-03. 168 vectors produced by pass 3 Test12= 9.29D-14 1.00D-09 XBig12= 1.53D-05 2.27D-04. 168 vectors produced by pass 4 Test12= 9.29D-14 1.00D-09 XBig12= 1.08D-07 2.43D-05. 163 vectors produced by pass 5 Test12= 9.29D-14 1.00D-09 XBig12= 2.93D-10 1.08D-06. 74 vectors produced by pass 6 Test12= 9.29D-14 1.00D-09 XBig12= 6.09D-13 7.86D-08. 4 vectors produced by pass 7 Test12= 9.29D-14 1.00D-09 XBig12= 1.22D-15 2.32D-09. InvSVY: IOpt=1 It= 1 EMax= 5.55D-16 Solved reduced A of dimension 1081 with 174 vectors. End of Minotr F.D. properties file 721 does not exist. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Using compressed storage, NAtomX= 57. Will process 58 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111111 IDoAtm=1111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 35.6880, EpsInf= 1.8069) Direct CPHF calculation. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. 17820 words used for storage of precomputed grid. Two-electron integral symmetry not used. MDV= 8321499136 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 770000000 NMat= 171 IRICut= 427 DoRegI=T DoRafI=T ISym2E= 0 IDoP0=3 IntGTp=3. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. There are 174 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 0. 168 vectors produced by pass 0 Test12= 9.29D-14 1.00D-09 XBig12= 2.49D-01 8.01D-02. AX will form 168 AO Fock derivatives at one time. 168 vectors produced by pass 1 Test12= 9.29D-14 1.00D-09 XBig12= 1.01D-01 4.69D-02. 168 vectors produced by pass 2 Test12= 9.29D-14 1.00D-09 XBig12= 1.55D-03 3.22D-03. 168 vectors produced by pass 3 Test12= 9.29D-14 1.00D-09 XBig12= 1.74D-05 2.72D-04. 168 vectors produced by pass 4 Test12= 9.29D-14 1.00D-09 XBig12= 1.14D-07 2.69D-05. 164 vectors produced by pass 5 Test12= 9.29D-14 1.00D-09 XBig12= 2.89D-10 1.29D-06. 74 vectors produced by pass 6 Test12= 9.29D-14 1.00D-09 XBig12= 6.15D-13 8.54D-08. 3 vectors produced by pass 7 Test12= 9.29D-14 1.00D-09 XBig12= 1.30D-15 2.91D-09. InvSVY: IOpt=1 It= 1 EMax= 7.77D-16 Solved reduced A of dimension 1081 with 174 vectors. End of Minotr F.D. properties file 721 does not exist. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Closed 1 1 1 -1962.68318934853 -1962.68319189354 -0.000002545004 -1962.68319193199 -0.000000038450 -1962.68319194133 -0.000000009349 -1962.68319194327 -0.000000001933 -1962.68319194344 -0.000000000173 -1962.68319194361 -0.000000000173 -1962.68319194 7 1.831305686599e+03 -1.527949796163e+04 6.124378225372e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 8321499136 LenX= 8320207941 LenY= 8319578299 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 0.000 0.000 0.000 0.000 0.000 0.000 641.493 -12.734 595.115 21.321 -41.124 637.086 (Enter /cm/shared/apps/spack/cpu/opt/spack/linux-centos8-zen/gcc-8.3.1/gaussian-16.C.01-po5bqktfeugvmjyga3v7eigbecnokxng/g16/l716.exe) PT901900.900S 2025-03-25T08:17:41.000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 26 27 30 33 34 35 36 37 38 39 41 43 47 48 49 50 52 54 C O O O Cs Cs C O O O Cs Cs C O O O Cs Cs C O O O Cs Cs C C C N C O C C C C C C C C C C C C 0.326211 -0.517692 -0.498188 -0.534268 0.802776 0.662721 0.329765 -0.519762 -0.499798 -0.543108 0.573222 0.733218 0.333943 -0.498383 -0.490680 -0.542049 0.722707 0.051140 0.332420 -0.105358 -0.439608 -0.454230 0.705984 0.639537 -0.093526 0.182079 0.183692 -0.605261 0.191150 -0.447676 -0.027651 0.010722 0.010390 0.006257 0.026456 0.018026 -0.054404 0.017387 0.004973 -0.001173 0.002624 0.005413 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2.16903 2.17717 2.17964 2.19074 2.19879 2.20166 2.21021 2.22930 2.27598 2.30100 2.30416 2.30604 2.31883 2.32101 2.32528 2.34316 2.34898 2.36082 2.36472 2.37921 2.40178 2.40761 2.41465 2.45747 2.49661 2.51845 2.54917 2.56800 2.59621 2.60880 2.63501 2.64187 2.65906 2.66304 2.66993 2.67903 2.70565 2.70889 2.71325 2.71649 2.72178 2.72749 2.72925 2.73539 2.73595 2.73920 2.74089 2.74232 2.74390 2.74828 2.75028 2.75339 2.75559 2.75679 2.76135 2.76377 2.76686 2.76714 2.77250 2.77431 2.77854 2.78280 2.79542 2.80030 2.80752 2.81221 2.82482 2.83086 2.83672 2.84006 2.84671 2.86817 2.87514 2.88844 2.89433 2.89946 2.90581 2.90826 2.91482 2.92308 2.92973 2.93236 2.93769 2.95526 2.96796 3.00469 3.02749 3.03478 3.07477 3.09484 3.13613 3.14497 3.15479 3.17280 3.18007 3.21618 3.22555 3.23668 3.23791 3.24060 3.25832 3.26342 3.26597 3.26684 3.27797 3.29958 3.31245 3.34237 3.35053 3.35532 3.35945 3.38615 3.39105 3.39630 3.55692 3.58870 3.63349 3.64101 3.64404 3.65839 3.67144 3.69549 3.76972 3.77183 3.77369 3.77733 3.78088 3.78639 3.80173 3.97392 20.01265 20.02762 20.03639 20.04524 20.11217 20.11787 20.13684 20.30283 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 C O O O Cs Cs C O O O Cs Cs C O O O Cs Cs C O O O Cs Cs H C C H H C H H N C O C C C C H C H C H H H C C C C H C H C H H H 0.327399 -0.516719 -0.496225 -0.537923 0.786299 0.711628 0.325971 -0.522224 -0.501885 -0.530877 0.617407 0.731454 0.358708 -0.511614 -0.498255 -0.550204 0.715022 -0.029788 0.333487 -0.352558 -0.438682 -0.461238 0.674745 0.682957 0.266960 -0.111336 0.126404 0.025768 0.037348 0.033034 0.106332 0.041385 -0.569621 0.235392 -0.488369 -0.029656 -0.033201 -0.069553 -0.045900 0.042185 -0.042808 0.065504 -0.042258 0.051851 0.067783 0.055292 -0.042236 -0.029592 -0.058697 -0.045653 0.034663 -0.045721 0.052369 -0.044080 0.044701 0.048571 0.046253 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 26 27 30 33 34 35 36 37 38 39 41 43 47 48 49 50 52 54 C O O O Cs Cs C O O O Cs Cs C O O O Cs Cs C O O O Cs Cs C C C N C O C C C C C C C C C C C C 0.327399 -0.516719 -0.496225 -0.537923 0.786299 0.711628 0.325971 -0.522224 -0.501885 -0.530877 0.617407 0.731454 0.358708 -0.511614 -0.498255 -0.550204 0.715022 -0.029788 0.333487 -0.085598 -0.438682 -0.461238 0.674745 0.682957 -0.111336 0.189520 0.180751 -0.569621 0.235392 -0.488369 -0.029656 0.008984 -0.004050 0.005951 0.024976 0.013035 -0.042236 0.005071 -0.006329 -0.000952 0.002850 0.002173 -0.00000 -2.06343999e-01 -3.29945633e-01 -5.48750693e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.5245 -0.8386 -13.9479 13.9829 -321.5247 -311.4142 -301.0482 -17.1393 -35.0811 -13.9356 -10.1957 -0.0851 10.2808 -17.1393 -35.0811 -13.9356 -1007.5496 -457.0271 302.3026 -318.2912 -149.0646 90.0250 -230.1494 -139.5486 -18.9504 -144.4824 -21037.1386 -14308.6098 -10950.6146 -4036.1719 36.8642 -2963.4743 -340.8816 -1039.5828 491.2676 -5169.5072 -4302.7764 -3595.7018 -320.9420 -41.4510 -995.4438 0 -1962.6831919 5.37E-9 3.629E-5 -7.5802344,-0.0632927,7.6435271,-12.7426512,-26.0819347,-10.3608076 C01 [X(C20H15Cs8N1O13)] -0.206344 -0.3299456 -5.4875069 0.|0.|0.|0.|0.|0. -0.000004198 0.000004439 0.000002306 -0.000003426 0.000005372 0.000005668 -0.000004798 0.000004089 0.000002648 -0.000002924 0.000003612 0.000000117 -0.000004776 0.000005437 0.000003755 -0.000000864 0.000002726 -0.000002091 0.000000614 -0.000006055 0.000001709 0.000001295 0.000000350 0.000005575 0.000001588 -0.000006105 0.000002801 0.000001172 -0.000001994 -0.000000778 0.000002907 -0.000010389 -0.000005053 -0.000002743 0.000000967 0.000007263 0.000002139 -0.000000451 -0.000001727 0.000001251 0.000010358 0.000001919 0.000000145 0.000001966 -0.000005632 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0.000000096 0.000003580 0.000000469 -0.000004679 0.000004920 0.000003095 -0.000006262 0.000002745 -0.000001271 -0.000003218 0.000007295 0.000001526 -0.000006603 0.000006457 -0.000001698 0.000001721 0.000000651 -0.000000766 0.000001754 -0.000000700 -0.000003575 0.000003670 0.000001865 -0.000001442 0.000002371 -0.000000476 0.000000573 0.000000488 -0.000001854 -0.000004287 0.000004547 0.000002249 -0.000004375 0.000004533 0.000002538 -0.000003197 0.000003851 0.000001041 -0.000000603 0.000001853 -0.000001428 -0.000005632 0.000005694 0.000003344 -0.000003717 0.000004448 0.000001212 1525.4565000000005 AuxInfo=1/0/N:43,54,39,41,50,52,37,38,48,49,27,30,36,47,26,34,33,35;19,20,21,22;1,2,3,4;7,8,9,10;13,14,15,16;5;6;11;12;17;18;23;24/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14);(3,4);3*(2,3,4);;;;;;;;/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,13.3,14.3,17-1;1.3,3-1,4.1;3*1.3,2.1,3.1,4.1;;;;;;;;/rA:57nC7O4O3O5Cs4Cs8C7O4O3O5Cs7Cs7C5O5O3O3Cs6Cs11CO3OO3Cs6Cs5HCCHHC5HHNCO3C3C3C3C3HC3HC3HHHC3C3C3C3HC3HC3HHH/rB:s1;s1;s1;s1s2s4;s1s3s4;;s7;s7;s6s7;s6s7s9s10;s1s2s3s7s8s10;;s6s11s13;s13;s11s13;s4s6s13s14s15;s1s2s4s6s7s8s10s12s14s17;;s18s19;s19;s11s19;s7s8s9s19s21s22;s13s15s16;s20;;s26;s27;s27;s24s26;s30;s30;s24s27s30;s26;s5s26s34;s34;s36;s36;s37;s37;s38;s38;s39s41;s39;s41;s43;s34;s47;s47;s48;s48;s49;s49;s50s52;s50;s52;s54;/rC:-.6476,1.1154,-3.7453;-.7812,2.1934,-3.0468;-1.5981,.6967,-4.4946;.4566,.4415,-3.6516;1.9519,3.092,-3.7934;-1.3021,-2.1249,-3.5772;-3.2981,-.6148,-.2067;-3.1239,.6121,.1637;-3.9774,-1.4262,.5146;-2.7471,-1.0197,-1.3068;-1.8231,-3.5603,.288;-3.7015,1.6459,-2.6016;1.5424,-3.069,-.6045;.6496,-2.4985,-1.3327;2.7364,-3.2345,-1.028;1.2285,-3.4646,.5988;2.8013,-1.205,-3.187;-.0978,.48,-.4701;-.2384,-1.1278,2.6896;.9145,-1.3735,2.0153;-.3703,.0355,3.1292;-1.0701,-2.0663,2.792;-3.4013,-.0416,3.071;4.0026,-2.9469,1.6873;.9008,-2.2638,1.5187;3.9945,1.3077,-.1511;5.2665,.5807,-.322;5.2812,-.1527,-1.1665;6.208,1.156,-.3235;3.3858,.1723,.556;2.6397,.3655,1.3417;3.0139,-.6526,-.0985;4.7971,.0728,.9789;3.714,2.7332,-.0134;3.2108,2.3876,-1.2651;2.6643,3.1512,1.0003;2.8707,2.9985,2.3767;1.4571,3.6952,.5532;1.8837,3.3785,3.2856;3.8029,2.5588,2.7401;.4723,4.0884,1.462;1.2886,3.7912,-.5221;.6818,3.9275,2.8321;2.0511,3.2385,4.357;-.4675,4.5112,1.0956;-.0917,4.2232,3.5459;4.8778,3.7019,-.0248;5.8974,3.6189,.9308;4.9288,4.713,-.9883;6.9493,4.5346,.922;5.8741,2.8151,1.6716;5.9767,5.6344,-.9931;4.14,4.7694,-1.7432;6.9904,5.5478,-.0377;7.7456,4.4531,1.6669;6.0043,6.423,-1.7503;7.8149,6.2657,-.0437;/R:/0/N:43,54,39,41,50,52,37,38,48,49,27,36,47,30,26,34,19,13,1,7,5,24,23,17,12,11,6,18,33,21,20,35,22,15,16,9,3,2,8,14,4,10/E:(1,2)(3,4,5,6)(7,8,9,10)(12,13)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,12.3,13.3,14.5,18.5,19.7,20.7,21.4,22.5,23.6,24.6,25.7,26.7,27.8,28.11,31.3,32.3,33.3,34.3,35.3,36.3,37.3,38.4,39.4,40.5,41.5,42.5 Gaussian 16 GINC-EXP-4-19 KEVINKWY Template file ES64L-G16RevC.01 RPBE1PBE def2SVP Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RPBE1PBE/def2SVP Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1525.4565000000005 AuxInfo=1/0/N:43,54,39,41,50,52,37,38,48,49,27,30,36,47,26,34,33,35;19,20,21,22;1,2,3,4;7,8,9,10;13,14,15,16;5;6;11;12;17;18;23;24/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14);(3,4);3*(2,3,4);;;;;;;;/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,13.3,14.3,17-1;1.3,3-1,4.1;3*1.3,2.1,3.1,4.1;;;;;;;;/rA:57nC7O4O3O5Cs4Cs8C7O4O3O5Cs7Cs7C5O5O3O3Cs6Cs11CO3OO3Cs6Cs5HCCHHC5HHNCO3C3C3C3C3HC3HC3HHHC3C3C3C3HC3HC3HHH/rB:s1;s1;s1;s1s2s4;s1s3s4;;s7;s7;s6s7;s6s7s9s10;s1s2s3s7s8s10;;s6s11s13;s13;s11s13;s4s6s13s14s15;s1s2s4s6s7s8s10s12s14s17;;s18s19;s19;s11s19;s7s8s9s19s21s22;s13s15s16;s20;;s26;s27;s27;s24s26;s30;s30;s24s27s30;s26;s5s26s34;s34;s36;s36;s37;s37;s38;s38;s39s41;s39;s41;s43;s34;s47;s47;s48;s48;s49;s49;s50s52;s50;s52;s54;/rC:-.6476,1.1154,-3.7453;-.7812,2.1934,-3.0468;-1.5981,.6967,-4.4946;.4566,.4415,-3.6516;1.9519,3.092,-3.7934;-1.3021,-2.1249,-3.5772;-3.2981,-.6148,-.2067;-3.1239,.6121,.1637;-3.9774,-1.4262,.5146;-2.7471,-1.0197,-1.3068;-1.8231,-3.5603,.288;-3.7015,1.6459,-2.6016;1.5424,-3.069,-.6045;.6496,-2.4985,-1.3327;2.7364,-3.2345,-1.028;1.2285,-3.4646,.5988;2.8013,-1.205,-3.187;-.0978,.48,-.4702;-.2384,-1.1278,2.6896;.9145,-1.3735,2.0153;-.3703,.0355,3.1292;-1.0701,-2.0663,2.792;-3.4013,-.0416,3.071;4.0026,-2.9469,1.6873;.9008,-2.2638,1.5187;3.9945,1.3077,-.1511;5.2665,.5807,-.322;5.2812,-.1527,-1.1665;6.208,1.156,-.3235;3.3858,.1723,.556;2.6397,.3655,1.3417;3.0139,-.6526,-.0985;4.7971,.0728,.9789;3.714,2.7332,-.0134;3.2108,2.3876,-1.2651;2.6643,3.1512,1.0003;2.8707,2.9985,2.3767;1.4571,3.6953,.5533;1.8837,3.3785,3.2856;3.8029,2.5588,2.7401;.4723,4.0884,1.462;1.2886,3.7912,-.5221;.6818,3.9275,2.8321;2.0511,3.2385,4.357;-.4675,4.5112,1.0956;-.0917,4.2232,3.5459;4.8778,3.7019,-.0248;5.8974,3.6189,.9308;4.9288,4.713,-.9883;6.9493,4.5346,.922;5.8741,2.8151,1.6716;5.9767,5.6344,-.9931;4.14,4.7694,-1.7432;6.9904,5.5478,-.0377;7.7456,4.4531,1.6669;6.0043,6.423,-1.7503;7.8149,6.2657,-.0437;/R:/0/N:43,54,39,41,50,52,37,38,48,49,27,36,47,30,26,34,19,13,1,7,5,24,23,17,12,11,6,18,33,21,20,35,22,15,16,9,3,2,8,14,4,10/E:(1,2)(3,4,5,6)(7,8,9,10)(12,13)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,12.3,13.3,14.5,18.5,19.7,20.7,21.4,22.5,23.6,24.6,25.7,26.7,27.8,28.11,31.3,32.3,33.3,34.3,35.3,36.3,37.3,38.4,39.4,40.5,41.5,42.5 Template file Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 12 16 16 16 133 133 12 16 16 16 133 133 12 16 16 16 133 133 12 16 16 16 133 133 1 12 12 1 1 12 1 1 14 12 16 12 12 12 12 1 12 1 12 1 1 1 12 12 12 12 1 12 1 12 1 1 1 12.0000000 15.9949146 15.9949146 15.9949146 132.9054290 132.9054290 12.0000000 15.9949146 15.9949146 15.9949146 132.9054290 132.9054290 12.0000000 15.9949146 15.9949146 15.9949146 132.9054290 132.9054290 12.0000000 15.9949146 15.9949146 15.9949146 132.9054290 132.9054290 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 14.0030740 12.0000000 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 2 0 0 0 0 0 0 1 0 1 0 1 1 1 0 0 0 0 1 0 1 0 1 1 1 3.6000000 5.6000000 5.6000000 5.6000000 0.0000000 0.0000000 3.6000000 5.6000000 5.6000000 5.6000000 0.0000000 0.0000000 3.6000000 5.6000000 5.6000000 5.6000000 0.0000000 0.0000000 3.6000000 5.6000000 5.6000000 5.6000000 0.0000000 0.0000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 4.5500000 3.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 (Enter /cm/shared/apps/spack/cpu/opt/spack/linux-centos8-zen/gcc-8.3.1/gaussian-16.C.01-po5bqktfeugvmjyga3v7eigbecnokxng/g16/l101.exe) Structure from the checkpoint file: "/scratch/kevinkwy/job_37721248/Gau-15221.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 R91 R92 R93 R94 R95 R96 R97 R98 R99 R100 R101 R102 R103 R104 R105 1 1 1 1 1 1 1 2 2 2 3 3 4 4 4 4 5 6 6 6 6 7 7 7 7 7 7 7 8 8 8 9 9 10 10 10 11 11 11 11 11 11 11 12 13 13 13 13 13 14 15 15 16 18 18 18 18 18 19 19 19 19 20 20 21 22 24 24 24 26 26 26 26 26 27 27 27 30 30 30 34 34 34 36 36 37 37 38 38 39 39 41 41 43 47 47 48 48 49 49 50 50 52 52 54 2 3 4 5 6 12 18 5 12 18 6 12 5 6 17 18 35 10 11 14 17 8 9 10 11 12 18 23 12 18 23 11 23 11 12 18 13 14 16 19 20 22 25 18 14 15 16 17 24 17 17 24 24 19 20 21 30 31 20 21 22 23 24 25 23 23 25 30 33 27 30 33 34 35 28 29 33 31 32 33 35 36 47 37 38 39 40 41 42 43 44 43 45 46 48 49 50 51 52 53 54 55 54 56 57 1.2914 1.2806 1.2971 3.266 3.31 3.3039 3.3813 2.9723 3.0044 3.1689 2.9817 2.9848 3.0466 3.112 2.9025 3.2296 2.9109 2.9093 4.156 2.9977 4.2234 1.2934 1.2806 1.2953 3.3311 3.318 3.3926 3.329 3.0082 3.0946 2.9928 3.0409 2.9638 3.1388 3.1134 3.1572 3.5163 3.1414 3.0689 3.7677 3.9064 3.0115 3.2581 4.3462 1.2857 1.2776 1.305 3.4248 3.3645 3.1212 2.9639 3.0098 3.0246 3.5481 3.2616 3.6369 3.6446 3.2847 1.358 1.2505 1.2581 3.3659 3.4813 1.0195 3.0325 3.1003 3.1806 3.3749 3.2018 1.4751 1.4695 1.8564 1.4594 1.7382 1.1186 1.1034 1.4733 1.1006 1.1168 1.4767 1.3927 1.5179 1.5142 1.4002 1.3976 1.3945 1.0929 1.3965 1.0927 1.397 1.0934 1.3953 1.0938 1.0932 1.3999 1.3976 1.3946 1.0933 1.3954 1.0933 1.3962 1.0934 1.3957 1.0936 1.0932 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 A190 A191 A192 A193 A194 A195 A196 A197 A198 A199 A200 A201 A202 A203 A204 A205 A206 A207 A208 A209 A210 A211 A212 A213 A214 A215 A216 A217 A218 A219 A220 A221 A222 A223 A224 A225 A226 A227 A228 A229 A230 A231 A232 A233 A234 A235 A236 A237 A238 A239 A240 A241 A242 A243 A244 A245 A246 A247 A248 A249 A250 A251 A252 A253 A254 A255 A256 A257 A258 A259 A260 A261 A262 A263 A264 A265 A266 A267 A268 A269 A270 A271 A272 A273 A274 A275 A276 A277 A278 A279 A280 A281 A282 A283 A284 A285 A286 A287 A288 A289 A290 A291 A292 A293 A294 2 2 2 3 3 3 4 5 5 5 6 6 5 6 5 5 6 17 1 2 2 4 1 1 1 1 3 3 3 3 3 4 4 4 10 10 11 8 8 8 9 9 9 10 11 11 11 12 18 18 11 6 6 11 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 13 13 13 13 14 14 14 14 14 16 16 16 16 19 20 22 1 1 1 2 2 2 2 3 3 3 3 8 11 11 14 14 14 15 16 17 11 17 11 4 4 4 6 6 14 1 1 1 1 1 1 1 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 7 7 7 7 7 8 8 8 8 8 8 10 10 10 10 10 12 12 12 12 12 19 19 20 20 20 21 21 11 11 11 18 18 20 20 20 21 11 11 18 18 19 19 18 11 7 7 7 8 8 8 8 9 9 9 21 13 13 13 13 15 15 15 15 15 16 16 16 16 20 20 25 25 27 27 27 30 30 33 26 26 28 28 29 18 18 18 18 24 24 24 26 26 31 31 32 24 24 27 26 26 35 35 36 5 5 34 34 37 36 36 39 36 36 41 37 37 43 38 38 43 39 39 41 34 34 48 47 47 50 47 47 52 48 48 54 49 49 54 50 50 52 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 4 5 5 5 5 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 8 9 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 14 15 16 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 21 22 23 23 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 26 26 26 26 26 26 27 27 27 27 27 30 30 30 30 30 30 30 30 30 30 30 30 33 33 33 34 34 34 34 34 35 35 36 36 36 37 37 37 38 38 38 39 39 39 41 41 41 43 43 43 47 47 47 48 48 48 49 49 49 50 50 50 52 52 52 54 54 54 3 4 6 4 5 18 12 6 12 18 12 18 18 12 17 18 18 18 35 4 35 35 10 11 14 17 4 10 11 14 17 10 11 14 14 17 17 9 10 11 10 12 18 23 12 18 23 23 23 23 23 12 18 18 7 9 13 16 19 20 22 25 13 14 16 19 20 22 25 10 13 14 16 19 20 22 25 13 14 16 19 20 22 25 19 20 22 25 16 19 20 22 25 19 20 22 25 25 22 25 7 8 10 3 7 8 10 7 8 10 18 10 17 24 15 16 24 16 17 24 17 24 24 13 14 15 13 15 15 7 8 10 19 20 30 31 4 7 8 10 20 30 31 7 8 10 12 19 20 21 30 31 19 20 21 30 31 10 19 20 21 30 31 19 20 21 30 31 19 20 21 30 31 30 31 21 30 31 30 31 18 21 23 22 23 21 22 23 22 18 24 24 25 24 25 23 23 19 21 22 9 19 21 22 19 21 22 22 20 25 30 33 16 20 25 30 33 20 25 30 33 30 33 30 33 30 34 35 34 35 34 28 29 29 33 33 24 26 32 33 26 31 32 31 32 32 33 33 26 27 30 36 47 36 47 47 26 34 37 38 38 39 40 40 41 42 42 43 44 44 43 45 45 41 46 46 48 49 49 50 51 51 52 53 53 54 55 55 54 56 56 52 57 57 120.8395 118.8596 140.2824 120.2795 141.2597 128.7512 147.7072 138.6414 130.0619 89.9168 87.5256 78.4035 99.7539 100.1225 95.9968 96.8748 83.6428 89.2989 100.6603 43.4447 96.1041 87.7822 76.4666 114.2142 91.7937 66.3814 42.9768 80.2904 126.9096 114.3884 85.3396 89.2032 112.2042 75.6846 77.6662 109.1311 96.3786 120.7432 118.8449 137.4471 120.393 140.6892 138.4664 154.5852 139.7739 83.0612 91.1329 126.126 92.8738 106.2762 104.74 98.7974 88.3087 90.1618 67.1682 85.1644 66.1531 87.6375 108.4876 97.4716 124.7921 96.2619 105.2223 88.4541 115.3262 73.1427 83.164 78.2002 94.2678 42.3744 126.7928 111.0299 132.4568 78.3089 94.0515 76.5265 106.5509 92.275 72.2996 108.5992 85.7049 88.7309 95.4233 96.6584 70.6725 50.4523 84.3989 40.5447 42.1858 77.2663 59.1562 93.6964 53.2963 59.8077 40.6166 69.6155 28.1162 31.8627 34.8541 43.8996 91.6097 94.9088 73.927 43.8595 96.4846 90.6995 85.3922 98.9409 109.7797 77.023 68.9852 42.6584 128.2629 122.1426 121.2421 119.3264 151.343 119.4199 161.576 103.0096 171.5924 125.6286 162.5121 97.6136 76.8939 119.1642 66.0438 84.0798 42.9737 88.9964 91.797 72.3102 160.2765 153.5606 116.3599 132.5593 40.7545 91.9609 86.1345 81.9763 173.6313 118.7308 130.3211 103.5672 111.7238 82.9538 70.2713 151.4821 133.6791 170.5093 96.4459 113.5709 75.3578 92.8774 79.2231 148.4876 137.0584 41.7551 78.3573 99.8857 74.291 151.7161 134.7052 89.283 101.0944 98.1248 146.7789 145.9881 121.6984 141.5844 117.1301 162.4144 166.1399 75.4567 61.7062 36.8341 56.0002 45.6684 77.4471 60.81 75.024 141.2847 83.4169 115.892 89.5364 115.6194 117.8146 155.8394 126.553 76.3305 109.086 117.4109 96.9467 151.838 112.8579 93.3827 102.1698 78.6818 89.5583 77.0342 44.1233 82.7226 85.438 89.1708 86.225 102.8684 76.3165 42.8422 55.3856 42.1481 70.827 93.7257 43.3756 75.818 64.051 73.0825 89.7079 45.3878 28.7469 82.5284 108.0241 56.754 79.3235 66.7665 91.5895 91.84 131.1562 128.3707 129.0282 126.987 132.4897 114.9584 118.6205 109.2479 116.4084 116.922 110.3089 101.2553 65.105 178.9869 143.1018 92.6819 64.8251 119.2534 115.2552 108.7967 117.0864 115.87 130.9027 126.8377 91.6241 117.7023 118.4536 114.75 115.4494 111.1258 154.4217 151.2667 121.6377 119.4014 118.9599 120.4424 119.7639 119.7806 120.7034 118.83 120.4571 120.2945 119.6906 120.0135 120.0411 119.7896 120.1653 119.5544 120.1999 120.2446 121.1126 119.7397 119.1378 120.4036 119.377 120.205 120.499 119.1432 120.3567 120.2049 119.7405 120.0538 120.1384 119.8346 120.0265 119.614 120.1739 120.2113 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 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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D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 183.8423 180.5176 185.4698 182.8281 174.0396 188.5967 192.6866 168.2195 192.2366 211.2638 139.1569 176.8345 188.1328 175.0625 174.835 197.3088 186.5458 180.3415 193.9815 198.565 187.9875 198.8376 176.9897 187.0369 181.194 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 D340 D341 D342 D343 D344 D345 D346 D347 D348 D349 D350 D351 D352 D353 D354 D355 D356 D357 D358 D359 D360 D361 D362 D363 D364 D365 D366 D367 D368 D369 D370 D371 D372 D373 D374 D375 D376 D377 D378 D379 D380 D381 D382 D383 D384 D385 D386 D387 D388 D389 D390 D391 D392 D393 D394 D395 D396 D397 D398 D399 D400 D401 D402 D403 D404 D405 D406 D407 D408 D409 D410 D411 D412 D413 D414 D415 D416 D417 D418 D419 D420 D421 D422 D423 D424 D425 D426 D427 D428 D429 D430 D431 D432 D433 D434 D435 D436 D437 D438 D439 D440 D441 D442 D443 D444 D445 D446 D447 D448 D449 D450 D451 D452 D453 D454 D455 D456 D457 D458 D459 D460 D461 D462 D463 D464 D465 D466 D467 D468 D469 D470 D471 D472 D473 D474 D475 D476 D477 D478 D479 D480 D481 D482 D483 D484 D485 D486 D487 D488 D489 D490 D491 D492 D493 D494 D495 D496 D497 D498 D499 D500 D501 D502 D503 D504 D505 D506 D507 D508 D509 D510 D511 D512 D513 D514 D515 D516 D517 D518 D519 D520 D521 D522 D523 D524 D525 D526 D527 D528 D529 D530 D531 D532 D533 D534 D535 D536 D537 D538 D539 D540 D541 D542 D543 D544 D545 D546 D547 D548 D549 D550 D551 D552 D553 D554 D555 D556 D557 D558 D559 D560 D561 D562 D563 D564 D565 D566 D567 D568 D569 D570 D571 D572 D573 D574 D575 D576 D577 D578 D579 D580 D581 D582 D583 D584 D585 D586 D587 D588 D589 D590 D591 D592 D593 D594 D595 D596 D597 D598 D599 D600 D601 D602 D603 D604 D605 D606 D607 D608 D609 D610 D611 D612 D613 D614 D615 D616 D617 D618 D619 D620 D621 D622 D623 D624 D625 D626 D627 D628 D629 D630 D631 D632 D633 D634 D635 D636 D637 D638 D639 D640 D641 D642 D643 D644 D645 D646 D647 D648 D649 D650 D651 D652 D653 D654 D655 D656 D657 D658 D659 D660 D661 D662 D663 D664 D665 D666 D667 D668 D669 D670 D671 D672 D673 D674 D675 D676 D677 D678 D679 D680 D681 D682 D683 D684 D685 D686 D687 D688 D689 D690 D691 D692 D693 D694 D695 D696 D697 D698 D699 D700 D701 D702 D703 D704 D705 D706 D707 D708 D709 D710 D711 D712 D713 D714 D715 D716 D717 D718 D719 D720 D721 D722 D723 D724 D725 D726 D727 D728 D729 D730 D731 D732 D733 D734 D735 D736 D737 D738 D739 D740 D741 D742 D743 D744 D745 D746 D747 D748 D749 D750 D751 D752 D753 D754 D755 D756 D757 D758 D759 D760 D761 D762 D763 D764 D765 D766 D767 D768 D769 D770 D771 D772 D773 D774 D775 D776 D777 D778 D779 D780 D781 D782 D783 D784 D785 D786 D787 D788 D789 D790 D791 D792 D793 2 2 2 3 3 3 12 12 12 3 6 12 18 2 2 2 2 5 5 5 5 12 12 12 12 18 18 18 18 4 4 4 5 5 5 6 6 6 3 3 3 3 3 3 3 5 5 5 5 5 5 5 6 6 6 6 6 6 6 18 18 4 4 4 4 35 35 35 35 5 5 5 5 5 5 5 12 12 12 12 12 6 6 6 6 6 17 17 18 18 18 18 18 18 5 5 5 18 18 18 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 17 17 17 17 17 17 17 17 17 17 1 1 2 2 4 4 1 1 1 3 3 3 4 4 4 14 14 14 17 17 17 1 1 3 3 4 4 14 14 17 17 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 17 17 17 17 17 17 17 17 1 1 1 3 3 3 4 4 4 10 10 10 1 1 3 3 10 10 11 11 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 18 18 18 18 18 18 18 18 23 23 23 23 23 23 23 23 9 9 9 11 11 11 23 23 23 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 23 23 23 23 23 23 23 23 10 10 10 11 11 11 12 12 12 18 18 18 6 6 6 6 6 7 7 7 7 7 9 9 9 9 9 10 10 10 10 10 13 13 13 13 14 14 14 14 14 16 16 16 16 19 19 19 19 19 22 22 22 22 22 1 1 1 1 2 2 2 2 3 3 3 3 10 10 10 10 23 23 23 23 23 23 23 23 23 18 18 18 18 23 23 23 23 23 23 23 23 23 11 11 11 11 18 18 18 18 18 18 18 18 6 6 6 6 6 6 6 6 6 6 6 6 6 11 11 11 11 11 11 11 11 11 6 6 7 7 9 9 10 10 19 19 20 20 22 22 25 25 7 9 10 16 19 20 22 25 6 7 9 10 14 19 20 22 25 6 6 6 7 7 7 9 9 9 10 10 10 13 13 13 14 14 14 16 16 16 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1 1 1 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 5 5 5 5 5 5 5 5 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 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 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 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17 17 17 17 17 17 17 17 17 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 12 12 12 12 12 12 12 12 12 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 5 5 12 12 12 12 12 12 12 12 18 18 18 18 18 18 18 6 6 6 6 6 12 12 12 12 12 5 5 5 5 6 6 6 6 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 35 35 35 35 35 35 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 13 13 13 17 17 17 17 17 17 17 17 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 23 23 23 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 18 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30 30 30 30 33 33 33 33 33 33 33 33 33 33 27 27 27 27 27 27 30 30 30 30 30 30 30 30 30 30 30 30 33 34 34 34 34 34 34 35 35 33 33 33 33 33 33 33 35 35 36 36 36 36 36 36 47 47 47 47 47 47 37 37 37 37 38 38 38 38 39 39 39 39 41 41 41 41 43 43 43 43 43 43 43 43 48 48 48 48 49 49 49 49 50 50 50 50 52 52 52 52 54 54 54 54 54 54 54 54 13 14 15 13 14 15 13 14 15 35 35 35 35 10 11 14 17 10 11 14 17 10 11 14 17 10 11 14 17 7 8 10 7 8 10 7 8 10 7 8 10 19 20 30 31 7 8 10 19 20 30 31 7 8 10 19 20 30 31 4 35 3 7 8 10 3 7 8 10 4 7 8 10 20 30 31 4 10 11 14 17 2 7 8 10 18 2 35 2 35 3 10 11 14 13 14 15 13 14 15 2 7 8 10 12 19 20 21 30 31 2 7 8 10 12 19 20 21 30 31 2 7 8 10 12 19 20 21 30 31 26 34 26 34 26 34 8 9 23 8 9 23 8 9 23 8 9 23 8 9 23 12 18 12 18 12 18 12 18 12 18 7 9 13 16 19 20 22 25 7 9 13 16 19 20 22 25 7 9 13 16 19 20 22 25 7 9 13 16 19 20 22 25 15 16 24 15 16 24 15 16 24 15 16 24 13 15 13 15 13 15 13 15 6 13 14 16 19 20 22 25 6 13 14 16 19 20 22 25 6 13 14 16 19 20 22 25 6 13 14 16 19 20 22 25 1 2 3 1 2 3 1 2 3 1 2 4 19 20 21 30 31 1 2 4 19 20 21 30 31 1 2 4 19 20 21 30 31 19 21 22 19 21 22 19 21 22 19 21 22 13 15 16 30 33 13 15 16 30 33 13 15 16 30 33 13 15 16 30 33 15 16 30 33 13 15 16 30 33 13 15 30 33 13 15 16 30 33 13 15 16 30 33 9 19 21 22 9 19 21 22 9 19 21 22 9 19 21 22 1 2 4 10 19 20 21 30 31 9 19 21 22 6 10 13 14 16 19 20 22 25 8 19 21 22 9 13 14 16 19 20 22 25 1 2 3 8 1 2 4 8 19 20 21 30 31 1 2 4 8 19 20 21 30 31 17 24 17 24 17 24 17 24 17 24 17 24 17 24 17 24 17 17 17 17 17 17 17 17 24 24 24 24 24 24 24 24 24 18 21 23 18 21 23 18 21 23 18 21 23 18 21 23 18 21 23 18 21 23 18 21 23 18 24 18 24 18 24 18 24 18 24 18 24 18 24 18 24 23 23 23 23 23 23 23 23 23 4 19 20 21 30 31 4 6 4 6 4 6 20 25 30 33 20 25 30 33 20 25 30 33 4 15 4 6 14 16 20 25 30 33 15 20 25 30 33 11 22 23 11 22 23 11 22 23 11 22 23 11 22 23 11 22 23 11 22 23 11 22 23 11 24 25 11 24 25 11 24 25 11 24 25 11 24 25 11 24 25 11 24 25 11 24 25 11 24 25 11 24 25 23 23 23 23 23 23 23 23 24 26 32 33 24 26 32 33 24 26 32 33 24 26 32 33 24 26 32 33 24 26 32 33 24 26 32 33 24 26 32 33 24 26 32 33 24 26 32 33 24 25 24 25 24 25 7 8 9 7 8 9 7 8 9 13 15 16 30 33 13 15 16 30 33 13 15 16 30 33 11 7 8 9 22 7 8 9 21 18 26 31 32 18 26 31 32 18 26 31 32 18 26 31 32 18 26 31 32 26 27 26 27 26 27 26 27 26 27 28 29 28 29 28 29 18 24 31 32 18 24 31 32 18 24 31 32 24 36 47 36 47 36 47 5 5 24 30 24 30 27 27 27 5 5 37 38 37 38 37 38 48 49 48 49 48 49 39 40 39 40 41 42 41 42 43 44 43 44 43 45 43 45 41 46 41 46 39 46 39 46 50 51 50 51 52 53 52 53 54 55 54 55 54 56 54 56 52 57 52 57 50 57 50 57 87.4676 95.1321 86.9165 -85.9928 -78.3283 -86.544 1.3634 9.028 0.8123 -170.0329 -59.0086 91.4367 13.1809 10.657 -21.2347 -66.2017 -107.5826 123.2822 91.3904 46.4234 5.0425 -34.5164 -66.4081 -111.3751 -152.756 46.8942 15.0025 -29.9646 -71.3454 2.6806 25.4079 -12.136 -113.7494 -91.0221 -128.566 47.2104 69.9377 32.3937 -16.092 -38.3165 -0.8222 20.9685 78.3546 144.4563 151.845 161.3295 139.1051 176.5993 -161.6099 -104.2238 -38.1221 -30.7335 -58.6273 -80.8517 -43.3575 -21.5668 35.8194 101.921 109.3097 65.6528 -14.588 -38.7133 52.6035 74.872 32.4397 -115.7234 -24.4065 -2.1381 -44.5704 -64.8604 -173.5129 164.8484 -153.3594 -34.0891 -0.9633 14.6891 -114.6379 -15.2603 -31.1137 -86.8683 -125.5976 111.3452 21.272 42.1698 14.4054 62.5216 -152.5617 -51.2797 -62.5461 38.736 106.6162 30.0604 -14.2779 -47.4112 133.2314 140.7656 132.748 36.3923 43.9265 35.9088 61.2515 138.1838 116.2577 147.1217 101.8034 -137.586 -114.2478 -115.7382 -66.3325 -63.8599 -113.5835 -36.6513 -58.5773 -27.7134 -73.0316 47.5789 70.9172 69.4268 118.8324 121.3051 157.2073 -125.8604 -147.7865 -116.9225 -162.2408 -41.6302 -18.292 -19.7824 29.6233 32.0959 62.8819 -123.7394 85.9744 -100.647 43.2704 -143.3509 -9.1818 177.3875 -98.9969 -31.839 154.7303 -121.654 10.6206 -162.81 -79.1944 85.9694 -87.4613 -3.8456 50.5475 -122.8832 -39.2675 37.4383 -50.0214 14.5581 -72.9016 56.8305 -30.6292 132.3479 44.8882 96.1279 8.6682 41.8166 55.9688 -78.0233 -76.9931 -19.9847 -37.495 -13.9404 -50.191 19.8002 33.9524 -100.0397 -99.0095 -42.001 -59.5114 -35.9568 -72.2074 66.8214 80.9736 -53.0185 -51.9883 5.0201 -12.4902 11.0644 -25.1863 108.7526 122.9048 -11.0874 -10.0572 46.9513 29.441 52.9956 16.7449 -81.9044 113.0851 -2.1833 -82.8941 112.0954 -3.173 -66.6478 128.3417 13.0733 -157.2012 37.7883 -77.48 125.0726 137.3532 138.066 150.3466 60.0351 72.3157 11.3973 23.6779 -109.4565 -54.1494 -67.4682 -33.8589 9.6921 -8.3536 26.6332 -14.4507 -0.879 54.4281 41.1093 74.7186 118.2697 100.2239 135.2108 94.1269 -67.5881 -12.2811 -25.5999 8.0094 51.5605 33.5147 68.5016 27.4177 -160.3457 -105.0386 -118.3574 -84.7481 -41.1971 -59.2428 -24.256 -65.3398 -152.5172 -175.0577 -130.8428 -36.1451 -58.6856 -14.4707 118.1228 95.5823 139.7973 153.1482 175.3948 135.8794 -14.7169 -0.4623 -34.8393 7.9595 -13.7925 112.5054 134.752 95.2366 -55.3598 -41.1051 -75.4821 -32.6834 -54.4353 -156.702 -134.4554 -173.9708 35.4328 49.6875 15.3105 58.1092 36.3573 4.4058 23.3664 -17.986 46.0222 64.9827 23.6303 -117.6914 -98.7309 -140.0833 -37.0861 -18.1256 -59.478 -14.6316 -23.0758 -48.309 52.5931 52.7192 -81.3717 -89.8159 -115.0491 -14.147 -14.021 -101.146 -109.5901 -134.8233 -33.9212 -33.7952 -57.2257 -65.6698 -90.903 9.9991 10.1251 -8.4442 -33.6773 67.2247 67.3508 -15.4429 -23.887 -49.1202 51.7819 51.9079 33.6773 25.2332 100.9021 101.0281 -125.5994 -134.0436 -159.2767 -58.3747 -58.2486 -142.9979 -151.4421 -176.6752 -75.7732 -75.6471 -87.831 -4.9083 16.7907 -26.0622 -110.5988 -27.6761 -5.9771 -48.83 -69.2751 13.6477 35.3467 -7.5062 -34.2 48.7227 70.4217 27.5688 177.0261 -161.2476 166.3394 116.4756 14.2577 20.8466 -5.9039 -8.2224 -13.5089 -106.9353 -14.853 6.8419 -35.8946 -131.4506 -117.9306 -76.1962 -92.7169 -49.1211 -21.4226 -34.2795 -3.9253 -36.3415 107.0921 23.656 37.747 3.816 111.174 -36.5837 -44.1566 -22.29 33.8349 13.7542 48.0026 3.8616 -38.0398 -58.3476 -14.7139 -154.4061 49.9518 70.7584 29.6443 163.9501 -122.8507 -103.5826 -140.8429 -61.372 -92.8464 136.6696 157.4762 116.3621 -109.3321 -36.1329 -16.8648 -54.1251 25.3458 -6.1285 17.4672 163.9969 -38.4803 108.0495 -46.0657 100.464 -19.386 127.1438 -104.0289 42.5009 -105.8572 40.6725 -114.6155 31.9142 -116.9753 29.5545 -32.8965 -33.9861 -16.4457 -164.7335 -105.96 -115.8561 -110.9653 -129.3833 131.751 68.4419 50.4997 92.031 123.926 18.7227 27.3902 3.1004 23.7602 7.7559 67.3344 99.0417 -50.318 9.2605 40.9678 -73.0399 -13.4614 18.2459 -30.8557 28.7228 60.4301 63.0737 122.6522 154.3595 41.95 101.5285 133.2358 83.5843 143.1629 174.8701 79.0883 138.6669 170.3741 29.8762 -84.7815 -35.9269 -150.5846 -55.7684 -170.4261 -13.7011 -128.3588 80.3006 -34.3571 56.3621 -58.2956 107.3557 -7.302 -115.0762 130.2661 77.9275 26.819 3.7121 41.915 133.6774 114.4627 149.7637 121.8216 135.8896 7.7901 -143.3319 -128.9758 -165.7278 50.3353 116.45 19.1133 -17.1946 -89.9158 -126.2237 -132.2486 -168.5566 -43.2514 -29.3045 -105.5237 -117.5555 47.8753 61.8222 -14.3969 -26.4288 110.3613 124.3082 48.089 36.0572 15.5095 -174.7831 -101.8851 -135.1315 -113.3802 122.3363 84.27 97.1212 25.213 5.2112 -151.0579 -28.1691 -23.8549 -77.8281 -81.6789 9.8501 -9.3764 -73.4589 -43.1771 -62.4036 -126.4862 48.3705 29.144 -34.9386 71.1741 51.9476 -12.135 30.5635 11.3369 -52.7456 64.6155 45.389 -18.6935 -119.6139 -138.8404 157.077 -130.9143 -150.1408 145.7766 -58.5951 46.0572 -18.9038 -104.4488 0.2034 -64.7576 -76.9448 27.7075 -37.2535 34.9418 139.5941 74.633 56.3626 161.0149 96.0539 13.8806 118.5329 53.5719 39.9888 144.6411 79.68 102.6453 -152.7024 142.3366 -139.7601 -35.1079 -100.0689 -157.7429 -53.0907 -118.0517 -124.8981 -16.8585 5.6018 -29.0166 14.9752 -126.6962 -175.5234 179.4165 -116.4287 44.1475 -68.6343 95.6627 -141.6434 18.9329 -93.849 70.448 -105.4889 55.0874 -57.6945 106.6025 24.0011 -175.4226 71.7955 -123.9075 69.428 -129.9958 117.2223 -78.4807 -18.5164 142.0599 29.278 -166.425 -145.3202 15.256 -97.5259 66.7711 46.6668 -152.757 94.4611 -101.2419 34.1634 -165.2603 81.9578 -113.7452 67.1414 -132.2823 114.9358 -80.7672 112.9416 -168.4873 -68.2831 10.288 -164.0035 -85.4324 -39.8153 -62.5837 -18.3763 35.1618 12.3934 56.6008 23.7738 1.0054 45.2128 33.5472 43.2735 6.7726 122.1323 135.6973 -50.5836 -40.8574 -77.3582 38.0015 51.5664 125.3693 135.0956 98.5947 -146.0456 -132.4807 -179.4549 16.8787 -5.5937 35.2141 88.1153 -26.9674 -46.4739 -3.8121 -130.6555 29.1471 -117.9487 90.7444 -18.7918 52.4331 -94.6627 114.0305 4.4942 9.0153 -138.0805 70.6127 -38.9236 -31.4349 -178.5307 30.1625 -79.3738 -16.0268 -163.1226 45.5706 -63.9656 6.6266 -60.3602 28.5137 -38.4731 -11.4861 -78.4729 -47.1058 -114.0925 -35.5173 -102.504 80.3794 -147.6924 -129.7536 2.1745 -62.1072 69.821 -147.5242 1.18 147.8337 -79.9008 61.5901 -149.7057 -3.052 129.2135 -4.2291 144.4751 -68.8712 63.3943 137.4208 -139.0529 -0.6749 0.7147 139.0927 -68.5897 69.7883 60.1755 -70.1871 4.39 -78.9181 -127.2905 149.4015 -85.0042 -150.2799 79.1622 69.5146 -61.7022 67.7124 -111.914 153.2052 -26.4211 -73.528 106.8457 -59.7115 121.4479 -145.8782 35.2812 81.2052 -97.6354 -179.3453 -0.6691 0.2827 178.9588 179.9709 1.0866 0.3346 -178.5498 -0.5902 178.9871 -179.2662 0.3112 -0.6469 -179.9209 178.2193 -1.0547 0.2768 179.8898 -179.2991 0.3139 0.337 -179.2758 179.6083 -0.0045 -178.7724 2.6061 0.0751 -178.5464 178.4097 -1.9842 -0.4539 179.1522 0.3375 -179.3422 178.9475 -0.7322 0.4217 -179.8211 -179.1796 0.5775 -0.3714 179.9581 179.3073 -0.3632 -0.0061 179.6643 -179.7627 -0.0924 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 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|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. saddle point 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. -0.02187 0.00000 0.00004 0.00009 0.00010 0.00020 0.00025 0.00043 0.00051 0.00062 0.00085 0.00093 0.00097 0.00117 0.00143 0.00146 0.00153 0.00168 0.00180 0.00182 0.00197 0.00208 0.00211 0.00230 0.00262 0.00273 0.00295 0.00300 0.00320 0.00333 0.00354 0.00361 0.00384 0.00430 0.00443 0.00457 0.00469 0.00491 0.00496 0.00531 0.00556 0.00590 0.00620 0.00635 0.00648 0.00742 0.00766 0.00806 0.00846 0.00848 0.01084 0.01242 0.01306 0.01553 0.01607 0.01631 0.01676 0.01760 0.01801 0.01811 0.01839 0.01950 0.02073 0.02094 0.02179 0.02400 0.02422 0.02482 0.02540 0.02555 0.02634 0.02680 0.02756 0.02961 0.02985 0.02999 0.03066 0.03072 0.03133 0.03182 0.03274 0.03413 0.03755 0.03927 0.04029 0.04401 0.04606 0.04664 0.04803 0.04998 0.05063 0.05440 0.05472 0.05875 0.06290 0.06499 0.08010 0.08199 0.10299 0.10365 0.10418 0.10751 0.10859 0.10978 0.11069 0.11533 0.11939 0.11954 0.12147 0.12368 0.13507 0.13972 0.15024 0.15299 0.16472 0.17105 0.17683 0.18413 0.18869 0.18952 0.19115 0.19117 0.19190 0.19508 0.19721 0.19966 0.20629 0.22119 0.22673 0.22987 0.25693 0.26902 0.26972 0.27897 0.28658 0.29312 0.29811 0.30530 0.30762 0.30985 0.32084 0.32340 0.33879 0.35460 0.36130 0.36178 0.36283 0.36293 0.36317 0.36458 0.36475 0.36573 0.36691 0.36813 0.37774 0.42649 0.42874 0.42895 0.43288 0.48763 0.48867 0.48957 0.49007 0.52656 0.52764 R74 R72 D719 D718 A258 1 -0.50892 0.25791 -0.21051 0.20100 -0.18395 D710 D701 D708 R17 D698 Angle between quadratic step and forces= 66.50 degrees. Linear search not attempted -- option 19 set. 1 2 3 4 0.00251407 0.00037164 0.00002518 0.00000084 0.01042353 0.00038902 0.00008686 0.00008686 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 R91 R92 R93 R94 R95 R96 R97 R98 R99 R100 R101 R102 R103 R104 R105 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 A190 A191 A192 A193 A194 A195 A196 A197 A198 A199 A200 A201 A202 A203 A204 A205 A206 A207 A208 A209 A210 A211 A212 A213 A214 A215 A216 A217 A218 A219 A220 A221 A222 A223 A224 A225 A226 A227 A228 A229 A230 A231 A232 A233 A234 A235 A236 A237 A238 A239 A240 A241 A242 A243 A244 A245 A246 A247 A248 A249 A250 A251 A252 A253 A254 A255 A256 A257 A258 A259 A260 A261 A262 A263 A264 A265 A266 A267 A268 A269 A270 A271 A272 A273 A274 A275 A276 A277 A278 A279 A280 A281 A282 A283 A284 A285 A286 A287 A288 A289 A290 A291 A292 A293 A294 A295 A296 A297 A298 A299 A300 A301 A302 A303 A304 A305 A306 A307 A308 A309 A310 A311 A312 A313 A314 A315 A316 A317 A318 A319 A320 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 D340 D341 D342 D343 D344 D345 D346 D347 D348 D349 D350 D351 D352 D353 D354 D355 D356 D357 D358 D359 D360 D361 D362 D363 D364 D365 D366 D367 D368 D369 D370 D371 D372 D373 D374 D375 D376 D377 D378 D379 D380 D381 D382 D383 D384 D385 D386 D387 D388 D389 D390 D391 D392 D393 D394 D395 D396 D397 D398 D399 D400 D401 D402 D403 D404 D405 D406 D407 D408 D409 D410 D411 D412 D413 D414 D415 D416 D417 D418 D419 D420 D421 D422 D423 D424 D425 D426 D427 D428 D429 D430 D431 D432 D433 D434 D435 D436 D437 D438 D439 D440 D441 D442 D443 D444 D445 D446 D447 D448 D449 D450 D451 D452 D453 D454 D455 D456 D457 D458 D459 D460 D461 D462 D463 D464 D465 D466 D467 D468 D469 D470 D471 D472 D473 D474 D475 D476 D477 D478 D479 D480 D481 D482 D483 D484 D485 D486 D487 D488 D489 D490 D491 D492 D493 D494 D495 D496 D497 D498 D499 D500 D501 D502 D503 D504 D505 D506 D507 D508 D509 D510 D511 D512 D513 D514 D515 D516 D517 D518 D519 D520 D521 D522 D523 D524 D525 D526 D527 D528 D529 D530 D531 D532 D533 D534 D535 D536 D537 D538 D539 D540 D541 D542 D543 D544 D545 D546 D547 D548 D549 D550 D551 D552 D553 D554 D555 D556 D557 D558 D559 D560 D561 D562 D563 D564 D565 D566 D567 D568 D569 D570 D571 D572 D573 D574 D575 D576 D577 D578 D579 D580 D581 D582 D583 D584 D585 D586 D587 D588 D589 D590 D591 D592 D593 D594 D595 D596 D597 D598 D599 D600 D601 D602 D603 D604 D605 D606 D607 D608 D609 D610 D611 D612 D613 D614 D615 D616 D617 D618 D619 D620 D621 D622 D623 D624 D625 D626 D627 D628 D629 D630 D631 D632 D633 D634 D635 D636 D637 D638 D639 D640 D641 D642 D643 D644 D645 D646 D647 D648 D649 D650 D651 D652 D653 D654 D655 D656 D657 D658 D659 D660 D661 D662 D663 D664 D665 D666 D667 D668 D669 D670 D671 D672 D673 D674 D675 D676 D677 D678 D679 D680 D681 D682 D683 D684 D685 D686 D687 D688 D689 D690 D691 D692 D693 D694 D695 D696 D697 D698 D699 D700 D701 D702 D703 D704 D705 D706 D707 D708 D709 D710 D711 D712 D713 D714 D715 D716 D717 D718 D719 D720 D721 D722 D723 D724 D725 D726 D727 D728 D729 D730 D731 D732 D733 D734 D735 D736 D737 D738 D739 D740 D741 D742 D743 D744 D745 D746 D747 D748 D749 D750 D751 D752 D753 D754 D755 D756 D757 D758 D759 D760 D761 D762 D763 D764 D765 D766 D767 D768 D769 D770 D771 D772 D773 D774 D775 D776 D777 D778 D779 D780 D781 D782 D783 D784 D785 D786 D787 D788 D789 D790 D791 D792 D793 2.44044 2.42007 2.45107 6.17186 6.25503 6.24348 6.38968 5.61680 5.67749 5.98833 5.63461 5.64040 5.75717 5.88089 5.48492 6.10315 5.50076 5.49776 7.85366 5.66490 7.98104 2.44412 2.42008 2.44783 6.29492 6.27018 6.41112 6.29090 5.68461 5.84793 5.65554 5.74641 5.60078 5.93141 5.88345 5.96623 6.64488 5.93640 5.79934 7.12001 7.38200 5.69087 6.15687 8.21305 2.42966 2.41433 2.46607 6.47193 6.35795 5.89815 5.60090 5.68776 5.71570 6.70490 6.16345 6.87275 6.88738 6.20726 2.56631 2.36319 2.37747 6.36055 6.57866 1.92657 5.73059 5.85868 6.01042 6.37757 6.05049 2.78749 2.77698 3.50808 2.75783 3.28474 2.11383 2.08515 2.78419 2.07988 2.11048 2.79048 2.63179 2.86838 2.86138 2.64596 2.64105 2.63521 2.06524 2.63900 2.06495 2.63994 2.06620 2.63677 2.06689 2.06594 2.64543 2.64116 2.63550 2.06599 2.63692 2.06600 2.63840 2.06629 2.63758 2.06661 2.06585 2.10905 2.07449 2.44839 2.09927 2.46545 2.24713 2.57798 2.41975 2.27001 1.56934 1.52761 1.36840 1.74103 1.74747 1.67546 1.69078 1.45984 1.55856 1.75685 0.75825 1.67733 1.53209 1.33459 1.99341 1.60210 1.15857 0.75009 1.40133 2.21499 1.99645 1.48946 1.55689 1.95833 1.32094 1.35553 1.90470 1.68212 2.10737 2.07423 2.39890 2.10125 2.45549 2.41669 2.69802 2.43952 1.44969 1.59057 2.20131 1.62095 1.85487 1.82806 1.72434 1.54128 1.57362 1.17231 1.48640 1.15459 1.52956 1.89347 1.70120 2.17803 1.68009 1.83648 1.54382 2.01282 1.27658 1.45149 1.36485 1.64528 0.73957 2.21295 1.93784 2.31181 1.36675 1.64151 1.33564 1.85966 1.61050 1.26187 1.89541 1.49583 1.54865 1.66545 1.68701 1.23347 0.88056 1.47304 0.70764 0.73628 1.34855 1.03247 1.63531 0.93020 1.04384 0.70889 1.21502 0.49072 0.55611 0.60832 0.76619 1.59889 1.65647 1.29027 0.76549 1.68397 1.58300 1.49037 1.72684 1.91602 1.34430 1.20402 0.74453 2.23861 2.13179 2.11607 2.08264 2.64143 2.08427 2.82003 1.79786 2.99485 2.19263 2.83637 1.70368 1.34205 2.07981 1.15268 1.46747 0.75003 1.55328 1.60216 1.26205 2.79735 2.68014 2.03086 2.31360 0.71130 1.60502 1.50333 1.43076 3.03044 2.07224 2.27453 1.80759 1.94995 1.44782 1.22647 2.64386 2.33314 2.97595 1.68330 1.98219 1.31524 1.62102 1.38270 2.59160 2.39212 0.72876 1.36759 1.74333 1.29662 2.64795 2.35105 1.55828 1.76443 1.71260 2.56178 2.54797 2.12404 2.47111 2.04431 2.83467 2.89969 1.31697 1.07698 0.64288 0.97739 0.79706 1.35171 1.06133 1.30942 2.46588 1.45590 2.02270 1.56270 2.01794 2.05625 2.71991 2.20877 1.33222 1.90391 2.04921 1.69204 2.65007 1.96974 1.62983 1.78320 1.37326 1.56309 1.34450 0.77010 1.44378 1.49117 1.55632 1.50491 1.79539 1.33197 0.74774 0.96666 0.73562 1.23617 1.63582 0.75705 1.32327 1.11790 1.27553 1.56570 0.79217 0.50173 1.44039 1.88538 0.99054 1.38446 1.16530 1.59854 1.60291 2.28911 2.24049 2.25197 2.21634 2.31238 2.00640 2.07032 1.90673 2.03171 2.04067 1.92525 1.76724 1.13630 3.12391 2.49760 1.61760 1.13141 2.08137 2.01158 1.89886 2.04354 2.02231 2.28468 2.21374 1.59914 2.05429 2.06740 2.00276 2.01497 1.93951 2.69517 2.64010 2.12298 2.08395 2.07624 2.10212 2.09027 2.09057 2.10667 2.07398 2.10237 2.09954 2.08900 2.09463 2.09511 2.09072 2.09728 2.08662 2.09788 2.09866 2.11381 2.08985 2.07935 2.10144 2.08352 2.09797 2.10310 2.07944 2.10062 2.09797 2.08987 2.09533 2.09681 2.09151 2.09486 2.08766 2.09743 2.09808 3.24548 3.20865 3.15063 3.23706 3.19095 3.03756 3.29163 3.36302 2.93598 3.35516 3.68725 2.42875 3.08634 3.28354 3.05542 3.05145 3.44369 3.25584 3.14755 3.38562 3.46561 3.28100 3.47037 3.08905 3.26441 3.16243 1.52660 1.66037 1.51698 -1.50086 -1.36709 -1.51048 0.02380 0.15757 0.01418 -2.96763 -1.02989 1.59587 0.23005 0.18600 -0.37062 -1.15544 -1.87767 2.15168 1.59506 0.81024 0.08801 -0.60242 -1.15904 -1.94386 -2.66609 0.81846 0.26184 -0.52298 -1.24521 0.04679 0.44345 -0.21181 -1.98530 -1.58863 -2.24390 0.82398 1.22064 0.56538 -0.28086 -0.66875 -0.01435 0.36597 1.36755 2.52124 2.65019 2.81573 2.42784 3.08224 -2.82063 -1.81905 -0.66536 -0.53640 -1.02324 -1.41113 -0.75673 -0.37641 0.62517 1.77886 1.90781 1.14586 -0.25461 -0.67567 0.91810 1.30676 0.56618 -2.01975 -0.42597 -0.03732 -0.77790 -1.13203 -3.02837 2.87715 -2.67663 -0.59497 -0.01681 0.25637 -2.00081 -0.26634 -0.54304 -1.51614 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2.09014 2.07938 2.10145 2.08331 2.09818 2.10305 2.07973 2.10039 2.09794 2.08989 2.09534 2.09683 2.09149 2.09486 2.08768 2.09743 2.09806 3.24577 3.20858 3.14910 3.23618 3.19204 3.03785 3.29160 3.36350 2.93390 3.35481 3.68703 2.42760 3.08625 3.28165 3.05447 3.05207 3.44485 3.25555 3.14830 3.38643 3.46542 3.28010 3.47444 3.10317 3.26436 3.16322 1.52660 1.66027 1.51717 -1.50029 -1.36662 -1.50972 0.02482 0.15849 0.01540 -2.97020 -1.03041 1.59229 0.22781 0.18616 -0.37017 -1.15500 -1.87685 2.14939 1.59307 0.80824 0.08639 -0.60230 -1.15863 -1.94345 -2.66530 0.81868 0.26235 -0.52248 -1.24433 0.04620 0.44291 -0.21216 -1.98362 -1.58692 -2.24198 0.82363 1.22034 0.56527 -0.28064 -0.66835 -0.01431 0.36341 1.36296 2.52011 2.64763 2.81577 2.42805 3.08210 -2.82336 -1.82381 -0.66667 -0.53915 -1.02309 -1.41081 -0.75677 -0.37904 0.62051 1.77766 1.90518 1.14676 -0.25496 -0.67484 0.91940 1.30808 0.56749 -2.02093 -0.42669 -0.03801 -0.77859 -1.13306 -3.02898 2.87654 -2.67740 -0.60646 -0.01761 0.25538 -2.00060 -0.26627 -0.54232 -1.51559 -2.19131 1.94321 0.37086 0.73554 0.25136 1.09127 -2.66238 -0.89736 -1.09257 0.67244 1.86092 0.52490 -0.24899 -0.82710 2.32396 2.45529 2.31579 0.63582 0.76714 0.62765 1.06972 2.41248 2.03015 2.56826 1.77738 -2.40472 -1.99587 -2.03345 -1.15855 -1.11680 -1.98234 -0.63958 -1.02192 -0.48381 -1.27469 0.82640 1.23525 1.19767 2.07256 2.11431 2.74390 -2.19653 -2.57886 -2.04075 -2.83163 -0.73054 -0.32169 -0.35928 0.51562 0.55737 1.11335 -2.16961 1.51610 -1.76686 0.77047 -2.51250 -0.16102 3.09491 -1.73065 -0.55650 2.69943 -2.12613 0.18460 -2.84265 -1.38503 1.49981 -1.52743 -0.06981 0.88182 -2.14543 -0.68781 0.65347 -0.87326 0.25408 -1.27264 0.99196 -0.53477 2.31019 0.78346 1.67813 0.15140 0.72940 0.97667 -1.36163 -1.34346 -0.34845 -0.65393 -0.24287 -0.87559 0.34494 0.59221 -1.74609 -1.72792 -0.73291 -1.03839 -0.62733 -1.26005 1.16593 1.41320 -0.92510 -0.90694 0.08807 -0.21740 0.19366 -0.43907 1.89771 2.14498 -0.19332 -0.17516 0.81985 0.51438 0.92544 0.29271 -1.42988 1.97355 -0.03915 -1.44734 1.95610 -0.05660 -1.16350 2.23993 0.22723 -2.74364 0.65979 -1.35290 2.18325 2.39775 2.40981 2.62431 1.04804 1.26254 0.19875 0.41325 -1.91112 -0.94500 -1.17759 -0.59061 0.17000 -0.14534 0.46555 -0.25190 -0.01491 0.95121 0.71862 1.30560 2.06621 1.75087 2.36176 1.64431 -1.17965 -0.21353 -0.44612 0.14086 0.90147 0.58613 1.19702 0.47957 -2.79984 -1.83372 -2.06631 -1.47933 -0.71872 -1.03406 -0.42317 -1.14063 -2.66069 -3.05409 -2.28235 -0.63102 -1.02441 -0.25268 2.06352 1.67013 2.44186 2.67189 3.06016 2.37046 -0.25758 -0.00939 -0.60820 0.13698 -0.24027 1.96305 2.35131 1.66162 -0.96642 -0.71823 -1.31705 -0.57186 -0.94912 -2.73556 -2.34729 -3.03699 0.61816 0.86634 0.26753 1.01272 0.63546 0.07739 0.40789 -0.31348 0.80298 1.13348 0.41211 -2.05560 -1.72509 -2.44647 -0.64790 -0.31739 -1.03877 -0.25462 -0.40236 -0.84119 0.91911 0.92020 -1.41980 -1.56755 -2.00638 -0.24607 -0.24498 -1.76490 -1.91264 -2.35147 -0.59117 -0.59008 -0.99836 -1.14610 -1.58493 0.17537 0.17646 -0.14775 -0.58657 1.17373 1.17482 -0.26930 -0.41704 -0.85587 0.90443 0.90552 0.58657 0.43883 1.76030 1.76139 -2.19260 -2.34034 -2.77917 -1.01887 -1.01778 -2.49601 -2.64376 -3.08259 -1.32229 -1.32119 -1.53172 -0.08514 0.29356 -0.45457 -1.92924 -0.48267 -0.10397 -0.85209 -1.20750 0.23907 0.61777 -0.13035 -0.59708 0.84949 1.22819 0.48007 3.08841 -2.81555 2.90173 2.03247 0.24862 0.36314 -0.10270 -0.14140 -0.23297 -1.86631 -0.25933 0.11923 -0.62672 -2.29543 -2.05877 -1.33027 -1.61875 -0.85756 -0.37361 -0.59850 -0.06827 -0.63462 1.86896 0.41258 0.65783 0.06635 1.94103 -0.63776 -0.77005 -0.38794 0.59194 0.24132 0.83911 0.06853 -0.66396 -1.01841 -0.25679 -2.69556 0.87205 1.23523 0.51757 2.86237 -2.14414 -1.80862 -2.45751 -1.07456 -1.62221 2.38505 2.74824 2.03058 -1.90780 -0.63113 -0.29562 -0.94451 0.43845 -0.10920 0.30444 2.86319 -0.67260 1.88615 -0.80499 1.75376 -0.33929 2.21946 -1.81697 0.74178 -1.84822 0.71053 -2.00172 0.55703 -2.04203 0.51673 -0.57854 -0.59750 -0.29140 -2.87880 -1.85379 -2.02591 -1.94120 -2.26190 2.30150 1.19592 0.88276 1.60766 2.16500 0.32760 0.47946 0.05504 0.41633 0.13445 1.17698 1.72786 -0.87855 0.16398 0.71485 -1.27522 -0.23269 0.31818 -0.53907 0.50346 1.05433 1.10016 2.14269 2.69356 0.73157 1.77410 2.32497 1.45783 2.50036 3.05123 1.37863 2.42116 2.97203 0.52023 -1.47936 -0.62813 -2.62773 -0.97451 -2.97411 -0.24026 -2.23986 1.40056 -0.59904 0.98284 -1.01676 1.87247 -0.12712 -2.01051 2.27308 1.35916 0.46784 0.06455 0.73108 2.33268 1.99737 2.61310 2.12484 2.37047 0.13588 -2.50057 -2.25124 -2.89042 0.87971 2.04563 0.33374 -0.29964 -1.56840 -2.20177 -2.30925 -2.94263 -0.75496 -0.51205 -1.84110 -2.05205 0.83661 1.07952 -0.24953 -0.46049 1.92678 2.16969 0.84064 0.62969 0.27415 -3.04639 -1.77902 -2.35893 -1.97900 2.13444 1.47093 1.69475 0.44096 0.09110 -2.63849 -0.49287 -0.41784 -1.35909 -1.42715 0.17493 -0.15971 -1.27928 -0.74939 -1.08404 -2.20361 0.84460 0.50996 -0.60961 1.24264 0.90799 -0.21157 0.53394 0.19929 -0.92028 1.12782 0.79318 -0.32639 -2.08703 -2.42168 2.74193 -2.28354 -2.61819 2.54543 -1.01742 0.80860 -0.32388 -1.81141 0.01462 -1.11787 -1.34001 0.48602 -0.64647 0.61058 2.43661 1.30412 0.98436 2.81039 1.67790 0.24332 2.06935 0.93686 0.69921 2.52524 1.39275 1.79122 -2.66594 2.48476 -2.43854 -0.61251 -1.74500 -2.75189 -0.92586 -2.05835 -2.16637 -0.29461 0.09742 -0.50684 0.26006 -2.21175 -3.06304 3.13271 -2.02931 0.77260 -1.19755 1.38614 -2.47000 0.33191 -1.63824 0.94545 -1.83867 0.96323 -1.00692 1.57678 0.42165 -3.05963 1.25341 -2.44608 1.21085 -2.27043 2.04260 -1.65689 -0.31818 2.48373 0.51358 3.09727 -2.53522 0.26668 -1.70346 0.88023 0.81598 -2.66530 1.64774 -2.05175 0.59837 -2.88291 1.43013 -2.26936 1.17269 -2.30859 2.00445 -1.69505 1.97088 -2.94285 -1.19196 0.17749 -2.86318 -1.49373 -0.69470 -1.09208 -0.32048 0.61343 0.21605 0.98764 0.41686 0.01948 0.79108 0.58519 0.75470 0.11801 2.13154 2.36747 -0.88277 -0.71325 -1.34995 0.66358 0.89951 2.18666 2.35617 1.71948 -2.55018 -2.31425 -3.13226 0.29496 -0.09725 0.61520 1.53698 -0.47044 -0.81088 -0.06630 -2.28172 0.50703 -2.05588 1.58469 -0.32821 0.91334 -1.64957 1.99101 0.07810 0.15529 -2.40763 1.23295 -0.67996 -0.55020 -3.11311 0.52746 -1.38544 -0.28150 -2.84441 0.79616 -1.11675 0.11938 -1.04950 0.50136 -0.66752 -0.19688 -1.36576 -0.81829 -1.98717 -0.61611 -1.78499 1.40283 -2.57784 -2.26450 0.03801 -1.08405 1.21846 -2.57322 0.01915 2.58077 -1.39436 1.07661 -2.61420 -0.05259 2.25547 -0.07287 2.51951 -1.20206 1.10600 2.39613 -2.42775 -0.01256 0.01172 2.42692 -1.19822 1.21698 1.03494 -1.23997 0.07285 -1.37724 -2.22534 2.60775 -1.19760 -2.62285 1.38079 1.22633 -1.06303 1.18129 -1.95489 2.67329 -0.46289 -1.28422 1.86278 -1.03959 2.12326 -2.54326 0.61959 1.42049 -1.69985 -3.13133 -0.01247 0.00487 3.12373 -3.14094 0.02002 0.00592 -3.11631 -0.01035 3.12400 -3.12921 0.00514 -0.01128 -3.14026 3.11063 -0.01835 0.00498 3.13979 -3.12935 0.00546 0.00576 -3.12905 3.13469 -0.00012 -3.11950 0.04593 0.00096 -3.11678 3.11321 -0.03493 -0.00754 3.12750 0.00605 -3.13012 3.12359 -0.01258 0.00713 -3.13848 -3.12783 0.00974 -0.00648 3.14080 3.12967 -0.00623 -0.00008 3.13583 -3.13764 -0.00173 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000003 0.000000 0.027255 0.002709 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -3.632832e-06 Optimization completed on the basis of negligible forces. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 R91 R92 R93 R94 R95 R96 R97 R98 R99 R100 R101 R102 R103 R104 R105 1 1 1 1 1 1 1 2 2 2 3 3 4 4 4 4 5 6 6 6 6 7 7 7 7 7 7 7 8 8 8 9 9 10 10 10 11 11 11 11 11 11 11 12 13 13 13 13 13 14 15 15 16 18 18 18 18 18 19 19 19 19 20 20 21 22 24 24 24 26 26 26 26 26 27 27 27 30 30 30 34 34 34 36 36 37 37 38 38 39 39 41 41 43 47 47 48 48 49 49 50 50 52 52 54 2 3 4 5 6 12 18 5 12 18 6 12 5 6 17 18 35 10 11 14 17 8 9 10 11 12 18 23 12 18 23 11 23 11 12 18 13 14 16 19 20 22 25 18 14 15 16 17 24 17 17 24 24 19 20 21 30 31 20 21 22 23 24 25 23 23 25 30 33 27 30 33 34 35 28 29 33 31 32 33 35 36 47 37 38 39 40 41 42 43 44 43 45 46 48 49 50 51 52 53 54 55 54 56 57 1.2914 1.2806 1.2971 3.266 3.31 3.3039 3.3813 2.9723 3.0044 3.1689 2.9817 2.9848 3.0466 3.112 2.9025 3.2296 2.9109 2.9093 4.156 2.9977 4.2234 1.2934 1.2806 1.2953 3.3311 3.318 3.3926 3.329 3.0082 3.0946 2.9928 3.0409 2.9638 3.1388 3.1134 3.1572 3.5163 3.1414 3.0689 3.7677 3.9064 3.0115 3.2581 4.3462 1.2857 1.2776 1.305 3.4248 3.3645 3.1212 2.9639 3.0098 3.0246 3.5481 3.2616 3.6369 3.6446 3.2847 1.358 1.2505 1.2581 3.3659 3.4813 1.0195 3.0325 3.1003 3.1806 3.3749 3.2018 1.4751 1.4695 1.8564 1.4594 1.7382 1.1186 1.1034 1.4733 1.1006 1.1168 1.4767 1.3927 1.5179 1.5142 1.4002 1.3976 1.3945 1.0929 1.3965 1.0927 1.397 1.0934 1.3953 1.0938 1.0932 1.3999 1.3976 1.3946 1.0933 1.3954 1.0933 1.3962 1.0934 1.3957 1.0936 1.0932 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 A190 A191 A192 A193 A194 A195 A196 A197 A198 A199 A200 A201 A202 A203 A204 A205 A206 A207 A208 A209 A210 A211 A212 A213 A214 A215 A216 A217 A218 A219 A220 A221 A222 A223 A224 A225 A226 A227 A228 A229 A230 A231 A232 A233 A234 A235 A236 A237 A238 A239 A240 A241 A242 A243 A244 A245 A246 A247 A248 A249 A250 A251 A252 A253 A254 A255 A256 A257 A258 A259 A260 A261 A262 A263 A264 A265 A266 A267 A268 A269 A270 A271 A272 A273 A274 A275 A276 A277 A278 A279 A280 A281 A282 A283 A284 A285 A286 A287 A288 A289 A290 A291 A292 A293 A294 2 2 2 3 3 3 4 5 5 5 6 6 5 6 5 5 6 17 1 2 2 4 1 1 1 1 3 3 3 3 3 4 4 4 10 10 11 8 8 8 9 9 9 10 11 11 11 12 18 18 11 6 6 11 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 13 13 13 13 14 14 14 14 14 16 16 16 16 19 20 22 1 1 1 2 2 2 2 3 3 3 3 8 11 11 14 14 14 15 16 17 11 17 11 4 4 4 6 6 14 1 1 1 1 1 1 1 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 7 7 7 7 7 8 8 8 8 8 8 10 10 10 10 10 12 12 12 12 12 19 19 20 20 20 21 21 11 11 11 18 18 20 20 20 21 11 11 18 18 19 19 18 11 7 7 7 8 8 8 8 9 9 9 21 13 13 13 13 15 15 15 15 15 16 16 16 16 20 20 25 25 27 27 27 30 30 33 26 26 28 28 29 18 18 18 18 24 24 24 26 26 31 31 32 24 24 27 26 26 35 35 36 5 5 34 34 37 36 36 39 36 36 41 37 37 43 38 38 43 39 39 41 34 34 48 47 47 50 47 47 52 48 48 54 49 49 54 50 50 52 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 4 5 5 5 5 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 8 9 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 14 15 16 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 21 22 23 23 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 26 26 26 26 26 26 27 27 27 27 27 30 30 30 30 30 30 30 30 30 30 30 30 33 33 33 34 34 34 34 34 35 35 36 36 36 37 37 37 38 38 38 39 39 39 41 41 41 43 43 43 47 47 47 48 48 48 49 49 49 50 50 50 52 52 52 54 54 54 3 4 6 4 5 18 12 6 12 18 12 18 18 12 17 18 18 18 35 4 35 35 10 11 14 17 4 10 11 14 17 10 11 14 14 17 17 9 10 11 10 12 18 23 12 18 23 23 23 23 23 12 18 18 7 9 13 16 19 20 22 25 13 14 16 19 20 22 25 10 13 14 16 19 20 22 25 13 14 16 19 20 22 25 19 20 22 25 16 19 20 22 25 19 20 22 25 25 22 25 7 8 10 3 7 8 10 7 8 10 18 10 17 24 15 16 24 16 17 24 17 24 24 13 14 15 13 15 15 7 8 10 19 20 30 31 4 7 8 10 20 30 31 7 8 10 12 19 20 21 30 31 19 20 21 30 31 10 19 20 21 30 31 19 20 21 30 31 19 20 21 30 31 30 31 21 30 31 30 31 18 21 23 22 23 21 22 23 22 18 24 24 25 24 25 23 23 19 21 22 9 19 21 22 19 21 22 22 20 25 30 33 16 20 25 30 33 20 25 30 33 30 33 30 33 30 34 35 34 35 34 28 29 29 33 33 24 26 32 33 26 31 32 31 32 32 33 33 26 27 30 36 47 36 47 47 26 34 37 38 38 39 40 40 41 42 42 43 44 44 43 45 45 41 46 46 48 49 49 50 51 51 52 53 53 54 55 55 54 56 56 52 57 57 120.8395 118.8596 140.2824 120.2795 141.2597 128.7512 147.7072 138.6414 130.0619 89.9168 87.5256 78.4035 99.7539 100.1225 95.9968 96.8748 83.6428 89.2989 100.6603 43.4447 96.1041 87.7822 76.4666 114.2142 91.7937 66.3814 42.9768 80.2904 126.9096 114.3884 85.3396 89.2032 112.2042 75.6846 77.6662 109.1311 96.3786 120.7432 118.8449 137.4471 120.393 140.6892 138.4664 154.5852 139.7739 83.0612 91.1329 126.126 92.8738 106.2762 104.74 98.7974 88.3087 90.1618 67.1682 85.1644 66.1531 87.6375 108.4876 97.4716 124.7921 96.2619 105.2223 88.4541 115.3262 73.1427 83.164 78.2002 94.2678 42.3744 126.7928 111.0299 132.4568 78.3089 94.0515 76.5265 106.5509 92.275 72.2996 108.5992 85.7049 88.7309 95.4233 96.6584 70.6725 50.4523 84.3989 40.5447 42.1858 77.2663 59.1562 93.6964 53.2963 59.8077 40.6166 69.6155 28.1162 31.8627 34.8541 43.8996 91.6097 94.9088 73.927 43.8595 96.4846 90.6995 85.3922 98.9409 109.7797 77.023 68.9852 42.6584 128.2629 122.1426 121.2421 119.3264 151.343 119.4199 161.576 103.0096 171.5924 125.6286 162.5121 97.6136 76.8939 119.1642 66.0438 84.0798 42.9737 88.9964 91.797 72.3102 160.2765 153.5606 116.3599 132.5593 40.7545 91.9609 86.1345 81.9763 173.6313 118.7308 130.3211 103.5672 111.7238 82.9538 70.2713 151.4821 133.6791 170.5093 96.4459 113.5709 75.3578 92.8774 79.2231 148.4876 137.0584 41.7551 78.3573 99.8857 74.291 151.7161 134.7052 89.283 101.0944 98.1248 146.7789 145.9881 121.6984 141.5844 117.1301 162.4144 166.1399 75.4567 61.7062 36.8341 56.0002 45.6684 77.4471 60.81 75.024 141.2847 83.4169 115.892 89.5364 115.6194 117.8146 155.8394 126.553 76.3305 109.086 117.4109 96.9467 151.838 112.8579 93.3827 102.1698 78.6818 89.5583 77.0342 44.1233 82.7226 85.438 89.1708 86.225 102.8684 76.3165 42.8422 55.3856 42.1481 70.827 93.7257 43.3756 75.818 64.051 73.0825 89.7079 45.3878 28.7469 82.5284 108.0241 56.754 79.3235 66.7665 91.5895 91.84 131.1562 128.3707 129.0282 126.987 132.4897 114.9584 118.6205 109.2479 116.4084 116.922 110.3089 101.2553 65.105 178.9869 143.1018 92.6819 64.8251 119.2534 115.2552 108.7967 117.0864 115.87 130.9027 126.8377 91.6241 117.7023 118.4536 114.75 115.4494 111.1258 154.4217 151.2667 121.6377 119.4014 118.9599 120.4424 119.7639 119.7806 120.7034 118.83 120.4571 120.2945 119.6906 120.0135 120.0411 119.7896 120.1653 119.5544 120.1999 120.2446 121.1126 119.7397 119.1378 120.4036 119.377 120.205 120.499 119.1432 120.3567 120.2049 119.7405 120.0538 120.1384 119.8346 120.0265 119.614 120.1739 120.2113 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A295 A296 A297 A298 A299 A300 A301 A302 A303 A304 A305 A306 A307 A308 A309 A310 A311 A312 A313 A314 A315 A316 A317 A318 A319 5 1 5 12 6 11 11 6 1 2 2 11 33 5 1 5 12 6 11 11 6 1 2 2 11 2 4 4 8 10 10 13 14 18 18 18 25 26 2 4 4 8 10 10 13 14 18 18 18 25 12 17 6 23 7 12 15 13 21 19 21 24 35 12 17 6 23 7 12 15 13 21 19 21 24 4 5 18 7 2 8 1 5 7 4 4 16 4 4 5 18 7 2 8 1 5 7 4 4 16 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 185.9525 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 183.8423 180.5176 185.4698 182.8281 174.0396 188.5967 192.6866 168.2195 192.2366 211.2638 139.1569 176.8345 188.1328 175.0625 174.835 197.3088 186.5458 180.3415 193.9815 198.565 187.9875 198.8376 176.9897 187.0369 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 D340 D341 D342 D343 D344 D345 D346 D347 D348 D349 D350 D351 D352 D353 D354 D355 D356 D357 D358 D359 D360 D361 D362 D363 D364 D365 D366 D367 D368 D369 D370 D371 D372 D373 D374 D375 D376 D377 D378 D379 D380 D381 D382 D383 D384 D385 D386 D387 D388 D389 D390 D391 D392 D393 D394 D395 D396 D397 D398 D399 D400 D401 D402 D403 D404 D405 D406 D407 D408 D409 D410 D411 D412 D413 D414 D415 D416 D417 D418 D419 D420 D421 D422 D423 D424 D425 D426 D427 D428 D429 D430 D431 D432 D433 D434 D435 D436 D437 D438 D439 D440 D441 D442 D443 D444 D445 D446 D447 D448 D449 D450 D451 D452 D453 D454 D455 D456 D457 D458 D459 D460 D461 D462 D463 D464 D465 D466 D467 D468 D469 D470 D471 D472 D473 D474 D475 D476 D477 D478 D479 D480 D481 D482 D483 D484 D485 D486 D487 D488 D489 D490 D491 D492 D493 D494 D495 D496 D497 D498 D499 D500 D501 D502 D503 D504 D505 D506 D507 D508 D509 D510 D511 D512 D513 D514 D515 D516 D517 D518 D519 D520 D521 D522 D523 D524 D525 D526 D527 D528 D529 D530 D531 D532 D533 D534 D535 D536 D537 D538 D539 D540 D541 D542 D543 D544 D545 D546 D547 D548 D549 D550 D551 D552 D553 D554 D555 D556 D557 D558 D559 D560 D561 D562 D563 D564 D565 D566 D567 D568 D569 D570 D571 D572 D573 D574 D575 D576 D577 D578 D579 D580 D581 D582 D583 D584 D585 D586 D587 D588 D589 D590 D591 D592 D593 D594 D595 D596 D597 D598 D599 D600 D601 D602 D603 D604 D605 D606 D607 D608 D609 D610 D611 D612 D613 D614 D615 D616 D617 D618 D619 D620 D621 D622 D623 D624 D625 D626 D627 D628 D629 D630 D631 D632 D633 D634 D635 D636 D637 D638 D639 D640 D641 D642 D643 D644 D645 D646 D647 D648 D649 D650 D651 D652 D653 D654 D655 D656 D657 D658 D659 D660 D661 D662 D663 D664 D665 D666 D667 D668 D669 D670 D671 D672 D673 D674 D675 D676 D677 D678 D679 D680 D681 D682 D683 D684 D685 D686 D687 D688 D689 D690 D691 D692 D693 D694 D695 D696 D697 D698 D699 D700 D701 D702 D703 D704 D705 D706 D707 D708 D709 D710 D711 D712 D713 D714 D715 D716 D717 D718 D719 D720 D721 D722 D723 D724 D725 D726 D727 D728 D729 D730 D731 D732 D733 D734 D735 D736 D737 D738 D739 D740 D741 D742 D743 D744 D745 D746 D747 D748 D749 D750 D751 D752 D753 D754 D755 D756 D757 D758 D759 D760 D761 D762 D763 D764 D765 D766 D767 D768 D769 D770 D771 D772 D773 D774 D775 D776 D777 D778 D779 D780 D781 D782 D783 D784 D785 D786 D787 D788 D789 D790 D791 D792 2 2 2 3 3 3 12 12 12 3 6 12 18 2 2 2 2 5 5 5 5 12 12 12 12 18 18 18 18 4 4 4 5 5 5 6 6 6 3 3 3 3 3 3 3 5 5 5 5 5 5 5 6 6 6 6 6 6 6 18 18 4 4 4 4 35 35 35 35 5 5 5 5 5 5 5 12 12 12 12 12 6 6 6 6 6 17 17 18 18 18 18 18 18 5 5 5 18 18 18 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 17 17 17 17 17 17 17 17 17 17 1 1 2 2 4 4 1 1 1 3 3 3 4 4 4 14 14 14 17 17 17 1 1 3 3 4 4 14 14 17 17 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 17 17 17 17 17 17 17 17 1 1 1 3 3 3 4 4 4 10 10 10 1 1 3 3 10 10 11 11 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 18 18 18 18 18 18 18 18 23 23 23 23 23 23 23 23 9 9 9 11 11 11 23 23 23 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 23 23 23 23 23 23 23 23 10 10 10 11 11 11 12 12 12 18 18 18 6 6 6 6 6 7 7 7 7 7 9 9 9 9 9 10 10 10 10 10 13 13 13 13 14 14 14 14 14 16 16 16 16 19 19 19 19 19 22 22 22 22 22 1 1 1 1 2 2 2 2 3 3 3 3 10 10 10 10 23 23 23 23 23 23 23 23 23 18 18 18 18 23 23 23 23 23 23 23 23 23 11 11 11 11 18 18 18 18 18 18 18 18 6 6 6 6 6 6 6 6 6 6 6 6 6 11 11 11 11 11 11 11 11 11 6 6 7 7 9 9 10 10 19 19 20 20 22 22 25 25 7 9 10 16 19 20 22 25 6 7 9 10 14 19 20 22 25 6 6 6 7 7 7 9 9 9 10 10 10 13 13 13 14 14 14 16 16 16 25 25 25 6 6 7 7 9 9 10 10 13 13 14 14 16 16 22 22 6 7 9 10 13 14 16 20 25 3 3 3 3 3 3 11 11 16 16 24 24 11 11 11 11 14 14 14 14 17 17 17 17 11 11 24 24 24 17 17 17 17 17 11 11 11 11 11 1 1 1 4 4 4 7 7 7 8 8 8 10 10 10 12 12 12 30 30 30 31 31 31 1 1 1 2 2 2 4 4 4 7 7 7 8 8 8 10 10 10 12 12 12 21 21 21 30 30 30 31 31 31 4 7 8 10 12 20 30 31 1 1 1 1 2 2 2 2 4 4 4 4 7 7 7 7 8 8 8 8 10 10 10 10 12 12 12 12 19 19 19 19 20 20 20 20 21 21 21 21 21 21 22 22 23 23 11 11 11 18 18 18 20 20 20 11 11 11 11 11 18 18 18 18 18 19 19 19 19 19 24 18 18 18 18 11 11 11 11 13 13 13 13 15 15 15 15 16 16 16 16 20 20 20 20 25 25 25 25 13 13 15 15 16 16 20 20 25 25 30 30 34 34 35 35 27 27 27 27 34 34 34 34 35 35 35 35 34 27 27 30 30 33 33 27 30 28 28 29 29 18 31 32 36 47 26 26 35 35 47 47 26 26 35 35 36 36 34 34 38 38 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10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 14 14 15 15 15 15 15 15 15 15 16 16 16 16 16 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 27 27 27 27 30 30 30 34 34 34 34 34 34 34 34 34 34 34 34 34 34 36 36 36 36 36 36 36 36 37 37 37 37 38 38 38 38 39 39 39 39 41 41 41 41 47 47 47 47 47 47 47 47 48 48 48 48 49 49 49 49 50 50 50 50 52 52 52 17 17 17 17 17 17 17 17 17 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 12 12 12 12 12 12 12 12 12 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 5 5 12 12 12 12 12 12 12 12 18 18 18 18 18 18 18 6 6 6 6 6 12 12 12 12 12 5 5 5 5 6 6 6 6 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 35 35 35 35 35 35 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 13 13 13 17 17 17 17 17 17 17 17 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 23 23 23 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 18 18 18 18 18 18 18 18 18 23 23 23 23 11 11 11 11 11 11 11 11 11 23 23 23 23 11 11 11 11 11 11 11 11 12 12 12 12 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 16 16 16 16 16 16 16 16 16 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 22 22 22 22 22 22 22 22 22 18 18 18 18 18 18 17 17 17 17 17 17 24 24 24 24 24 24 24 24 24 24 24 24 17 17 17 17 17 24 24 24 24 24 24 24 24 24 24 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 20 20 20 20 20 20 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 25 23 23 23 23 23 23 23 23 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 33 33 33 33 33 33 33 33 33 33 27 27 27 27 27 27 30 30 30 30 30 30 30 30 30 30 30 30 33 34 34 34 34 34 34 35 35 33 33 33 33 33 33 33 35 35 36 36 36 36 36 36 47 47 47 47 47 47 37 37 37 37 38 38 38 38 39 39 39 39 41 41 41 41 43 43 43 43 43 43 43 43 48 48 48 48 49 49 49 49 50 50 50 50 52 52 52 52 54 54 54 54 54 54 54 13 14 15 13 14 15 13 14 15 35 35 35 35 10 11 14 17 10 11 14 17 10 11 14 17 10 11 14 17 7 8 10 7 8 10 7 8 10 7 8 10 19 20 30 31 7 8 10 19 20 30 31 7 8 10 19 20 30 31 4 35 3 7 8 10 3 7 8 10 4 7 8 10 20 30 31 4 10 11 14 17 2 7 8 10 18 2 35 2 35 3 10 11 14 13 14 15 13 14 15 2 7 8 10 12 19 20 21 30 31 2 7 8 10 12 19 20 21 30 31 2 7 8 10 12 19 20 21 30 31 26 34 26 34 26 34 8 9 23 8 9 23 8 9 23 8 9 23 8 9 23 12 18 12 18 12 18 12 18 12 18 7 9 13 16 19 20 22 25 7 9 13 16 19 20 22 25 7 9 13 16 19 20 22 25 7 9 13 16 19 20 22 25 15 16 24 15 16 24 15 16 24 15 16 24 13 15 13 15 13 15 13 15 6 13 14 16 19 20 22 25 6 13 14 16 19 20 22 25 6 13 14 16 19 20 22 25 6 13 14 16 19 20 22 25 1 2 3 1 2 3 1 2 3 1 2 4 19 20 21 30 31 1 2 4 19 20 21 30 31 1 2 4 19 20 21 30 31 19 21 22 19 21 22 19 21 22 19 21 22 13 15 16 30 33 13 15 16 30 33 13 15 16 30 33 13 15 16 30 33 15 16 30 33 13 15 16 30 33 13 15 30 33 13 15 16 30 33 13 15 16 30 33 9 19 21 22 9 19 21 22 9 19 21 22 9 19 21 22 1 2 4 10 19 20 21 30 31 9 19 21 22 6 10 13 14 16 19 20 22 25 8 19 21 22 9 13 14 16 19 20 22 25 1 2 3 8 1 2 4 8 19 20 21 30 31 1 2 4 8 19 20 21 30 31 17 24 17 24 17 24 17 24 17 24 17 24 17 24 17 24 17 17 17 17 17 17 17 17 24 24 24 24 24 24 24 24 24 18 21 23 18 21 23 18 21 23 18 21 23 18 21 23 18 21 23 18 21 23 18 21 23 18 24 18 24 18 24 18 24 18 24 18 24 18 24 18 24 23 23 23 23 23 23 23 23 23 4 19 20 21 30 31 4 6 4 6 4 6 20 25 30 33 20 25 30 33 20 25 30 33 4 15 4 6 14 16 20 25 30 33 15 20 25 30 33 11 22 23 11 22 23 11 22 23 11 22 23 11 22 23 11 22 23 11 22 23 11 22 23 11 24 25 11 24 25 11 24 25 11 24 25 11 24 25 11 24 25 11 24 25 11 24 25 11 24 25 11 24 25 23 23 23 23 23 23 23 23 24 26 32 33 24 26 32 33 24 26 32 33 24 26 32 33 24 26 32 33 24 26 32 33 24 26 32 33 24 26 32 33 24 26 32 33 24 26 32 33 24 25 24 25 24 25 7 8 9 7 8 9 7 8 9 13 15 16 30 33 13 15 16 30 33 13 15 16 30 33 11 7 8 9 22 7 8 9 21 18 26 31 32 18 26 31 32 18 26 31 32 18 26 31 32 18 26 31 32 26 27 26 27 26 27 26 27 26 27 28 29 28 29 28 29 18 24 31 32 18 24 31 32 18 24 31 32 24 36 47 36 47 36 47 5 5 24 30 24 30 27 27 27 5 5 37 38 37 38 37 38 48 49 48 49 48 49 39 40 39 40 41 42 41 42 43 44 43 44 43 45 43 45 41 46 41 46 39 46 39 46 50 51 50 51 52 53 52 53 54 55 54 55 54 56 54 56 52 57 52 57 50 57 50 87.4676 95.1321 86.9165 -85.9928 -78.3283 -86.544 1.3634 9.028 0.8123 -170.0329 -59.0086 91.4367 13.1809 10.657 -21.2347 -66.2017 -107.5826 123.2822 91.3904 46.4234 5.0425 -34.5164 -66.4081 -111.3751 -152.756 46.8942 15.0025 -29.9646 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3.816 111.174 -36.5837 -44.1566 -22.29 33.8349 13.7542 48.0026 3.8616 -38.0398 -58.3476 -14.7139 -154.4061 49.9518 70.7584 29.6443 163.9501 -122.8507 -103.5826 -140.8429 -61.372 -92.8464 136.6696 157.4762 116.3621 -109.3321 -36.1329 -16.8648 -54.1251 25.3458 -6.1285 17.4672 163.9969 -38.4803 108.0495 -46.0657 100.464 -19.386 127.1438 -104.0289 42.5009 -105.8572 40.6725 -114.6155 31.9142 -116.9753 29.5545 -32.8965 -33.9861 -16.4457 -164.7335 -105.96 -115.8561 -110.9653 -129.3833 131.751 68.4419 50.4997 92.031 123.926 18.7227 27.3902 3.1004 23.7602 7.7559 67.3344 99.0417 -50.318 9.2605 40.9678 -73.0399 -13.4614 18.2459 -30.8557 28.7228 60.4301 63.0737 122.6522 154.3595 41.95 101.5285 133.2358 83.5843 143.1629 174.8701 79.0883 138.6669 170.3741 29.8762 -84.7815 -35.9269 -150.5846 -55.7684 -170.4261 -13.7011 -128.3588 80.3006 -34.3571 56.3621 -58.2956 107.3557 -7.302 -115.0762 130.2661 77.9275 26.819 3.7121 41.915 133.6774 114.4627 149.7637 121.8216 135.8896 7.7901 -143.3319 -128.9758 -165.7278 50.3353 116.45 19.1133 -17.1946 -89.9158 -126.2237 -132.2486 -168.5566 -43.2514 -29.3045 -105.5237 -117.5555 47.8753 61.8222 -14.3969 -26.4288 110.3613 124.3082 48.089 36.0572 15.5095 -174.7831 -101.8851 -135.1315 -113.3802 122.3363 84.27 97.1212 25.213 5.2112 -151.0579 -28.1691 -23.8549 -77.8281 -81.6789 9.8501 -9.3764 -73.4589 -43.1771 -62.4036 -126.4862 48.3705 29.144 -34.9386 71.1741 51.9476 -12.135 30.5635 11.3369 -52.7456 64.6155 45.389 -18.6935 -119.6139 -138.8404 157.077 -130.9143 -150.1408 145.7766 -58.5951 46.0572 -18.9038 -104.4488 0.2034 -64.7576 -76.9448 27.7075 -37.2535 34.9418 139.5941 74.633 56.3626 161.0149 96.0539 13.8806 118.5329 53.5719 39.9888 144.6411 79.68 102.6453 -152.7024 142.3366 -139.7601 -35.1079 -100.0689 -157.7429 -53.0907 -118.0517 -124.8981 -16.8585 5.6018 -29.0166 14.9752 -126.6962 -175.5234 179.4165 -116.4287 44.1475 -68.6343 95.6627 -141.6434 18.9329 -93.849 70.448 -105.4889 55.0874 -57.6945 106.6025 24.0011 -175.4226 71.7955 -123.9075 69.428 -129.9958 117.2223 -78.4807 -18.5164 142.0599 29.278 193.575 -145.3202 15.256 -97.5259 66.7711 46.6668 -152.757 94.4611 -101.2419 34.1634 -165.2603 81.9578 -113.7452 67.1414 -132.2823 114.9358 -80.7672 112.9416 -168.4873 -68.2831 10.288 -164.0035 -85.4324 -39.8153 -62.5837 -18.3763 35.1618 12.3934 56.6008 23.7738 1.0054 45.2128 33.5472 43.2735 6.7726 122.1323 135.6973 -50.5836 -40.8574 -77.3582 38.0015 51.5664 125.3693 135.0956 98.5947 -146.0456 -132.4807 -179.4549 16.8787 -5.5937 35.2141 88.1153 -26.9674 -46.4739 -3.8121 -130.6555 29.1471 -117.9487 90.7444 -18.7918 52.4331 -94.6627 114.0305 4.4942 9.0153 -138.0805 70.6127 -38.9236 -31.4349 -178.5307 30.1625 -79.3738 -16.0268 -163.1226 45.5706 -63.9656 6.6266 -60.3602 28.5137 -38.4731 -11.4861 -78.4729 -47.1058 -114.0925 -35.5173 -102.504 80.3794 -147.6924 -129.7536 2.1745 -62.1072 69.821 -147.5242 1.18 147.8337 -79.9008 61.5901 -149.7057 -3.052 129.2135 -4.2291 144.4751 -68.8712 63.3943 137.4208 -139.0529 -0.6749 0.7147 139.0927 -68.5897 69.7883 60.1755 -70.1871 4.39 -78.9181 -127.2905 149.4015 -85.0042 -150.2799 79.1622 69.5146 -61.7022 67.7124 -111.914 153.2052 -26.4211 -73.528 106.8457 -59.7115 121.4479 -145.8782 35.2812 81.2052 -97.6354 -179.3453 -0.6691 0.2827 178.9588 -180.0291 1.0866 0.3346 -178.5498 -0.5902 178.9871 -179.2662 0.3112 -0.6469 -179.9209 178.2193 -1.0547 0.2768 179.8898 -179.2991 0.3139 0.337 -179.2758 179.6083 -0.0045 -178.7724 2.6061 0.0751 -178.5464 178.4097 -1.9842 -0.4539 179.1522 0.3375 -179.3422 178.9475 -0.7322 0.4217 -179.8211 -179.1796 0.5775 -0.3714 179.9581 179.3073 -0.3632 -0.0061 179.6643 -179.7627 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 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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Ex+Corr=PBE1PBE ExCW=0 ScaHFX= 0.250000 ScaDFX= 0.750000 0.750000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.1010612811 PCM SMD-Coulomb. Total charges None Matrix inversion Acetonitrile 35.688000 1.806874 0.0302513 0.0241280 0.0215469 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 772 771 771 772 772 MxSgAt= 57 MxSgA2= 57. 1 Closed 1 1 1 -1962.68319194354 -1962.68319194 1 1.831305685429e+03 -1.527949797577e+04 6.124378240689e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 8321499136 LenX= 8320207941 LenY= 8319578299 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 57. Will process 58 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111111 IDoAtm=1111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 35.6880, EpsInf= 1.8069) Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. 17813 words used for storage of precomputed grid. Two-electron integral symmetry not used. MDV= 8321499136 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 770000000 NMat= 171 IRICut= 427 DoRegI=T DoRafI=T ISym2E= 0 IDoP0=3 IntGTp=3. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. Defaulting to unpruned grid for atomic number 55. There are 174 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 171 vectors produced by pass 0 Test12= 9.29D-14 1.00D-09 XBig12= 3.69D+02 4.79D+00. AX will form 171 AO Fock derivatives at one time. 171 vectors produced by pass 1 Test12= 9.29D-14 1.00D-09 XBig12= 6.76D+01 8.33D-01. 171 vectors produced by pass 2 Test12= 9.29D-14 1.00D-09 XBig12= 7.77D-01 8.13D-02. 171 vectors produced by pass 3 Test12= 9.29D-14 1.00D-09 XBig12= 6.52D-03 5.68D-03. 171 vectors produced by pass 4 Test12= 9.29D-14 1.00D-09 XBig12= 2.72D-05 3.42D-04. 167 vectors produced by pass 5 Test12= 9.29D-14 1.00D-09 XBig12= 5.97D-08 1.84D-05. 70 vectors produced by pass 6 Test12= 9.29D-14 1.00D-09 XBig12= 1.15D-10 8.81D-07. 5 vectors produced by pass 7 Test12= 9.29D-14 1.00D-09 XBig12= 2.04D-13 2.46D-08. 1 vectors produced by pass 8 Test12= 9.29D-14 1.00D-09 XBig12= 3.03D-16 1.03D-09. InvSVY: IOpt=1 It= 1 EMax= 7.11D-15 Solved reduced A of dimension 1098 with 174 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 610.19 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 638.039 -4.784 585.509 3.015 -31.638 607.013 641.493 -12.734 595.115 21.321 -41.124 637.086 (Enter /cm/shared/apps/spack/cpu/opt/spack/linux-centos8-zen/gcc-8.3.1/gaussian-16.C.01-po5bqktfeugvmjyga3v7eigbecnokxng/g16/l716.exe) PT85001.900S 2025-03-25T09:02:49.000 -19.11239 -19.10909 -19.10796 -19.10451 -19.10346 -19.10185 -19.10100 -19.09796 -14.32166 -10.32435 -10.30213 -10.29291 -10.28924 -10.27927 -10.27267 -10.23997 -10.23974 -10.23613 -10.23608 -10.23587 -10.23570 -10.23528 -10.23422 -10.23395 -10.23379 -10.23373 -10.23341 -10.23266 -10.22999 -1.06581 -1.02990 -1.02375 -1.01827 -1.01633 -1.00896 -1.00756 -1.00574 -0.99691 -0.99602 -0.99437 -0.99117 -0.98878 -0.95486 -0.93186 -0.93101 -0.90084 -0.89974 -0.89268 -0.89010 -0.88868 -0.88605 -0.87452 -0.86952 -0.78259 -0.75821 -0.75686 -0.75528 -0.67788 -0.67383 -0.63429 -0.61272 -0.61079 -0.60632 -0.57462 -0.56554 -0.54709 -0.53146 -0.51516 -0.49540 -0.49382 -0.48968 -0.48823 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