Gaussian 16 GINC-AMD03 RESH000497 Cl3-c150h30 opt ES64L-G16RevC.02 19-May-2025 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 181 181 474 474 5334 (5D, 7F) CBSB1 537 537 C1[X(C150H30Cl)] C1[X(C150H30Cl)] RHF STO-3G FOpt #P opt EmpiricalDispersion=GD3BJ integral(grid=ultrafinegrid) GFInput pop=full IOP(3/74=-78) IOP(6/7=3) IOP(3/5=10) IOP(3/175=01217700) IOP(3/177=414500) IOP(3/178=4859300) SCF=YQC 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1837.058000000004 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61;62;63;64;65;66;67;68;69;70;71;72;73;74;75;76;77;78;79;80;81;82;83;84;85;86;87;88;89;90;91;92;93;94;95;96;97;98;99;100;101;102;103;104;105;106;107;108;109;110;111;112;113;114;115;116;117;118;119;120;121;122;123;124;125;126;127;128;129;130;131;132;133;134;135;136;137;138;139;140;141;142;143;144;145;146;147;148;149;150;181;151;152;153;154;155;156;157;158;159;160;161;162;163;164;165;166;167;168;169;170;171;172;173;174;175;176;177;178;179;180/rA:181nC0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0Cl0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0678,-.8023,-.1207;-1.1872,.5966,-.1247;-.0341,1.3982,-.1029;1.2377,.8025,-.084;1.3567,-.5968,-.0822;.2036,-1.3984,-.0989;-.4724,-7.8165,-.0459;.6815,-7.016,-.0478;.643,7.8163,-.038;-.3505,-9.2302,-.0299;.9171,-9.7992,-.0154;.5195,9.2295,-.0235;-2.9054,-8.0168,-.056;-1.7497,-7.2181,-.0633;3.0766,8.0181,-.0129;1.9208,7.2194,-.0335;-2.7724,-9.4402,-.038;-1.5327,-10.0083,-.0264;2.9421,9.4414,-.0011;1.7019,10.0076,-.006;-5.3522,-8.2267,-.0569;-4.1717,-7.4206,-.0687;5.524,8.2307,.0149;4.3436,7.4242,-.0057;-5.188,-9.6551,-.038;-3.9778,-10.2254,-.0299;5.358,9.6596,.0251;4.1466,10.2272,.0179;-6.5797,-7.6336,-.0619;7.9456,-6.4059,.0288;-.8298,-3.6064,-.0957;.324,-2.8046,-.0882;.9998,3.6073,-.0751;-.7091,-5.0074,-.081;.5615,-5.6037,-.0592;.8806,5.0082,-.0639;-3.2592,-3.8083,-.1146;-2.106,-3.0062,-.1162;3.4317,3.8114,-.0409;2.2773,3.0086,-.0608;-3.1373,-5.2157,-.0974;-1.8697,-5.8128,-.0774;3.3101,5.2192,-.0359;2.0411,5.8139,-.0432;-5.6905,-4.0203,-.1157;-4.5284,-3.2092,-.1334;5.8651,4.0248,-.0077;4.7022,3.2148,-.029;-5.5701,-5.4188,-.0973;-4.2951,-6.0213,-.0854;5.744,5.4239,-.0035;4.4677,6.0246,-.0131;-8.1222,-4.2342,-.0968;-6.9594,-3.4219,-.119;8.2978,4.2393,.0248;7.1354,3.4261,.0055;-7.9828,-5.616,-.0803;-6.7354,-6.227,-.0802;8.1571,5.6214,.0296;6.9097,6.2328,.0171;-9.3882,-3.6012,-.0889;10.035,-1.9544,.0408;-3.6146,.3934,-.1686;-2.4649,1.1941,-.1477;3.7876,-.3936,-.0475;2.6343,-1.1962,-.0636;-3.4954,-1.0102,-.1602;-2.2268,-1.6069,-.137;3.6681,1.0121,-.0484;2.396,1.6086,-.0655;-6.0419,.1819,-.1685;-4.8853,.99,-.1715;6.2183,-.1825,-.014;5.06,-.9917,-.0293;-5.9239,-1.2114,-.1612;-4.6475,-1.8129,-.1558;6.0996,1.2139,-.0144;4.8214,1.8162,-.0306;-8.4665,-.0244,-.1264;-7.3155,.7801,-.1471;8.6447,.0246,.0201;7.4948,-.7826,.0043;-8.3489,-1.4176,-.1228;-7.0785,-2.0167,-.1374;8.5262,1.419,.0198;7.2567,2.0208,.0034;-10.9113,-.2624,-.0827;-9.7556,.5936,-.1031;11.0876,.2631,.0544;9.9331,-.5947,.0382;-10.7986,-1.595,-.081;-9.5152,-2.2442,-.0986;10.9743,1.5961,.0541;9.6917,2.2468,.0376;-1.5424,4.8013,-.0907;-.3905,5.6033,-.0712;1.7139,-4.8027,-.0579;-1.4253,3.3999,-.1067;-.1527,2.8045,-.0953;1.5953,-3.4017,-.0682;-3.9705,4.5966,-.1123;-2.822,5.3991,-.0921;4.1442,-4.6009,-.0305;2.9937,-5.4011,-.0354;-3.8536,3.1891,-.1317;-2.5818,2.5935,-.1293;4.0267,-3.1927,-.0375;2.7535,-2.5961,-.0564;-6.4025,4.3866,-.1131;-5.2475,5.1956,-.1017;6.5779,-4.3921,.0004;5.4212,-5.1995,-.0084;-6.2849,2.9882,-.133;-5.0033,2.385,-.1549;6.4612,-2.9926,-.0055;5.1784,-2.3904,-.0254;-8.8138,4.1749,-.0916;-7.6872,4.987,-.0935;8.9897,-4.1798,.0321;7.8632,-4.9927,.0204;-8.7173,2.7894,-.1073;-7.4348,2.1851,-.1314;8.8953,-2.7937,.0267;7.6123,-2.1883,.0075;-9.8587,1.9524,-.0963;9.5627,3.6042,.0395;-1.901,9.0239,-.0405;-.7475,9.7986,-.025;2.07,-9.0246,-.0148;-1.7826,7.6099,-.0577;-.5103,7.0155,-.0564;1.9533,-7.6108,-.0287;-4.3234,8.8224,-.0503;-3.1974,9.5916,-.0376;4.4937,-8.8247,.0058;3.3667,-9.5921,.0017;-4.2144,7.3969,-.0697;-2.9407,6.8045,-.075;4.3861,-7.3992,-.0061;3.1122,-6.8069,-.0267;-6.7405,8.6269,-.0506;-5.6439,9.3931,-.0421;6.9117,-8.6322,.0305;5.8134,-9.3961,.024;-6.6614,7.1912,-.0704;-5.3619,6.5955,-.083;6.8343,-7.1958,.0198;5.5348,-6.6,-.0003;-7.7712,6.3997,-.0746;6.7527,7.6396,.0248;-11.8858,.2035,-.0641;12.0628,-.2013,.0678;-9.7924,4.6336,-.0715;9.968,-4.639,.0475;-10.8369,2.412,-.0748;10.4499,4.2215,.054;-7.7215,9.0792,-.041;7.8918,-9.0861,.045;-8.7501,6.8582,-.0602;7.6392,8.2578,.0408;-6.0786,-10.2665,-.0291;6.2475,10.2723,.0402;-7.4672,-8.2507,-.0492;8.9238,-6.8657,.0444;-8.8699,-6.2333,-.0625;9.044,6.2389,.0452;-10.2751,-4.2188,-.068;11.0136,-2.4132,.0554;-11.6809,-2.218,-.0611;11.8572,2.2184,.0673;-.839,10.8754,-.0118;-3.2897,10.6684,-.0223;3.4583,-10.6692,.0123;-5.73,10.4698,-.0261;5.8983,-10.473,.0333;1.0085,-10.8761,-.0029;-1.442,-11.0853,-.0122;1.6104,11.0847,.0047;-3.8811,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g16 Output=Cl3-c150h30.log nproc=64 mem=124GB chk=Cl3-c150h30.chk #P opt=Restart EmpiricalDispersion=GD3BJ integral(grid=ultrafinegrid) 1/18=20,19=15,35=1/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=10,11=9,25=1,30=1,71=1,74=-78,75=-5,124=41,175=1217700,177=414500,178=4859300/1,2,3 4/5=5,16=3,69=1/1 5/5=2,8=4,13=1,38=1/8,2,8 7//1,2,3,16 1/18=20,19=15/3(-5) 2/9=110/2 6/7=3,19=2,28=1/1 99/9=1/99 Berny optimization. local minimum Step number 19 out of a maximum of 1086 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00532 0.00940 0.01095 0.01771 0.01776 0.01780 0.01792 0.01793 0.01795 0.01853 0.01853 0.01854 0.01855 0.01856 0.01867 0.01905 0.01908 0.01908 0.01913 0.01914 0.01915 0.01934 0.01934 0.01934 0.01940 0.01940 0.01946 0.01947 0.01950 0.01950 0.01951 0.01951 0.01952 0.01953 0.01954 0.01955 0.01956 0.01956 0.01956 0.01957 0.01958 0.01958 0.01959 0.01959 0.01960 0.01961 0.01962 0.01962 0.01964 0.01964 0.01965 0.01966 0.01967 0.01968 0.01969 0.01969 0.01972 0.01973 0.01973 0.01973 0.01974 0.01976 0.01978 0.01978 0.01980 0.01980 0.01981 0.01981 0.01981 0.01982 0.01984 0.01984 0.01985 0.01985 0.01986 0.01987 0.01987 0.01988 0.01988 0.01989 0.01989 0.01989 0.01989 0.01990 0.01991 0.01992 0.01993 0.01995 0.01995 0.01996 0.01996 0.01996 0.01997 0.01997 0.01998 0.01998 0.01999 0.02000 0.02001 0.02001 0.02002 0.02003 0.02004 0.02004 0.02006 0.02007 0.02009 0.02009 0.02010 0.02011 0.02015 0.02033 0.02069 0.02070 0.02078 0.02089 0.02095 0.02106 0.02111 0.02123 0.02124 0.02130 0.02131 0.02134 0.02136 0.02145 0.02151 0.02153 0.02157 0.02159 0.02175 0.02179 0.02181 0.02181 0.02181 0.02181 0.02182 0.02182 0.02183 0.02187 0.02188 0.02190 0.02199 0.02209 0.02231 0.02231 0.02232 0.02232 0.02233 0.02234 0.02253 0.02266 0.02269 0.02270 0.02277 0.02277 0.02281 0.02286 0.02288 0.02289 0.02291 0.02291 0.02293 0.02444 0.02448 0.02448 0.02449 0.02449 0.02450 0.02482 0.02575 0.02710 0.02849 0.02960 0.03181 0.03358 0.03684 0.04772 0.05859 0.06728 0.11538 0.15859 0.15990 0.15999 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16001 0.16003 0.16005 0.16015 0.16333 0.18261 0.18450 0.19639 0.20443 0.22522 0.22525 0.22526 0.22526 0.22529 0.22536 0.22628 0.23341 0.23343 0.23354 0.23362 0.23373 0.23386 0.23556 0.23575 0.23587 0.23612 0.23622 0.23631 0.23870 0.23875 0.23883 0.23916 0.23922 0.24042 0.24164 0.24622 0.24671 0.24696 0.24770 0.24795 0.24969 0.24989 0.24997 0.24997 0.24997 0.24997 0.24998 0.24998 0.24998 0.24998 0.24998 0.24998 0.24999 0.24999 0.24999 0.24999 0.24999 0.24999 0.24999 0.24999 0.24999 0.24999 0.24999 0.24999 0.24999 0.24999 0.24999 0.24999 0.24999 0.25000 0.25000 0.25000 0.25000 0.25000 0.25000 0.25000 0.25000 0.25000 0.25000 0.25000 0.25000 0.25000 0.25000 0.25000 0.25001 0.25002 0.25008 0.25039 0.25065 0.25797 0.28311 0.29084 0.29181 0.30095 0.30230 0.30402 0.30745 0.30817 0.30833 0.30871 0.30927 0.30988 0.31008 0.31065 0.31107 0.31205 0.31273 0.31285 0.31299 0.31331 0.31364 0.31408 0.31542 0.31637 0.31754 0.31829 0.31896 0.31934 0.32053 0.32121 0.32403 0.32541 0.32825 0.32898 0.33049 0.33064 0.33196 0.33274 0.33658 0.33691 0.33797 0.34096 0.34455 0.34497 0.34856 0.34948 0.34981 0.35168 0.35411 0.35721 0.35854 0.35858 0.35908 0.35908 0.35908 0.35908 0.35908 0.35908 0.35908 0.35908 0.35908 0.35909 0.35915 0.35918 0.35919 0.35919 0.35919 0.35919 0.35936 0.35990 0.36003 0.36004 0.36004 0.36004 0.36004 0.36004 0.36004 0.36004 0.36004 0.36004 0.36006 0.36031 0.36111 0.36527 0.36913 0.37684 0.37990 0.38107 0.38470 0.38581 0.38911 0.39091 0.39232 0.39360 0.39385 0.39430 0.39446 0.39447 0.39465 0.39604 0.39771 0.40181 0.40216 0.40271 0.40295 0.40339 0.40440 0.40478 0.40501 0.40703 0.40991 0.41045 0.41305 0.41326 0.41402 0.41516 0.41560 0.41575 0.41689 0.41765 0.41804 0.41813 0.41871 0.41905 0.41915 0.42003 0.42054 0.42058 0.42086 0.42100 0.42180 0.42198 0.42230 0.42327 0.42338 0.42363 0.42457 0.42491 0.42536 0.42546 0.42596 0.42619 0.42624 0.42717 0.42728 0.42749 0.42767 0.42803 0.42866 0.43152 0.43161 0.43187 0.43206 0.43300 0.43360 0.43419 0.43506 0.43535 0.43550 0.43560 0.43636 0.43684 0.43783 0.43815 0.43847 0.43849 0.43861 0.43868 0.43879 0.43918 0.43924 0.43938 0.43952 0.43975 0.44065 0.44085 0.44097 0.44116 0.44133 0.44190 0.44197 0.44242 0.44322 0.44346 0.44353 0.44366 0.44373 0.44377 0.44420 0.44462 0.44469 0.44486 0.44503 0.44547 0.44575 0.44631 0.44660 0.44667 0.44676 0.44698 0.44798 0.44805 0.44811 0.44863 0.44881 0.44887 0.44890 0.44971 0.45990 0.46250 0.46300 0.46335 0.46379 0.46418 0.46561 0.46999 0.47042 0.47052 0.47064 0.47150 0.48041 0.50079 0.50364 0.50469 0.50619 0.50665 0.50811 0.50842 0.50910 0.50948 0.50961 0.50962 0.51303 0.55541 0.55652 0.55664 0.55715 0.55734 0.56020 0.59545 -4.65012987e-05 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 R91 R92 R93 R94 R95 R96 R97 R98 R99 R100 R101 R102 R103 R104 R105 R106 R107 R108 R109 R110 R111 R112 R113 R114 R115 R116 R117 R118 R119 R120 R121 R122 R123 R124 R125 R126 R127 R128 R129 R130 R131 R132 R133 R134 R135 R136 R137 R138 R139 R140 R141 R142 R143 R144 R145 R146 R147 R148 R149 R150 R151 R152 R153 R154 R155 R156 R157 R158 R159 R160 R161 R162 R163 R164 R165 R166 R167 R168 R169 R170 R171 R172 R173 R174 R175 R176 R177 R178 R179 R180 R181 R182 R183 R184 R185 R186 R187 R188 R189 R190 R191 R192 R193 R194 R195 R196 R197 R198 R199 R200 R201 R202 R203 R204 R205 R206 R207 R208 R209 R210 R211 R212 R213 R214 R215 R216 R217 R218 R219 R220 R221 R222 R223 R224 R225 R226 R227 R228 R229 R230 R231 R232 R233 R234 R235 R236 R237 R238 R239 R240 R241 R242 R243 R244 R245 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 A190 A191 A192 A193 A194 A195 A196 A197 A198 A199 A200 A201 A202 A203 A204 A205 A206 A207 A208 A209 A210 A211 A212 A213 A214 A215 A216 A217 A218 A219 A220 A221 A222 A223 A224 A225 A226 A227 A228 A229 A230 A231 A232 A233 A234 A235 A236 A237 A238 A239 A240 A241 A242 A243 A244 A245 A246 A247 A248 A249 A250 A251 A252 A253 A254 A255 A256 A257 A258 A259 A260 A261 A262 A263 A264 A265 A266 A267 A268 A269 A270 A271 A272 A273 A274 A275 A276 A277 A278 A279 A280 A281 A282 A283 A284 A285 A286 A287 A288 A289 A290 A291 A292 A293 A294 A295 A296 A297 A298 A299 A300 A301 A302 A303 A304 A305 A306 A307 A308 A309 A310 A311 A312 A313 A314 A315 A316 A317 A318 A319 A320 A321 A322 A323 A324 A325 A326 A327 A328 A329 A330 A331 A332 A333 A334 A335 A336 A337 A338 A339 A340 A341 A342 A343 A344 A345 A346 A347 A348 A349 A350 A351 A352 A353 A354 A355 A356 A357 A358 A359 A360 A361 A362 A363 A364 A365 A366 A367 A368 A369 A370 A371 A372 A373 A374 A375 A376 A377 A378 A379 A380 A381 A382 A383 A384 A385 A386 A387 A388 A389 A390 A391 A392 A393 A394 A395 A396 A397 A398 A399 A400 A401 A402 A403 A404 A405 A406 A407 A408 A409 A410 A411 A412 A413 A414 A415 A416 A417 A418 A419 A420 A421 A422 A423 A424 A425 A426 A427 A428 A429 A430 A431 A432 A433 A434 A435 A436 A437 A438 A439 A440 A441 A442 A443 A444 A445 A446 A447 A448 A449 A450 A451 A452 A453 A454 A455 A456 A457 A458 A459 A460 A461 A462 A463 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 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2.65256 2.65442 2.65735 2.67027 2.65251 2.65513 2.64801 2.66570 2.64842 2.66536 2.67821 2.65276 2.65120 2.64837 2.67843 2.65382 2.65382 2.65251 2.66486 2.68008 2.66572 2.68147 2.68075 2.62485 2.67472 2.66529 2.68101 2.62528 2.67487 2.66558 2.62468 2.04258 2.62527 2.04241 2.67500 2.57563 2.04268 2.57669 2.67489 2.04269 2.64803 2.66203 2.65266 6.15795 2.65396 2.65541 2.66614 2.65703 2.65519 2.64962 2.65349 6.46842 2.65538 2.65704 2.66628 2.64241 2.65932 6.26039 2.64567 6.04755 2.67031 2.64836 2.66582 2.65252 2.66657 2.66045 6.56587 2.67029 2.66588 2.65411 2.64208 2.70189 2.66466 2.65511 2.64451 2.70166 2.66561 2.65450 2.70177 2.65510 2.70167 2.71796 2.52727 2.04145 2.57518 2.71811 2.52816 2.04130 2.71819 2.04140 2.71806 2.04131 2.57666 2.65268 2.65763 2.66915 2.67854 2.65705 2.67010 2.65510 2.66476 2.66620 2.64799 2.66922 2.66554 2.66536 2.64843 2.67031 2.66541 2.66587 2.65371 2.65164 2.65717 2.65251 2.66487 2.65221 2.68007 2.65456 2.66574 2.65381 2.68136 2.65521 2.67702 2.65047 2.67834 2.65386 2.62443 2.62468 2.04258 2.67448 2.62527 2.62532 2.04241 2.67975 2.67478 2.68104 2.04276 2.04270 2.62587 2.68176 2.67439 2.04248 2.68087 2.67509 2.65366 2.66576 2.66529 2.57714 2.70182 2.71852 2.04260 2.57647 2.70172 2.71788 2.04279 2.65467 2.64502 2.65524 2.64431 2.52813 2.71731 2.04149 2.04127 2.52816 2.71836 2.04129 2.04136 2.70154 2.57613 2.70188 2.04296 2.04263 2.09435 2.09244 2.09640 2.09308 2.09334 2.09677 2.09608 2.09426 2.09284 2.09377 2.09556 2.09385 2.09329 2.09434 2.09556 2.09579 2.09473 2.09265 2.09127 2.09692 2.09499 2.09255 2.09759 2.09302 2.09492 2.09060 2.09767 2.07879 2.06690 2.13749 2.12802 2.07747 2.07769 2.06573 2.08009 2.13736 2.08233 2.09676 2.10410 2.09866 2.09418 2.09031 2.08131 2.09859 2.10328 2.09991 2.09314 2.09012 2.09378 2.05499 2.13441 2.12969 2.06892 2.08457 2.09323 2.05475 2.13521 2.13127 2.06819 2.08372 2.05553 2.09231 2.13535 2.10229 2.09894 2.08195 2.05460 2.09378 2.13481 2.10383 2.09758 2.08176 2.12561 2.05798 2.09960 2.12384 2.05860 2.10074 2.12457 2.05838 2.10024 2.12533 2.05816 2.09969 2.13114 2.08378 2.06826 2.13042 2.06856 2.08420 2.09209 2.09477 2.09632 2.09256 2.09538 2.09525 2.09377 2.09437 2.09503 2.09553 2.09154 2.09609 2.09435 2.09344 2.09537 2.09279 2.09348 2.09691 2.09208 2.09274 2.09836 2.09421 2.09659 2.09238 2.09228 2.09500 2.09590 2.09582 2.09353 2.09383 2.09758 2.09230 2.09325 2.09221 2.09634 2.09461 2.09511 2.09251 2.09553 2.09230 2.09432 2.09656 2.09446 2.09146 2.09726 2.09084 2.09705 2.09524 2.09287 2.09288 2.09743 2.09425 2.09488 2.09404 2.09813 2.09141 2.09361 2.09069 2.10032 2.09216 2.09697 2.09114 2.09506 2.09020 2.09913 2.09385 2.08003 2.06829 2.13486 2.09113 2.09595 2.09609 2.07980 2.06591 2.13748 2.09083 2.09726 2.09510 2.12678 2.07816 2.07823 2.06701 2.13644 2.07974 2.12789 2.07762 2.07767 2.07928 2.06633 2.13758 2.12766 2.06970 2.08581 2.13078 2.08398 2.06842 2.09419 2.09425 1.91310 2.09455 2.09599 2.09126 2.09582 2.09385 2.09435 2.09498 2.09511 2.09447 2.09359 2.09519 2.09460 2.09328 2.02338 1.44064 2.09124 2.09521 2.09668 2.09401 2.09478 2.09440 2.09424 2.09521 2.09373 2.09618 2.09264 2.09418 1.94743 2.09276 2.09414 2.09614 1.87628 2.09579 2.09238 2.09501 2.09242 2.09463 2.09613 2.09568 2.09542 2.09194 1.40453 2.05636 2.09422 2.09631 2.09261 2.09592 2.09491 2.09236 2.09452 2.09620 2.09247 2.09664 2.08463 2.10191 2.09257 2.09469 2.09586 2.09809 2.08152 2.10357 2.09009 2.09366 2.09943 2.09554 2.10316 2.08447 2.09544 2.09571 2.09200 2.09818 2.10352 2.08149 2.09362 2.09948 2.09008 2.12394 2.05833 2.10090 2.05718 2.09359 2.13241 2.12494 2.05829 2.09996 2.09359 2.13493 2.05467 2.12337 2.10122 2.05858 2.09411 2.13227 2.05680 2.12500 2.09990 2.05829 2.05468 2.09354 2.13496 2.09572 2.09628 2.09118 2.09555 2.09325 2.09439 2.09370 2.09673 2.09272 2.09157 2.09638 2.09523 2.09515 2.09237 2.09567 2.09440 2.09485 2.09394 2.09796 2.09286 2.09233 2.09455 2.09203 2.09661 2.09522 2.09545 2.09248 2.09643 2.09229 2.09444 2.09157 2.09836 2.09325 2.09638 2.09209 2.09472 2.09232 2.09592 2.09495 2.09345 2.09402 2.09571 2.09793 2.09318 2.09204 2.09189 2.09096 2.10033 2.09699 2.09509 2.09110 2.09383 2.09014 2.09920 2.09476 2.09645 2.09197 2.09682 2.09521 2.09092 2.09289 2.09741 2.09289 2.09481 2.09411 2.09425 2.12579 2.07866 2.07872 2.07979 2.06750 2.13590 2.12785 2.07767 2.07766 2.06621 2.13758 2.07939 2.08077 2.13389 2.06852 2.09571 2.09595 2.09152 2.13750 2.06595 2.07973 2.09719 2.09511 2.09088 2.12776 2.08573 2.06966 2.13085 2.06842 2.08391 2.07874 2.13741 2.06703 2.12803 2.07768 2.07748 2.08006 2.13739 2.06574 2.09126 2.09504 2.09688 2.09309 2.09765 2.09244 2.09063 2.09759 2.09496 2.09384 2.13419 2.05516 2.12950 2.06899 2.08470 2.09331 2.13516 2.05471 2.13121 2.06819 2.08379 2.08248 2.10420 2.09650 2.09434 2.09037 2.09846 2.08132 2.10334 2.09852 2.09325 2.09008 2.09983 2.12565 2.09959 2.05794 2.12363 2.05863 2.10092 2.12467 2.10014 2.05837 2.12528 2.05816 2.09975 2.05580 2.13526 2.09212 2.09901 2.08224 2.10192 2.13485 2.09376 2.05457 2.09770 2.08168 2.10380 2.13095 2.06837 2.08386 2.13031 2.08430 2.06858 0.75947 0.85948 0.86065 0.75033 0.72203 0.74225 -0.00334 3.14076 3.13694 -0.00214 -0.00089 3.13619 -3.14117 -0.00409 -3.12791 0.00254 0.01237 -3.14036 0.00573 -3.13205 -3.13837 0.00703 -0.00181 3.12322 -3.14088 -0.01586 -0.00388 3.13878 3.13390 -0.00663 -3.14018 0.00238 0.00522 -3.13541 -0.00036 3.14128 3.14017 -0.00137 0.00423 -3.14009 -3.13630 0.00257 0.00275 -3.13434 -3.13890 0.00720 -0.00056 3.13716 3.14109 -0.00438 -0.00304 3.14012 3.13405 -0.00597 -3.13779 -0.00413 0.00643 3.14009 0.00056 3.13997 3.13953 -0.00425 -3.13702 -0.00418 0.00720 3.14005 -0.01021 3.13908 3.13930 0.00540 0.00588 -3.13850 3.13954 -0.00484 0.00112 -3.13891 -3.14086 0.00230 0.00142 3.13773 -3.13979 -0.00348 3.14136 -0.00219 -0.00061 3.13902 0.00125 3.14132 -3.13806 0.00201 -0.00010 -3.13954 3.13923 -0.00021 0.00049 3.14002 -3.13957 -0.00005 -0.00151 3.14125 3.13847 -0.00196 -0.00022 3.13933 -3.14018 -0.00063 -0.00576 -3.13862 3.13789 0.00503 0.00142 3.14082 3.14095 -0.00284 -3.13794 -0.00288 0.00574 3.14080 0.00564 3.13932 3.13853 -0.01098 -0.00357 -3.13989 3.13935 0.00303 0.00320 -3.14003 -3.13972 0.00024 3.14138 -0.00492 0.00113 3.13802 0.00530 -3.13931 -3.14154 -0.00297 0.00150 3.14093 -3.13779 0.00164 -0.00075 -3.14009 3.13859 -0.00075 -0.00065 3.13976 -3.14053 -0.00012 -0.00059 -3.14144 3.13933 -0.00153 -0.00498 -3.14010 3.13520 0.00008 0.00142 -3.14148 -3.13872 0.00156 0.00123 -3.13770 3.14135 0.00241 0.00660 -3.14076 -3.14145 -0.00562 -0.00210 -3.13903 3.13897 0.00204 0.00178 -3.14107 -3.13928 0.00106 -0.00151 -3.14114 3.13954 -0.00009 0.00670 -3.13964 -3.13953 -0.00269 0.00142 3.14070 -3.13884 0.00044 -0.00045 3.14039 -3.14075 0.00008 0.00293 -3.13719 -3.14130 0.00176 -0.00144 3.13934 -3.14122 -0.00045 -3.13975 0.00143 0.00001 3.14119 -3.13825 0.00177 0.00188 -3.14128 -0.00026 3.13245 -3.14039 -0.00768 -3.13404 0.00643 0.00609 -3.13662 -3.14129 0.00191 0.00188 -3.13812 0.00398 -3.13581 3.14120 0.00141 -0.00457 3.13622 3.14140 -0.00100 -3.13862 0.00200 -0.00140 3.13922 -3.13880 -0.00491 0.01170 -3.13759 3.14105 0.00736 -0.00943 3.14007 -3.14073 -0.00813 0.00855 3.14116 3.14035 0.00178 -0.00304 3.14157 -0.00092 3.13875 -3.14070 -0.00104 -0.00412 3.13858 3.14032 -0.00016 0.00382 3.13318 -3.14063 -0.01127 -3.12855 0.00153 0.01590 -3.13720 -0.01353 3.13921 3.12695 -0.00350 -0.00059 -3.14138 -3.13965 0.00275 0.00636 3.13925 -3.13777 -0.00488 -3.14064 -0.00525 0.00348 3.13888 -0.00040 -3.13927 3.14038 0.00151 -3.13910 -0.00543 0.01472 -3.13479 3.14127 0.00541 -0.01252 3.13481 3.13767 -0.00695 0.00479 -3.13983 -3.13953 0.00679 -0.00665 3.13968 -0.01477 3.13831 3.12889 -0.00121 0.00900 -3.14100 -3.13467 -0.00148 -3.13800 -0.00221 0.00566 3.14145 0.00074 -3.13049 3.13080 -0.00043 -0.00402 -3.13942 3.14048 0.00508 0.00595 -3.14102 -3.13855 -0.00235 3.13998 -0.00464 0.00130 3.13987 0.00349 -3.13812 3.13888 -0.00273 -3.14016 -0.00434 0.00985 -3.13751 3.14156 -0.00145 -0.00841 3.13176 3.13900 -0.00735 0.00280 3.13964 0.00262 -3.13840 3.13883 -0.00219 -0.00690 3.14050 3.13198 -0.00381 0.00402 3.14056 -3.13475 0.00178 -0.00293 -3.13740 3.13586 0.00139 0.00728 -3.12685 -3.14013 0.00892 -0.00054 -3.13910 3.14018 0.00161 0.00086 3.14060 -3.13982 -0.00008 -0.00159 3.14130 3.13910 -0.00120 0.00185 -3.13897 3.14041 -0.00042 3.14026 0.00014 0.00372 -3.13639 -0.00190 3.13910 3.14155 -0.00064 0.00158 3.14122 -3.13942 0.00022 0.00447 -3.13367 3.13887 0.00074 -0.00055 3.14009 -3.14078 -0.00014 -3.13910 0.00143 0.00114 -3.14151 0.00536 -3.11963 3.12520 0.00022 1.66352 -1.46146 -0.00496 3.12068 -3.12480 0.00083 -3.12185 0.00116 -0.00201 3.12100 2.58558 -3.14074 0.01528 -3.12481 3.14031 0.00021 0.00130 -3.13642 -3.14125 0.00422 -0.00011 3.14020 -3.14075 -0.00043 3.14093 -0.00154 -0.00162 3.13909 0.00031 -3.14134 3.13803 -0.00363 0.00100 3.13142 -3.12464 0.00578 -1.44013 1.69029 -3.13005 0.00120 -0.00439 3.12685 -2.02360 1.10765 -3.13769 2.55620 -2.58655 -1.04792 -1.63722 -0.49678 -0.00182 3.13704 3.14105 -0.00327 -3.13954 0.00207 0.00077 -3.14081 0.00115 -3.12184 3.12173 -0.00126 0.00089 3.12454 -3.11967 0.00398 -3.12704 0.00213 -0.00643 3.12273 -1.69072 1.43844 -2.57246 3.14042 -0.00298 -3.12136 3.12000 0.00161 1.53511 -1.58327 -2.59405 2.59484 0.00204 -3.13868 3.14150 0.00079 -0.00040 3.13962 -3.13986 0.00016 -3.14115 -0.00018 -0.00169 3.13928 -0.00173 -3.14028 3.13898 0.00043 3.12917 -0.00207 0.00548 -3.12575 2.04230 -1.08894 -3.13259 0.00156 -0.00890 3.12525 -1.66699 1.46716 1.06392 0.49703 1.65702 3.13795 2.57107 -2.55214 3.13996 -0.00165 -0.00006 3.14151 -3.13951 0.00132 0.00051 3.14134 0.00334 -3.12582 3.14028 0.01112 0.00221 3.13903 -3.13469 0.00214 3.14124 -0.00425 -0.00502 3.13268 -0.00336 -3.13950 3.12578 -0.01036 0.00173 -3.13923 -3.14132 0.00090 -0.00025 3.14014 -3.14036 0.00002 -0.00064 -3.14132 3.13949 -0.00119 -0.00166 -3.14097 3.13931 -0.00000 3.12949 -0.00466 -0.00738 -3.14153 -3.13612 0.00216 0.00074 3.13902 3.13955 -0.00128 -0.00085 3.14150 0.00113 -3.13949 3.14153 0.00090 0.00367 -3.13394 3.14044 0.00284 0.00066 3.13689 -3.13600 0.00023 -0.00351 -3.13749 3.13401 0.00003 -3.13944 0.00122 0.00132 -3.14121 -0.00006 3.14074 -3.14079 0.00000 3.13459 -0.00361 -0.00176 -3.13996 -0.00113 3.13947 3.14124 -0.00134 0.00033 3.14062 -3.14024 0.00004 -0.00299 3.14053 3.13676 -0.00290 0.00639 -3.13911 -3.13337 0.00431 3.14097 0.00094 -0.00246 3.14071 0.00287 -3.13676 -3.14065 0.00290 -0.00704 3.13295 -3.13967 0.00032 -3.13854 0.01029 -0.00593 -3.14028 3.13473 -0.00589 -0.00296 3.13961 3.13960 -0.00349 -0.00591 3.13418 0.00092 -3.14061 -3.13907 0.00258 -0.00022 3.13980 3.13176 -0.01141 0.00105 -3.13921 -3.13093 0.01199 -3.13420 0.01002 -0.00219 -3.14115 0.00101 -3.13609 -3.13901 0.00708 0.00860 -3.14024 -3.14128 -0.00694 -0.00568 3.13569 -3.13900 0.00238 -3.13840 0.00733 -0.00509 3.14064 -0.00970 3.14013 3.13912 0.00577 3.14090 0.00080 -0.00203 3.14106 -3.13951 -0.02107 0.00341 3.12186 -3.14145 0.00008 0.00036 -3.14130 -3.13905 -0.00050 0.00232 3.14087 0.00163 3.14058 3.13440 -0.00983 -0.01075 3.13101 3.13966 -0.00176 -3.13047 0.00953 0.00233 -3.14085 -0.00431 -3.14003 3.13992 0.00420 0.00594 -3.13981 -3.13980 -0.00236 -0.00406 3.13810 -3.14151 0.00064 0.00188 -3.13893 3.13934 -0.00146 -0.00657 3.13975 3.13917 0.00231 3.13893 0.02046 -0.00283 -3.12130 -3.13806 -0.00190 0.00370 3.13986 3.13989 0.00134 -0.00226 -3.14081 -3.13928 0.00004 0.00288 -3.14099 0.00084 -3.13910 3.13612 -0.00383 -0.00449 3.13383 -3.13976 -0.00144 -0.00378 3.14109 3.13617 -0.00214 -3.13912 0.00165 0.00068 3.14145 3.13955 -0.00098 -0.00025 -3.14078 3.14115 0.00499 0.00270 -3.13346 -3.13406 -0.00002 0.00428 3.13833 -0.00114 -3.14046 3.13943 0.00011 -0.00194 -3.14149 3.13778 -0.00177 0.00203 -3.14055 -3.13776 0.00284 -3.13926 -0.00045 0.00047 3.13928 -0.00406 3.14032 3.13951 0.00071 -3.13849 0.00210 0.00105 -3.14154 0.00002 3.13965 -3.14058 -0.00095 3.14159 -0.00452 -0.00100 3.13608 0.00702 3.14033 -3.13737 -0.00406 -0.00208 -3.14087 3.13719 -0.00160 0.00038 -3.14147 -3.13899 0.00235 -3.13796 0.00085 0.00136 3.14017 0.00054 -3.14005 3.14036 -0.00023 -0.00388 3.14009 3.13941 0.00019 -3.13932 0.00154 0.00054 3.14140 3.13999 0.00291 -0.00134 -3.13843 -3.14134 -0.00570 -0.00001 3.13564 3.13894 0.00562 -0.00502 -3.13834 -3.13854 -0.00174 0.00545 -3.14094 -0.00166 -3.14040 3.13823 -0.00052 -0.00165 3.13768 -3.14158 -0.00224 0.00031 -3.14053 3.14072 -0.00012 3.13937 -0.00182 -0.00108 3.14092 3.14101 0.00531 0.00162 -3.13408 -3.14108 -0.00279 -0.00179 3.13650 -0.00184 -3.13868 3.13936 0.00252 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000282 0.000037 0.031676 0.002739 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.429680e-06 0.10000e-02 0.10000e-05 F 6093 A 5334 A 8125 6093 32175.5662787534 181 1.00e+00 60 T IExCor= 1009 DFT=T Ex+Corr=PBE0DH ExCW=0 ScaHFX= 0.500000 ScaDFX= 0.500000 0.500000 0.875000 0.875000 ScalE2= 0.125000 0.125000 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. One-electron integral symmetry used in STVInt NBasis= 5334 RedAO= T EigKep= 1.00D-06 NBF= 5334 NBsUse= 5095 1.00D-06 EigRej= 9.60D-07 NBFU= 5095 Berny optimization. local minimum Step number 24 out of a maximum of 1086 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00005 0.00427 0.00723 0.00811 0.01631 0.01772 0.01776 0.01784 0.01792 0.01794 0.01817 0.01853 0.01854 0.01854 0.01856 0.01856 0.01869 0.01903 0.01905 0.01908 0.01909 0.01914 0.01914 0.01917 0.01933 0.01934 0.01934 0.01941 0.01942 0.01946 0.01947 0.01949 0.01951 0.01951 0.01952 0.01953 0.01953 0.01955 0.01956 0.01956 0.01957 0.01958 0.01958 0.01958 0.01959 0.01959 0.01960 0.01960 0.01961 0.01963 0.01964 0.01964 0.01965 0.01965 0.01967 0.01968 0.01968 0.01970 0.01970 0.01972 0.01973 0.01973 0.01974 0.01976 0.01977 0.01978 0.01979 0.01980 0.01981 0.01982 0.01982 0.01983 0.01983 0.01984 0.01985 0.01986 0.01986 0.01987 0.01988 0.01988 0.01988 0.01989 0.01989 0.01991 0.01991 0.01992 0.01992 0.01994 0.01994 0.01995 0.01996 0.01996 0.01996 0.01997 0.01997 0.01999 0.01999 0.02000 0.02001 0.02001 0.02002 0.02004 0.02004 0.02006 0.02008 0.02008 0.02009 0.02010 0.02013 0.02021 0.02024 0.02045 0.02060 0.02069 0.02070 0.02083 0.02089 0.02100 0.02106 0.02112 0.02122 0.02124 0.02129 0.02131 0.02134 0.02138 0.02140 0.02146 0.02153 0.02155 0.02159 0.02161 0.02178 0.02180 0.02181 0.02181 0.02181 0.02182 0.02182 0.02183 0.02188 0.02189 0.02190 0.02197 0.02228 0.02231 0.02231 0.02231 0.02232 0.02232 0.02245 0.02265 0.02269 0.02269 0.02274 0.02277 0.02278 0.02281 0.02284 0.02287 0.02289 0.02291 0.02291 0.02303 0.02363 0.02445 0.02448 0.02448 0.02449 0.02450 0.02450 0.02502 0.02531 0.02632 0.02825 0.02966 0.03211 0.03817 0.05190 0.06573 0.11523 0.15402 0.15981 0.15992 0.15999 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16003 0.16003 0.16016 0.16054 0.18153 0.18292 0.19635 0.20369 0.22521 0.22525 0.22526 0.22526 0.22529 0.22537 0.22614 0.23342 0.23344 0.23356 0.23361 0.23373 0.23411 0.23556 0.23575 0.23612 0.23622 0.23632 0.23645 0.23869 0.23871 0.23883 0.23916 0.23937 0.24030 0.24190 0.24602 0.24661 0.24671 0.24768 0.24781 0.24969 0.24971 0.24990 0.24996 0.24997 0.24998 0.24998 0.24998 0.24998 0.24998 0.24998 0.24998 0.24999 0.24999 0.24999 0.24999 0.24999 0.24999 0.24999 0.24999 0.24999 0.24999 0.24999 0.24999 0.24999 0.24999 0.24999 0.24999 0.25000 0.25000 0.25000 0.25000 0.25000 0.25000 0.25000 0.25000 0.25000 0.25000 0.25000 0.25000 0.25000 0.25000 0.25000 0.25000 0.25000 0.25000 0.25004 0.25062 0.25139 0.25248 0.28296 0.28807 0.29175 0.29902 0.30201 0.30399 0.30774 0.30815 0.30834 0.30865 0.30929 0.30996 0.31009 0.31063 0.31098 0.31205 0.31250 0.31297 0.31299 0.31333 0.31367 0.31409 0.31544 0.31631 0.31762 0.31800 0.31902 0.31942 0.32053 0.32137 0.32404 0.32538 0.32837 0.32898 0.33037 0.33088 0.33202 0.33287 0.33663 0.33789 0.33932 0.34098 0.34470 0.34709 0.34868 0.34977 0.35151 0.35171 0.35490 0.35608 0.35850 0.35904 0.35908 0.35908 0.35908 0.35908 0.35908 0.35908 0.35908 0.35908 0.35908 0.35910 0.35913 0.35919 0.35919 0.35919 0.35919 0.35920 0.35944 0.36002 0.36003 0.36004 0.36004 0.36004 0.36004 0.36004 0.36004 0.36004 0.36004 0.36004 0.36008 0.36051 0.36525 0.36782 0.37359 0.37678 0.38104 0.38351 0.38576 0.38871 0.39035 0.39143 0.39328 0.39365 0.39384 0.39429 0.39447 0.39455 0.39520 0.39655 0.39761 0.40143 0.40182 0.40287 0.40313 0.40336 0.40470 0.40487 0.40511 0.40833 0.41017 0.41089 0.41300 0.41309 0.41371 0.41501 0.41574 0.41676 0.41707 0.41744 0.41804 0.41831 0.41871 0.41903 0.41956 0.42003 0.42047 0.42068 0.42096 0.42135 0.42183 0.42196 0.42251 0.42304 0.42329 0.42340 0.42408 0.42482 0.42531 0.42550 0.42554 0.42598 0.42646 0.42688 0.42717 0.42740 0.42768 0.42824 0.42957 0.43152 0.43163 0.43188 0.43201 0.43296 0.43325 0.43402 0.43487 0.43511 0.43549 0.43626 0.43658 0.43701 0.43776 0.43815 0.43832 0.43848 0.43857 0.43874 0.43883 0.43884 0.43919 0.43942 0.43951 0.43954 0.43976 0.44083 0.44088 0.44095 0.44123 0.44154 0.44192 0.44229 0.44275 0.44330 0.44347 0.44365 0.44366 0.44376 0.44421 0.44460 0.44470 0.44478 0.44495 0.44545 0.44581 0.44593 0.44661 0.44665 0.44697 0.44701 0.44800 0.44806 0.44812 0.44872 0.44878 0.44886 0.44889 0.45050 0.45838 0.46251 0.46304 0.46336 0.46364 0.46381 0.46883 0.46977 0.47041 0.47052 0.47064 0.47520 0.48814 0.50309 0.50364 0.50542 0.50664 0.50711 0.50812 0.50894 0.50910 0.50948 0.50962 0.51006 0.52073 0.55649 0.55662 0.55723 0.55738 0.55740 0.56190 0.63519 -1.01175292e-04 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 R91 R92 R93 R94 R95 R96 R97 R98 R99 R100 R101 R102 R103 R104 R105 R106 R107 R108 R109 R110 R111 R112 R113 R114 R115 R116 R117 R118 R119 R120 R121 R122 R123 R124 R125 R126 R127 R128 R129 R130 R131 R132 R133 R134 R135 R136 R137 R138 R139 R140 R141 R142 R143 R144 R145 R146 R147 R148 R149 R150 R151 R152 R153 R154 R155 R156 R157 R158 R159 R160 R161 R162 R163 R164 R165 R166 R167 R168 R169 R170 R171 R172 R173 R174 R175 R176 R177 R178 R179 R180 R181 R182 R183 R184 R185 R186 R187 R188 R189 R190 R191 R192 R193 R194 R195 R196 R197 R198 R199 R200 R201 R202 R203 R204 R205 R206 R207 R208 R209 R210 R211 R212 R213 R214 R215 R216 R217 R218 R219 R220 R221 R222 R223 R224 R225 R226 R227 R228 R229 R230 R231 R232 R233 R234 R235 R236 R237 R238 R239 R240 R241 R242 R243 R244 R245 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 A190 A191 A192 A193 A194 A195 A196 A197 A198 A199 A200 A201 A202 A203 A204 A205 A206 A207 A208 A209 A210 A211 A212 A213 A214 A215 A216 A217 A218 A219 A220 A221 A222 A223 A224 A225 A226 A227 A228 A229 A230 A231 A232 A233 A234 A235 A236 A237 A238 A239 A240 A241 A242 A243 A244 A245 A246 A247 A248 A249 A250 A251 A252 A253 A254 A255 A256 A257 A258 A259 A260 A261 A262 A263 A264 A265 A266 A267 A268 A269 A270 A271 A272 A273 A274 A275 A276 A277 A278 A279 A280 A281 A282 A283 A284 A285 A286 A287 A288 A289 A290 A291 A292 A293 A294 A295 A296 A297 A298 A299 A300 A301 A302 A303 A304 A305 A306 A307 A308 A309 A310 A311 A312 A313 A314 A315 A316 A317 A318 A319 A320 A321 A322 A323 A324 A325 A326 A327 A328 A329 A330 A331 A332 A333 A334 A335 A336 A337 A338 A339 A340 A341 A342 A343 A344 A345 A346 A347 A348 A349 A350 A351 A352 A353 A354 A355 A356 A357 A358 A359 A360 A361 A362 A363 A364 A365 A366 A367 A368 A369 A370 A371 A372 A373 A374 A375 A376 A377 A378 A379 A380 A381 A382 A383 A384 A385 A386 A387 A388 A389 A390 A391 A392 A393 A394 A395 A396 A397 A398 A399 A400 A401 A402 A403 A404 A405 A406 A407 A408 A409 A410 A411 A412 A413 A414 A415 A416 A417 A418 A419 A420 A421 A422 A423 A424 A425 A426 A427 A428 A429 A430 A431 A432 A433 A434 A435 A436 A437 A438 A439 A440 A441 A442 A443 A444 A445 A446 A447 A448 A449 A450 A451 A452 A453 A454 A455 A456 A457 A458 A459 A460 A461 A462 A463 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 D340 D341 D342 D343 D344 D345 D346 D347 D348 D349 D350 D351 D352 D353 D354 D355 D356 D357 D358 D359 D360 D361 D362 D363 D364 D365 D366 D367 D368 D369 D370 D371 D372 D373 D374 D375 D376 D377 D378 D379 D380 D381 D382 D383 D384 D385 D386 D387 D388 D389 D390 D391 D392 D393 D394 D395 D396 D397 D398 D399 D400 D401 D402 D403 D404 D405 D406 D407 D408 D409 D410 D411 D412 D413 D414 D415 D416 D417 D418 D419 D420 D421 D422 D423 D424 D425 D426 D427 D428 D429 D430 D431 D432 D433 D434 D435 D436 D437 D438 D439 D440 D441 D442 D443 D444 D445 D446 D447 D448 D449 D450 D451 D452 D453 D454 D455 D456 D457 D458 D459 D460 D461 D462 D463 D464 D465 D466 D467 D468 D469 D470 D471 D472 D473 D474 D475 D476 D477 D478 D479 D480 D481 D482 D483 D484 D485 D486 D487 D488 D489 D490 D491 D492 D493 D494 D495 D496 D497 D498 D499 D500 D501 D502 D503 D504 D505 D506 D507 D508 D509 D510 D511 D512 D513 D514 D515 D516 D517 D518 D519 D520 D521 D522 D523 D524 D525 D526 D527 D528 D529 D530 D531 D532 D533 D534 D535 D536 D537 D538 D539 D540 D541 D542 D543 D544 D545 D546 D547 D548 D549 D550 D551 D552 D553 D554 D555 D556 D557 D558 D559 D560 D561 D562 D563 D564 D565 D566 D567 D568 D569 D570 D571 D572 D573 D574 D575 D576 D577 D578 D579 D580 D581 D582 D583 D584 D585 D586 D587 D588 D589 D590 D591 D592 D593 D594 D595 D596 D597 D598 D599 D600 D601 D602 D603 D604 D605 D606 D607 D608 D609 D610 D611 D612 D613 D614 D615 D616 D617 D618 D619 D620 D621 D622 D623 D624 D625 D626 D627 D628 D629 D630 D631 D632 D633 D634 D635 D636 D637 D638 D639 D640 D641 D642 D643 D644 D645 D646 D647 D648 D649 D650 D651 D652 D653 D654 D655 D656 D657 D658 D659 D660 D661 D662 D663 D664 D665 D666 D667 D668 D669 D670 D671 D672 D673 D674 D675 D676 D677 D678 D679 D680 D681 D682 D683 D684 D685 D686 D687 D688 D689 D690 D691 D692 D693 D694 D695 D696 D697 D698 D699 D700 D701 D702 D703 D704 D705 D706 D707 D708 D709 D710 D711 D712 D713 D714 D715 D716 D717 D718 D719 D720 D721 D722 D723 D724 D725 D726 D727 D728 D729 D730 D731 D732 D733 D734 D735 D736 D737 D738 D739 D740 D741 D742 D743 D744 D745 D746 D747 D748 D749 D750 D751 D752 D753 D754 D755 D756 D757 D758 D759 D760 D761 D762 D763 D764 D765 D766 D767 D768 D769 D770 D771 D772 D773 D774 D775 D776 D777 D778 D779 D780 D781 D782 D783 D784 D785 D786 D787 D788 D789 D790 D791 D792 D793 D794 D795 D796 D797 D798 D799 D800 D801 D802 D803 D804 D805 D806 D807 D808 D809 D810 D811 D812 D813 D814 D815 D816 D817 D818 D819 D820 D821 D822 D823 D824 D825 D826 D827 D828 D829 D830 D831 D832 D833 D834 D835 D836 D837 D838 D839 D840 D841 D842 D843 D844 D845 D846 D847 D848 D849 D850 D851 D852 D853 D854 D855 D856 D857 D858 D859 D860 D861 D862 D863 D864 D865 D866 D867 D868 D869 D870 D871 D872 2.65293 2.65381 2.66648 2.65406 2.66581 2.65438 2.66688 2.65361 2.66699 2.65434 2.66679 2.66701 2.65378 2.68176 2.66571 2.67854 2.65360 2.68077 2.66515 2.65357 2.62573 2.67451 2.62476 2.04248 2.67510 2.62468 2.65494 2.70190 2.64463 2.66528 2.65523 2.70168 2.64430 2.66593 2.57703 2.71853 2.04261 2.57643 2.71786 2.04283 2.70154 2.71735 2.57619 2.65494 2.70193 2.71840 2.57668 2.65519 2.52818 2.04148 2.04127 2.52815 2.04129 2.04139 2.67456 2.04297 2.67507 2.57666 2.04264 2.65505 2.65770 2.66520 2.65466 2.65685 2.66611 2.65453 2.65254 2.66956 2.65232 2.66992 2.65226 2.65444 2.66962 2.65245 2.65427 2.65734 2.67018 2.65261 2.65515 2.64809 2.66567 2.64845 2.66544 2.67843 2.65274 2.65095 2.64813 2.67840 2.65380 2.65391 2.65241 2.66478 2.68033 2.66571 2.68154 2.68064 2.62505 2.67451 2.66532 2.68103 2.62533 2.67479 2.66550 2.62439 2.04258 2.62519 2.04242 2.67504 2.57584 2.04269 2.57675 2.67481 2.04270 2.64787 2.66193 2.65268 6.13729 2.65380 2.65542 2.66604 2.65712 2.65522 2.64932 2.65378 6.44390 2.65540 2.65713 2.66635 2.64221 2.65930 6.27434 2.64567 6.04675 2.67028 2.64833 2.66586 2.65242 2.66703 2.66029 6.57377 2.67026 2.66592 2.65408 2.64226 2.70159 2.66474 2.65515 2.64451 2.70159 2.66554 2.65448 2.70156 2.65514 2.70160 2.71789 2.52735 2.04143 2.57541 2.71808 2.52818 2.04131 2.71809 2.04139 2.71803 2.04132 2.57673 2.65247 2.65772 2.66917 2.67850 2.65689 2.67003 2.65504 2.66465 2.66610 2.64807 2.66917 2.66550 2.66518 2.64847 2.67022 2.66548 2.66592 2.65374 2.65147 2.65718 2.65260 2.66478 2.65220 2.68031 2.65477 2.66573 2.65379 2.68142 2.65516 2.67719 2.65031 2.67830 2.65395 2.62415 2.62487 2.04260 2.67451 2.62519 2.62537 2.04241 2.67976 2.67453 2.68105 2.04277 2.04271 2.62581 2.68180 2.67440 2.04250 2.68083 2.67508 2.65368 2.66575 2.66528 2.57708 2.70188 2.71852 2.04261 2.57644 2.70171 2.71788 2.04281 2.65482 2.64475 2.65520 2.64434 2.52813 2.71730 2.04150 2.04128 2.52814 2.71840 2.04129 2.04138 2.70160 2.57601 2.70187 2.04299 2.04264 2.09432 2.09251 2.09636 2.09314 2.09337 2.09667 2.09608 2.09427 2.09283 2.09372 2.09558 2.09389 2.09327 2.09438 2.09554 2.09582 2.09470 2.09266 2.09126 2.09690 2.09502 2.09252 2.09757 2.09305 2.09494 2.09060 2.09765 2.07879 2.06685 2.13754 2.12804 2.07748 2.07767 2.06571 2.08011 2.13736 2.08221 2.09676 2.10421 2.09868 2.09419 2.09027 2.08129 2.09860 2.10330 2.09991 2.09313 2.09013 2.09385 2.05491 2.13442 2.12973 2.06892 2.08453 2.09324 2.05473 2.13521 2.13127 2.06819 2.08373 2.05550 2.09239 2.13530 2.10227 2.09903 2.08186 2.05457 2.09380 2.13482 2.10384 2.09758 2.08174 2.12563 2.05802 2.09953 2.12383 2.05868 2.10068 2.12459 2.05839 2.10021 2.12535 2.05817 2.09967 2.13121 2.08369 2.06828 2.13044 2.06854 2.08421 2.09204 2.09474 2.09638 2.09260 2.09537 2.09518 2.09375 2.09441 2.09503 2.09557 2.09139 2.09610 2.09432 2.09338 2.09537 2.09286 2.09346 2.09686 2.09197 2.09276 2.09846 2.09430 2.09663 2.09226 2.09227 2.09501 2.09588 2.09584 2.09354 2.09380 2.09767 2.09220 2.09324 2.09218 2.09638 2.09456 2.09508 2.09252 2.09550 2.09235 2.09430 2.09652 2.09445 2.09152 2.09721 2.09080 2.09710 2.09525 2.09289 2.09285 2.09742 2.09421 2.09488 2.09405 2.09809 2.09140 2.09368 2.09058 2.10030 2.09229 2.09697 2.09113 2.09506 2.09020 2.09915 2.09380 2.07997 2.06840 2.13482 2.09127 2.09589 2.09602 2.07976 2.06592 2.13750 2.09083 2.09726 2.09509 2.12677 2.07796 2.07844 2.06689 2.13656 2.07974 2.12792 2.07754 2.07773 2.07930 2.06628 2.13761 2.12765 2.06987 2.08564 2.13078 2.08391 2.06849 2.09410 2.09432 1.90802 2.09455 2.09592 2.09133 2.09583 2.09385 2.09435 2.09499 2.09507 2.09450 2.09361 2.09548 2.09448 2.09309 2.01694 1.44440 2.09125 2.09497 2.09692 2.09401 2.09479 2.09439 2.09426 2.09517 2.09376 2.09620 2.09272 2.09406 1.95408 2.09291 2.09403 2.09608 1.87707 2.09581 2.09236 2.09501 2.09239 2.09462 2.09617 2.09554 2.09566 2.09183 1.39674 2.06161 2.09421 2.09625 2.09269 2.09594 2.09491 2.09234 2.09451 2.09624 2.09244 2.09655 2.08471 2.10192 2.09264 2.09464 2.09586 2.09809 2.08152 2.10357 2.09010 2.09365 2.09943 2.09555 2.10304 2.08458 2.09559 2.09568 2.09189 2.09818 2.10352 2.08149 2.09361 2.09949 2.09009 2.12386 2.05837 2.10095 2.05728 2.09354 2.13235 2.12493 2.05833 2.09993 2.09358 2.13493 2.05468 2.12332 2.10126 2.05859 2.09400 2.13224 2.05694 2.12498 2.09987 2.05833 2.05469 2.09353 2.13496 2.09577 2.09631 2.09110 2.09554 2.09322 2.09440 2.09363 2.09667 2.09277 2.09155 2.09649 2.09514 2.09513 2.09245 2.09561 2.09444 2.09482 2.09392 2.09805 2.09287 2.09225 2.09449 2.09201 2.09669 2.09518 2.09542 2.09249 2.09637 2.09233 2.09438 2.09152 2.09841 2.09326 2.09640 2.09208 2.09471 2.09231 2.09591 2.09495 2.09346 2.09400 2.09573 2.09787 2.09328 2.09201 2.09202 2.09086 2.10031 2.09699 2.09509 2.09109 2.09378 2.09014 2.09922 2.09471 2.09646 2.09201 2.09686 2.09519 2.09095 2.09291 2.09741 2.09287 2.09482 2.09412 2.09422 2.12584 2.07880 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-0.00224 -3.14089 3.13743 -0.00122 0.00188 -3.14158 -3.13787 0.00185 -3.13844 0.00032 0.00127 3.14003 0.00103 -3.13988 3.14034 -0.00058 -0.00581 3.14156 3.13797 0.00215 -3.13960 0.00129 -0.00025 3.14064 3.14112 0.00016 0.00139 -3.13958 3.14134 -0.00458 -0.00213 3.13513 3.13708 0.00907 -0.01027 -3.13828 -3.13771 -0.00407 0.00971 -3.13983 -0.00163 -3.14032 3.13826 -0.00044 -0.00108 3.13813 -3.14100 -0.00179 0.00026 -3.14060 3.14060 -0.00027 3.13974 -0.00208 -0.00062 3.14074 3.14148 0.00417 0.00221 -3.13510 -3.14115 -0.00275 -0.00200 3.13641 -0.00414 -3.13785 3.13768 0.00397 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000164 0.000024 0.000712 0.000106 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.958695e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 R91 R92 R93 R94 R95 R96 R97 R98 R99 R100 R101 R102 R103 R104 R105 R106 R107 R108 R109 R110 R111 R112 R113 R114 R115 R116 R117 R118 R119 R120 R121 R122 R123 R124 R125 R126 R127 R128 R129 R130 R131 R132 R133 R134 R135 R136 R137 R138 R139 R140 R141 R142 R143 R144 R145 R146 R147 R148 R149 R150 R151 R152 R153 R154 R155 R156 R157 R158 R159 R160 R161 R162 R163 R164 R165 R166 R167 R168 R169 R170 R171 R172 R173 R174 R175 R176 R177 R178 R179 R180 R181 R182 R183 R184 R185 R186 R187 R188 R189 R190 R191 R192 R193 R194 R195 R196 R197 R198 R199 R200 R201 R202 R203 R204 R205 R206 R207 R208 R209 R210 R211 R212 R213 R214 R215 R216 R217 R218 R219 R220 R221 R222 R223 R224 R225 R226 R227 R228 R229 R230 R231 R232 R233 R234 R235 R236 R237 R238 R239 R240 R241 R242 R243 R244 R245 1 1 1 2 2 3 3 4 4 5 5 6 7 7 7 8 8 9 9 9 10 10 11 11 12 12 13 13 13 14 15 15 15 16 17 17 18 19 19 20 21 21 21 22 23 23 23 24 25 25 26 27 27 28 29 29 30 30 30 31 31 31 32 33 33 33 34 34 35 36 36 37 37 37 38 39 39 39 40 41 41 43 43 45 45 45 46 47 47 47 48 49 49 51 51 53 53 53 54 55 55 55 56 57 57 59 59 60 61 61 62 62 62 63 63 63 63 64 65 65 65 66 67 67 67 69 69 71 71 71 71 72 72 73 73 73 74 75 75 75 77 77 79 79 79 80 81 81 81 82 83 83 85 85 87 87 87 88 89 89 89 91 91 93 93 94 95 95 95 96 97 97 98 98 100 101 101 101 102 103 103 103 104 105 105 107 107 109 109 109 110 111 111 111 112 113 113 115 115 117 117 117 118 119 119 119 121 121 123 125 126 127 127 127 128 129 129 130 130 132 133 133 133 134 135 135 135 136 137 137 139 139 141 141 141 142 143 143 143 144 145 145 147 149 150 2 6 68 3 64 4 99 5 70 6 66 32 8 10 14 35 132 12 16 131 11 18 129 176 20 128 14 17 22 42 16 19 24 44 18 26 177 20 28 178 22 25 29 50 24 27 150 52 26 161 179 28 162 180 58 163 120 147 164 32 34 38 100 36 40 99 35 42 97 44 96 38 41 46 68 40 43 48 70 42 50 44 52 46 49 54 76 48 51 56 78 50 58 52 60 54 57 61 84 56 59 126 86 58 165 60 166 150 92 167 90 123 168 64 67 72 181 106 66 69 74 108 68 76 181 70 78 72 75 80 181 114 181 74 77 82 116 76 84 181 78 86 80 83 88 122 82 85 90 124 84 92 86 94 88 91 151 125 90 93 152 92 169 94 170 126 96 98 102 131 100 104 99 106 108 102 105 110 138 104 107 112 140 106 114 108 116 110 113 118 146 112 115 120 148 114 122 116 124 118 121 153 149 120 123 154 122 125 124 155 156 128 130 134 171 132 136 131 138 140 134 137 142 172 136 139 144 173 138 146 140 148 142 145 157 174 144 147 158 175 146 149 148 159 160 1.4039 1.4043 1.411 1.4045 1.4107 1.4046 1.4113 1.4042 1.4113 1.4046 1.4112 1.4113 1.4043 1.4191 1.4106 1.4174 1.4042 1.4186 1.4103 1.4042 1.3895 1.4153 1.389 1.0808 1.4156 1.3889 1.4049 1.4298 1.3995 1.4104 1.4051 1.4297 1.3993 1.4108 1.3637 1.4386 1.0809 1.3634 1.4382 1.081 1.4296 1.438 1.3633 1.4049 1.4298 1.4385 1.3635 1.4051 1.3379 1.0803 1.0802 1.3378 1.0802 1.0803 1.4153 1.0811 1.4156 1.3635 1.0809 1.405 1.4064 1.4104 1.4048 1.4059 1.4108 1.4047 1.4037 1.4127 1.4035 1.4129 1.4035 1.4047 1.4127 1.4036 1.4046 1.4062 1.413 1.4037 1.405 1.4013 1.4106 1.4015 1.4105 1.4174 1.4038 1.4028 1.4013 1.4173 1.4043 1.4044 1.4036 1.4101 1.4184 1.4106 1.419 1.4185 1.3891 1.4153 1.4104 1.4187 1.3893 1.4154 1.4105 1.3888 1.0809 1.3892 1.0808 1.4156 1.3631 1.0809 1.3636 1.4154 1.0809 1.4012 1.4086 1.4037 3.2477 1.4043 1.4052 1.4108 1.4061 1.4051 1.402 1.4043 3.41 1.4052 1.4061 1.411 1.3982 1.4072 3.3202 1.4 3.1998 1.4131 1.4014 1.4107 1.4036 1.4113 1.4078 3.4787 1.413 1.4107 1.4045 1.3982 1.4296 1.4101 1.405 1.3994 1.4296 1.4105 1.4047 1.4296 1.405 1.4296 1.4382 1.3374 1.0803 1.3628 1.4383 1.3379 1.0802 1.4383 1.0803 1.4383 1.0802 1.3635 1.4036 1.4064 1.4125 1.4174 1.406 1.4129 1.405 1.4101 1.4108 1.4013 1.4125 1.4105 1.4104 1.4015 1.413 1.4105 1.4107 1.4043 1.4031 1.4061 1.4037 1.4101 1.4035 1.4184 1.4048 1.4106 1.4043 1.4189 1.405 1.4167 1.4025 1.4173 1.4044 1.3886 1.389 1.0809 1.4153 1.3892 1.3893 1.0808 1.4181 1.4153 1.4188 1.081 1.081 1.3895 1.4191 1.4152 1.0808 1.4186 1.4156 1.4043 1.4107 1.4104 1.3637 1.4298 1.4386 1.0809 1.3634 1.4297 1.4382 1.081 1.4049 1.3995 1.4051 1.3993 1.3378 1.4379 1.0803 1.0802 1.3378 1.4385 1.0802 1.0803 1.4296 1.3632 1.4298 1.0811 1.0809 -DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 A190 A191 A192 A193 A194 A195 A196 A197 A198 A199 A200 A201 A202 A203 A204 A205 A206 A207 A208 A209 A210 A211 A212 A213 A214 A215 A216 A217 A218 A219 A220 A221 A222 A223 A224 A225 A226 A227 A228 A229 A230 A231 A232 A233 A234 A235 A236 A237 A238 A239 A240 A241 A242 A243 A244 A245 A246 A247 A248 A249 A250 A251 A252 A253 A254 A255 A256 A257 A258 A259 A260 A261 A262 A263 A264 A265 A266 A267 A268 A269 A270 A271 A272 A273 A274 A275 A276 A277 A278 A279 A280 A281 A282 A283 A284 A285 A286 A287 A288 A289 A290 A291 A292 A293 A294 A295 A296 A297 A298 A299 A300 A301 A302 A303 A304 A305 A306 A307 A308 A309 A310 A311 A312 A313 A314 A315 A316 A317 A318 A319 A320 A321 A322 A323 A324 A325 A326 A327 A328 A329 A330 A331 A332 A333 A334 A335 A336 A337 A338 A339 A340 A341 A342 A343 A344 A345 A346 A347 A348 A349 A350 A351 A352 A353 A354 A355 A356 A357 A358 A359 A360 A361 A362 A363 A364 A365 A366 A367 A368 A369 A370 A371 A372 A373 A374 A375 A376 A377 A378 A379 A380 A381 A382 A383 A384 A385 A386 A387 A388 A389 A390 A391 A392 A393 A394 A395 A396 A397 A398 A399 A400 A401 A402 A403 A404 A405 A406 A407 A408 A409 A410 A411 A412 A413 A414 A415 A416 A417 A418 A419 A420 A421 A422 A423 A424 A425 A426 A427 A428 A429 A430 A431 A432 A433 A434 A435 A436 A437 A438 A439 A440 A441 A442 A443 A444 A445 A446 A447 A448 A449 A450 A451 A452 A453 A454 A455 A456 A457 A458 A459 A460 A461 A462 A463 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 8 8 10 7 7 35 12 12 16 7 7 11 10 10 129 9 9 20 14 14 17 7 7 13 16 16 19 9 9 15 13 13 18 10 10 17 15 15 20 12 12 19 22 22 25 13 13 21 24 24 27 15 15 23 21 21 26 17 17 25 23 23 28 19 19 27 21 21 58 120 120 147 32 32 34 6 6 31 36 36 40 31 31 35 8 8 34 33 33 44 38 38 41 31 31 37 40 40 43 33 33 39 37 37 42 14 14 34 39 39 44 16 16 36 46 46 49 37 37 45 48 48 51 39 39 47 45 45 50 22 22 41 47 47 52 24 24 43 54 54 57 45 45 53 56 56 59 47 47 55 53 53 58 29 29 49 55 55 60 51 51 59 53 53 92 90 90 123 64 64 64 67 2 2 63 66 66 69 5 5 65 63 63 68 68 76 1 1 38 65 65 70 4 4 40 72 72 75 80 63 63 71 114 74 74 77 65 65 73 71 71 76 76 84 46 46 67 73 73 78 48 48 69 80 80 83 71 71 79 82 82 85 73 73 81 79 79 84 54 54 75 81 81 86 56 56 77 88 88 91 79 79 87 90 90 93 62 62 81 87 87 92 61 61 83 89 89 94 85 85 93 96 96 98 36 36 95 35 35 100 95 95 99 3 3 33 32 32 97 102 102 105 95 95 101 104 104 107 97 97 103 101 101 106 64 64 98 103 103 108 66 66 100 110 110 113 101 101 109 112 112 115 103 103 111 109 109 114 72 72 105 111 111 116 74 74 107 118 118 121 109 109 117 120 120 123 30 30 111 117 117 122 80 80 113 62 62 119 82 82 115 88 88 121 55 55 94 128 128 130 12 12 127 11 11 132 127 127 131 9 9 96 8 8 129 134 134 137 127 127 133 136 136 139 129 129 135 133 133 138 102 102 130 135 135 140 104 104 132 142 142 145 133 133 141 144 144 147 135 135 143 141 141 146 110 110 137 30 30 143 112 112 139 118 118 145 23 23 60 63 63 67 67 67 72 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 30 30 30 31 31 31 32 32 32 33 33 33 34 34 34 35 35 35 36 36 36 37 37 37 38 38 38 39 39 39 40 40 40 41 41 41 42 42 42 43 43 43 44 44 44 45 45 45 46 46 46 47 47 47 48 48 48 49 49 49 50 50 50 51 51 51 52 52 52 53 53 53 54 54 54 55 55 55 56 56 56 57 57 57 58 58 58 59 59 59 60 60 60 61 61 61 62 62 62 63 63 63 63 64 64 64 65 65 65 66 66 66 67 67 67 67 67 68 68 68 69 69 69 70 70 70 71 71 71 71 72 72 72 72 73 73 73 74 74 74 75 75 75 75 75 76 76 76 77 77 77 78 78 78 79 79 79 80 80 80 81 81 81 82 82 82 83 83 83 84 84 84 85 85 85 86 86 86 87 87 87 88 88 88 89 89 89 90 90 90 91 91 91 92 92 92 93 93 93 94 94 94 95 95 95 96 96 96 97 97 97 98 98 98 99 99 99 100 100 100 101 101 101 102 102 102 103 103 103 104 104 104 105 105 105 106 106 106 107 107 107 108 108 108 109 109 109 110 110 110 111 111 111 112 112 112 113 113 113 114 114 114 115 115 115 116 116 116 117 117 117 118 118 118 119 119 119 120 120 120 121 121 121 122 122 122 123 123 123 124 124 124 125 125 125 126 126 126 127 127 127 128 128 128 129 129 129 130 130 130 131 131 131 132 132 132 133 133 133 134 134 134 135 135 135 136 136 136 137 137 137 138 138 138 139 139 139 140 140 140 141 141 141 142 142 142 143 143 143 144 144 144 145 145 145 146 146 146 147 147 147 148 148 148 149 149 149 150 150 150 181 181 181 181 181 181 6 68 68 3 64 64 4 99 99 5 70 70 6 66 66 5 32 32 10 14 14 35 132 132 16 131 131 11 18 18 129 176 176 20 128 128 17 22 22 13 42 42 19 24 24 15 44 44 18 26 26 17 177 177 20 28 28 19 178 178 25 29 29 21 50 50 27 150 150 23 52 52 26 161 161 25 179 179 28 162 162 27 180 180 58 163 163 147 164 164 34 38 38 31 100 100 40 99 99 35 42 42 34 97 97 44 96 96 41 46 46 37 68 68 43 48 48 39 70 70 42 50 50 34 41 41 44 52 52 36 43 43 49 54 54 45 76 76 51 56 56 47 78 78 50 58 58 41 49 49 52 60 60 43 51 51 57 61 61 53 84 84 59 126 126 55 86 86 58 165 165 49 57 57 60 166 166 59 150 150 92 167 167 123 168 168 67 72 181 72 63 106 106 69 74 74 65 108 108 68 76 76 181 181 38 67 67 70 78 78 40 69 69 75 80 80 181 71 114 114 181 77 82 82 73 116 116 76 84 84 181 181 67 75 75 78 86 86 69 77 77 83 88 88 79 122 122 85 90 90 81 124 124 84 92 92 75 83 83 86 94 94 77 85 85 91 151 151 87 125 125 93 152 152 81 89 89 92 169 169 83 91 91 94 170 170 93 126 126 98 102 102 95 131 131 100 104 104 99 106 106 33 98 98 97 108 108 105 110 110 101 138 138 107 112 112 103 140 140 106 114 114 98 105 105 108 116 116 100 107 107 113 118 118 109 146 146 115 120 120 111 148 148 114 122 122 105 113 113 116 124 124 107 115 115 121 153 153 117 149 149 123 154 154 111 119 119 122 125 125 113 121 121 119 124 124 115 123 123 121 155 155 94 156 156 130 134 134 127 171 171 132 136 136 131 138 138 96 130 130 129 140 140 137 142 142 133 172 172 139 144 144 135 173 173 138 146 146 130 137 137 140 148 148 132 139 139 145 157 157 141 174 174 147 158 158 143 175 175 146 149 149 137 145 145 143 148 148 139 147 147 145 159 159 60 160 160 71 75 71 72 75 75 119.9955 119.892 120.1123 119.9284 119.9411 120.1303 120.0965 119.9931 119.9104 119.9611 120.0676 119.9711 119.9355 119.9991 120.0654 120.0816 120.0176 119.9007 119.8202 120.1436 120.0357 119.8924 120.1817 119.9228 120.0311 119.7823 120.1865 119.106 118.4218 122.472 121.9277 119.0307 119.0416 118.3566 119.1814 122.4619 119.3021 120.1353 120.5623 120.2456 119.9882 119.7636 119.2491 120.2407 120.51 120.316 119.9274 119.7558 119.9686 117.7377 122.2935 122.0247 118.5407 119.4346 119.9341 117.7273 122.3385 122.1126 118.4987 119.3887 117.7714 119.8851 122.3436 120.4515 120.2654 119.282 117.718 119.9658 122.3163 120.5412 120.1827 119.2749 121.7899 117.9158 120.2942 121.6864 117.9534 120.36 121.7299 117.9368 120.3332 121.7734 117.9246 120.302 122.1093 119.3865 118.504 122.065 118.5184 119.4165 119.8653 120.0198 120.1137 119.8973 120.0556 120.0452 119.9628 120.0006 120.0361 120.0674 119.8281 120.0978 119.9959 119.942 120.0558 119.9118 119.9467 120.1415 119.8609 119.9061 120.2329 119.9944 120.128 119.8774 119.878 120.0351 120.085 120.083 119.951 119.9658 120.1878 119.8745 119.934 119.8728 120.114 120.0096 120.0393 119.8926 120.063 119.883 119.9948 120.1217 120.0031 119.8353 120.1616 119.7943 120.1552 120.0489 119.9139 119.9116 120.1734 119.9894 120.0277 119.98 120.2115 119.8282 119.9592 119.7812 120.3384 119.8795 120.1474 119.8127 120.0381 119.7594 120.2725 119.9656 119.1733 118.5103 122.3161 119.8211 120.0856 120.0929 119.1616 118.3687 122.4696 119.796 120.164 120.0397 121.8549 119.0584 119.0861 118.424 122.4158 119.1601 121.9207 119.0343 119.0449 119.135 118.3889 122.4761 121.9055 118.5949 119.4985 122.0844 119.3995 118.516 119.9834 119.9955 109.3215 120.0089 120.0874 119.8246 120.0822 119.9686 119.9972 120.0342 120.0385 120.0061 119.955 120.062 120.0047 119.9254 115.5623 82.758 119.82 120.0331 120.1448 119.9778 120.0224 119.9996 119.9924 120.0442 119.9634 120.1032 119.9041 119.9808 111.9603 119.9148 119.9789 120.0963 107.548 120.0813 119.8832 120.035 119.8853 120.0131 120.1015 120.0659 120.0722 119.8532 80.0272 118.1218 119.9895 120.1065 119.9021 120.0883 120.0294 119.8823 120.0063 120.1055 119.888 120.1232 119.445 120.4311 119.8992 120.0138 120.0837 120.2116 119.2624 120.5259 119.7538 119.9576 120.2886 120.0663 120.4956 119.4376 120.0683 120.0739 119.8565 120.2166 120.5227 119.2607 119.955 120.2916 119.7533 121.6881 117.9359 120.3754 117.8736 119.9513 122.1748 121.7492 117.9337 120.317 119.9531 122.3224 117.7245 121.6571 120.3935 117.9487 119.9776 122.1684 117.8537 121.7525 120.3136 117.9339 117.7252 119.9504 122.3243 120.0786 120.1098 119.8114 120.0658 119.9325 120.0005 119.956 120.1302 119.9066 119.8373 120.1199 120.0426 120.0419 119.8887 120.0694 120.0023 120.0246 119.9726 120.2095 119.9124 119.877 120.0054 119.8632 120.1312 120.0449 120.0587 119.891 120.1132 119.8816 119.9992 119.8353 120.23 119.9347 120.1149 119.8672 120.0178 119.8807 120.087 120.0321 119.9465 119.9772 120.0763 120.1992 119.9361 119.8634 119.8639 119.7972 120.3389 120.1489 120.0396 119.8104 119.9648 119.756 120.2767 120.0183 120.1183 119.8634 120.1414 120.0456 119.8029 119.9147 120.1726 119.9123 120.0246 119.9843 119.9902 121.8014 119.1064 119.0912 119.1622 118.4513 122.3865 121.9186 119.0447 119.0366 118.3825 122.4762 119.1413 119.2146 122.2639 118.5213 120.0765 120.0834 119.8394 122.4711 118.3709 119.158 120.1603 120.0405 119.7989 121.9122 119.4942 118.5922 122.0887 118.5157 119.3956 119.1025 122.4678 118.4296 121.9279 119.0413 119.0307 119.179 122.4634 118.3574 119.8203 120.039 120.1404 119.9275 120.1852 119.8871 119.7841 120.1821 120.0329 119.9722 122.2807 117.747 122.0131 118.5448 119.4419 119.9384 122.336 117.7255 122.1088 118.4988 119.3924 119.3113 120.5673 120.1212 119.9983 119.7671 120.2346 119.2495 120.5131 120.2365 119.931 119.7534 120.3111 121.7917 120.2931 117.9152 121.6754 117.9544 120.37 121.7352 120.3278 117.937 121.7699 117.9246 120.3055 117.786 122.3388 119.875 120.2692 119.2983 120.432 122.3187 119.9646 117.7167 120.1887 119.2707 120.5391 122.0984 118.5113 119.3901 122.0587 119.422 118.5191 43.5344 49.2824 49.3701 43.0997 41.4251 42.4931 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 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 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 D340 D341 D342 D343 D344 D345 D346 D347 D348 D349 D350 D351 D352 D353 D354 D355 D356 D357 D358 D359 D360 D361 D362 D363 D364 D365 D366 D367 D368 D369 D370 D371 D372 D373 D374 D375 D376 D377 D378 D379 D380 D381 D382 D383 D384 D385 D386 D387 D388 D389 D390 D391 D392 D393 D394 D395 D396 D397 D398 D399 D400 D401 D402 D403 D404 D405 D406 D407 D408 D409 D410 D411 D412 D413 D414 D415 D416 D417 D418 D419 D420 D421 D422 D423 D424 D425 D426 D427 D428 D429 D430 D431 D432 D433 D434 D435 D436 D437 D438 D439 D440 D441 D442 D443 D444 D445 D446 D447 D448 D449 D450 D451 D452 D453 D454 D455 D456 D457 D458 D459 D460 D461 D462 D463 D464 D465 D466 D467 D468 D469 D470 D471 D472 D473 D474 D475 D476 D477 D478 D479 D480 D481 D482 D483 D484 D485 D486 D487 D488 D489 D490 D491 D492 D493 D494 D495 D496 D497 D498 D499 D500 D501 D502 D503 D504 D505 D506 D507 D508 D509 D510 D511 D512 D513 D514 D515 D516 D517 D518 D519 D520 D521 D522 D523 D524 D525 D526 D527 D528 D529 D530 D531 D532 D533 D534 D535 D536 D537 D538 D539 D540 D541 D542 D543 D544 D545 D546 D547 D548 D549 D550 D551 D552 D553 D554 D555 D556 D557 D558 D559 D560 D561 D562 D563 D564 D565 D566 D567 D568 D569 D570 D571 D572 D573 D574 D575 D576 D577 D578 D579 D580 D581 D582 D583 D584 D585 D586 D587 D588 D589 D590 D591 D592 D593 D594 D595 D596 D597 D598 D599 D600 D601 D602 D603 D604 D605 D606 D607 D608 D609 D610 D611 D612 D613 D614 D615 D616 D617 D618 D619 D620 D621 D622 D623 D624 D625 D626 D627 D628 D629 D630 D631 D632 D633 D634 D635 D636 D637 D638 D639 D640 D641 D642 D643 D644 D645 D646 D647 D648 D649 D650 D651 D652 D653 D654 D655 D656 D657 D658 D659 D660 D661 D662 D663 D664 D665 D666 D667 D668 D669 D670 D671 D672 D673 D674 D675 D676 D677 D678 D679 D680 D681 D682 D683 D684 D685 D686 D687 D688 D689 D690 D691 D692 D693 D694 D695 D696 D697 D698 D699 D700 D701 D702 D703 D704 D705 D706 D707 D708 D709 D710 D711 D712 D713 D714 D715 D716 D717 D718 D719 D720 D721 D722 D723 D724 D725 D726 D727 D728 D729 D730 D731 D732 D733 D734 D735 D736 D737 D738 D739 D740 D741 D742 D743 D744 D745 D746 D747 D748 D749 D750 D751 D752 D753 D754 D755 D756 D757 D758 D759 D760 D761 D762 D763 D764 D765 D766 D767 D768 D769 D770 D771 D772 D773 D774 D775 D776 D777 D778 D779 D780 D781 D782 D783 D784 D785 D786 D787 D788 D789 D790 D791 D792 D793 D794 D795 D796 D797 D798 D799 D800 D801 D802 D803 D804 D805 D806 D807 D808 D809 D810 D811 D812 D813 D814 D815 D816 D817 D818 D819 D820 D821 D822 D823 D824 D825 D826 D827 D828 D829 D830 D831 D832 D833 D834 D835 D836 D837 D838 D839 D840 D841 D842 D843 D844 D845 D846 D847 D848 D849 D850 D851 D852 D853 D854 D855 D856 D857 D858 D859 D860 D861 D862 D863 D864 D865 D866 D867 D868 D869 D870 D871 6 6 68 68 2 2 68 68 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112 112 104 104 112 112 104 104 107 107 97 97 103 103 101 101 114 114 101 101 106 106 103 103 116 116 103 103 108 108 113 113 118 118 110 110 118 118 110 110 113 113 101 101 109 109 115 115 120 120 112 112 120 120 112 112 115 115 103 103 111 111 109 109 122 122 109 109 114 114 111 111 124 124 111 111 116 116 121 121 153 153 118 118 153 153 109 109 117 117 123 123 154 154 120 120 154 154 117 117 125 125 117 117 122 122 62 62 119 119 130 130 134 134 128 128 134 134 128 128 130 130 11 11 136 136 11 11 132 132 127 127 138 138 127 127 131 131 8 8 129 129 137 137 142 142 134 134 142 142 134 134 137 137 139 139 144 144 136 136 144 144 136 136 139 139 133 133 146 146 133 133 138 138 135 135 148 148 135 135 140 140 145 145 157 157 142 142 157 157 147 147 158 158 144 144 158 158 141 141 149 149 141 141 146 146 30 30 143 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 11 11 11 11 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 15 15 15 15 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 19 19 19 19 19 19 19 19 21 21 21 21 21 21 21 21 21 21 21 21 22 22 22 22 23 23 23 23 23 23 23 23 23 23 23 23 24 24 24 24 25 25 25 25 27 27 27 27 29 29 29 29 30 30 30 30 30 30 30 30 31 31 31 31 31 31 31 31 31 31 31 31 32 32 32 32 33 33 33 33 33 33 33 33 33 33 33 33 34 34 34 34 34 34 34 34 35 35 35 35 36 36 36 36 36 36 36 36 37 37 37 37 37 37 37 37 37 37 37 37 38 38 38 38 39 39 39 39 39 39 39 39 39 39 39 39 40 40 40 40 41 41 41 41 41 41 41 41 43 43 43 43 43 43 43 43 45 45 45 45 45 45 45 45 45 45 45 45 46 46 46 46 47 47 47 47 47 47 47 47 47 47 47 47 48 48 48 48 49 49 49 49 49 49 49 49 51 51 51 51 51 51 51 51 53 53 53 53 53 53 53 53 53 53 53 53 54 54 54 54 55 55 55 55 55 55 55 55 55 55 55 55 56 56 56 56 57 57 57 57 59 59 59 59 60 60 60 60 61 61 61 61 62 62 62 62 62 62 62 62 63 63 63 63 63 63 63 63 63 63 63 63 63 63 63 63 64 64 64 64 65 65 65 65 65 65 65 65 65 65 65 65 66 66 66 66 67 67 67 67 67 67 67 67 67 67 67 67 67 67 67 67 67 67 69 69 69 69 69 69 69 69 71 71 71 71 71 71 71 71 71 71 71 71 71 71 71 71 72 72 72 72 72 72 72 72 73 73 73 73 73 73 73 73 73 73 73 73 74 74 74 74 75 75 75 75 75 75 75 75 75 75 75 75 75 75 75 75 75 75 77 77 77 77 77 77 77 77 79 79 79 79 79 79 79 79 79 79 79 79 80 80 80 80 81 81 81 81 81 81 81 81 81 81 81 81 82 82 82 82 83 83 83 83 83 83 83 83 85 85 85 85 85 85 85 85 87 87 87 87 87 87 87 87 88 88 88 88 89 89 89 89 89 89 89 89 91 91 91 91 93 93 93 93 94 94 94 94 95 95 95 95 95 95 95 95 95 95 95 95 96 96 96 96 97 97 97 97 97 97 97 97 98 98 98 98 98 98 98 98 100 100 100 100 101 101 101 101 101 101 101 101 101 101 101 101 102 102 102 102 103 103 103 103 103 103 103 103 103 103 103 103 104 104 104 104 105 105 105 105 105 105 105 105 107 107 107 107 107 107 107 107 109 109 109 109 109 109 109 109 109 109 109 109 110 110 110 110 111 111 111 111 111 111 111 111 111 111 111 111 112 112 112 112 113 113 113 113 113 113 113 113 115 115 115 115 115 115 115 115 117 117 117 117 117 117 117 117 118 118 118 118 119 119 119 119 119 119 119 119 121 121 121 121 121 121 121 121 123 123 123 123 127 127 127 127 127 127 127 127 127 127 127 127 129 129 129 129 129 129 129 129 130 130 130 130 130 130 130 130 132 132 132 132 133 133 133 133 133 133 133 133 133 133 133 133 135 135 135 135 135 135 135 135 135 135 135 135 137 137 137 137 137 137 137 137 139 139 139 139 139 139 139 139 141 141 141 141 141 141 141 141 143 143 143 143 143 143 143 143 145 145 145 145 145 145 145 145 147 147 147 2 2 2 2 6 6 6 6 68 68 68 68 3 3 3 3 64 64 64 64 4 4 4 4 99 99 99 99 5 5 5 5 70 70 70 70 6 6 6 6 66 66 66 66 32 32 32 32 8 8 8 8 10 10 10 10 14 14 14 14 35 35 35 35 132 132 132 132 12 12 12 12 16 16 16 16 131 131 131 131 11 11 11 11 18 18 18 18 129 129 129 129 20 20 20 20 128 128 128 128 14 14 14 14 17 17 17 17 22 22 22 22 42 42 42 42 16 16 16 16 19 19 19 19 24 24 24 24 44 44 44 44 18 18 18 18 26 26 26 26 20 20 20 20 28 28 28 28 22 22 22 22 25 25 25 25 29 29 29 29 50 50 50 50 24 24 24 24 27 27 27 27 150 150 150 150 52 52 52 52 26 26 26 26 28 28 28 28 58 58 58 58 120 120 120 120 147 147 147 147 32 32 32 32 34 34 34 34 38 38 38 38 100 100 100 100 36 36 36 36 40 40 40 40 99 99 99 99 35 35 35 35 42 42 42 42 97 97 97 97 44 44 44 44 96 96 96 96 38 38 38 38 41 41 41 41 46 46 46 46 68 68 68 68 40 40 40 40 43 43 43 43 48 48 48 48 70 70 70 70 42 42 42 42 50 50 50 50 44 44 44 44 52 52 52 52 46 46 46 46 49 49 49 49 54 54 54 54 76 76 76 76 48 48 48 48 51 51 51 51 56 56 56 56 78 78 78 78 50 50 50 50 58 58 58 58 52 52 52 52 60 60 60 60 54 54 54 54 57 57 57 57 61 61 61 61 84 84 84 84 56 56 56 56 59 59 59 59 126 126 126 126 86 86 86 86 58 58 58 58 60 60 60 60 150 150 150 150 92 92 92 92 90 90 90 90 123 123 123 123 64 64 64 64 64 64 67 67 67 67 72 72 72 72 181 181 106 106 106 106 66 66 66 66 69 69 69 69 74 74 74 74 108 108 108 108 68 68 68 68 68 68 76 76 76 76 76 76 181 181 181 181 181 181 70 70 70 70 78 78 78 78 72 72 72 72 75 75 75 75 80 80 80 80 80 80 181 181 114 114 114 114 114 114 181 181 74 74 74 74 77 77 77 77 82 82 82 82 116 116 116 116 76 76 76 76 76 76 84 84 84 84 84 84 181 181 181 181 181 181 78 78 78 78 86 86 86 86 80 80 80 80 83 83 83 83 88 88 88 88 122 122 122 122 82 82 82 82 85 85 85 85 90 90 90 90 124 124 124 124 84 84 84 84 92 92 92 92 86 86 86 86 94 94 94 94 88 88 88 88 91 91 91 91 125 125 125 125 90 90 90 90 93 93 93 93 92 92 92 92 94 94 94 94 126 126 126 126 96 96 96 96 98 98 98 98 102 102 102 102 131 131 131 131 100 100 100 100 104 104 104 104 99 99 99 99 106 106 106 106 108 108 108 108 102 102 102 102 105 105 105 105 110 110 110 110 138 138 138 138 104 104 104 104 107 107 107 107 112 112 112 112 140 140 140 140 106 106 106 106 114 114 114 114 108 108 108 108 116 116 116 116 110 110 110 110 113 113 113 113 118 118 118 118 146 146 146 146 112 112 112 112 115 115 115 115 120 120 120 120 148 148 148 148 114 114 114 114 122 122 122 122 116 116 116 116 124 124 124 124 118 118 118 118 121 121 121 121 149 149 149 149 120 120 120 120 123 123 123 123 122 122 122 122 125 125 125 125 124 124 124 124 128 128 128 128 130 130 130 130 134 134 134 134 132 132 132 132 136 136 136 136 131 131 131 131 138 138 138 138 140 140 140 140 134 134 134 134 137 137 137 137 142 142 142 142 136 136 136 136 139 139 139 139 144 144 144 144 138 138 138 138 146 146 146 146 140 140 140 140 148 148 148 148 142 142 142 142 145 145 145 145 144 144 144 144 147 147 147 147 146 146 146 146 149 149 149 149 148 148 148 3 64 3 64 5 32 5 32 38 67 38 67 4 99 4 99 63 106 63 106 5 70 5 70 33 98 33 98 6 66 6 66 40 69 40 69 1 32 1 32 65 108 65 108 31 100 31 100 35 132 35 132 11 18 11 18 13 42 13 42 34 97 34 97 129 140 129 140 20 128 20 128 15 44 15 44 96 130 96 130 129 176 129 176 17 177 17 177 132 136 132 136 19 178 19 178 127 171 127 171 7 42 7 42 18 26 18 26 21 50 21 50 34 41 34 41 9 44 9 44 20 28 20 28 23 52 23 52 36 43 36 43 10 177 10 177 25 179 25 179 12 178 12 178 27 180 27 180 13 50 13 50 26 161 26 161 58 163 58 163 41 49 41 49 15 52 15 52 28 162 28 162 60 160 60 160 43 51 43 51 17 179 17 179 19 180 19 180 49 57 49 57 111 119 111 119 143 148 143 148 6 100 6 100 35 42 35 42 37 68 37 68 97 108 97 108 44 96 44 96 39 70 39 70 3 98 3 98 8 97 8 97 14 41 14 41 100 104 100 104 16 43 16 43 95 131 95 131 31 68 31 68 42 50 42 50 45 76 45 76 1 67 1 67 33 70 33 70 44 52 44 52 47 78 47 78 4 69 4 69 14 34 14 34 22 49 22 49 16 36 16 36 24 51 24 51 37 76 37 76 50 58 50 58 53 84 53 84 67 75 67 75 39 78 39 78 52 60 52 60 55 86 55 86 69 77 69 77 22 41 22 41 29 57 29 57 24 43 24 43 59 150 59 150 45 84 45 84 58 165 58 165 92 167 92 167 75 83 75 83 47 86 47 86 60 166 60 166 94 156 94 156 77 85 77 85 29 49 29 49 51 150 51 150 23 160 23 160 83 91 83 91 81 89 81 89 119 124 119 124 2 106 2 106 2 106 68 76 68 76 71 114 71 114 71 75 98 105 98 105 5 108 5 108 70 78 70 78 73 116 73 116 100 107 100 107 1 38 1 38 1 38 46 75 46 75 46 75 71 72 75 71 72 75 4 40 4 40 48 77 48 77 63 114 63 114 76 84 76 84 79 122 79 122 79 122 63 67 105 113 105 113 105 113 67 75 65 116 65 116 78 86 78 86 81 124 81 124 107 115 107 115 46 67 46 67 46 67 54 83 54 83 54 83 63 67 72 63 67 72 48 69 48 69 56 85 56 85 71 122 71 122 84 92 84 92 87 125 87 125 113 121 113 121 73 124 73 124 86 94 86 94 62 89 62 89 115 123 115 123 54 75 54 75 61 91 61 91 56 77 56 77 93 126 93 126 79 125 79 125 92 169 92 169 121 155 121 155 62 81 62 81 94 170 94 170 61 83 61 83 85 126 85 126 55 156 55 156 36 131 36 131 99 106 99 106 101 138 101 138 9 130 9 130 32 108 32 108 103 140 103 140 3 33 3 33 64 105 64 105 66 107 66 107 95 138 95 138 106 114 106 114 109 146 109 146 130 137 130 137 97 140 97 140 108 116 108 116 111 148 111 148 132 139 132 139 64 98 64 98 72 113 72 113 66 100 66 100 74 115 74 115 101 146 101 146 114 122 114 122 117 149 117 149 137 145 137 145 103 148 103 148 116 124 116 124 30 119 30 119 139 147 139 147 72 105 72 105 80 121 80 121 74 107 74 107 82 123 82 123 109 149 109 149 122 125 122 125 145 159 145 159 30 111 30 111 62 124 62 124 80 113 80 113 88 155 88 155 82 115 82 115 12 171 12 171 131 138 131 138 133 172 133 172 8 140 8 140 135 173 135 173 9 96 9 96 102 137 102 137 104 139 104 139 127 172 127 172 138 146 138 146 141 174 141 174 129 173 129 173 140 148 140 148 143 175 143 175 102 130 102 130 110 145 110 145 104 132 104 132 112 147 112 147 133 174 133 174 146 149 146 149 135 175 135 175 30 148 30 148 110 137 110 137 118 159 118 159 112 139 112 -0.1695 179.9948 179.6783 -0.1574 -0.14 179.7956 -179.9875 -0.0519 -179.2197 0.2387 0.6279 -179.9137 0.416 -179.5011 -179.7487 0.3342 -0.1437 178.9795 -179.979 -0.8559 -0.3525 179.8222 179.5647 -0.2606 -179.8446 0.2242 0.2381 -179.693 0.0426 179.9833 179.868 -0.1913 0.0865 -179.8653 -179.7387 0.3095 0.2035 -179.7322 -179.7372 0.3271 0.0355 179.784 179.9762 -0.2753 -0.5156 179.9705 179.4201 -0.0937 -179.6882 -0.3286 0.548 179.9076 0.0834 179.9473 179.8475 -0.2886 -179.7697 -0.3543 0.467 179.8824 -0.9093 -179.9917 179.7294 0.647 0.4426 -179.8843 179.8021 -0.5249 0.0805 -179.8442 179.9925 0.0678 0.0766 179.7585 -179.8351 -0.1532 179.8875 0.0211 -0.2006 179.933 0.0464 179.9848 -179.8117 0.1267 0.0208 -179.869 179.8799 -0.0099 0.0673 179.9217 -179.8711 -0.0166 -0.0918 179.971 179.8303 -0.107 -0.0139 179.8652 -179.9354 -0.0563 -0.3729 -179.7896 179.8047 0.388 0.1051 179.9726 179.9268 -0.2057 -179.8248 -0.2083 0.355 179.9715 0.5162 179.8259 179.9344 -0.7559 -0.2221 -179.9045 179.9275 0.2451 0.2119 -179.895 -179.9381 -0.045 179.9824 -0.4093 0.1339 179.7422 0.2762 -179.9673 179.9599 -0.2836 0.0706 179.9594 -179.7907 0.0981 -0.0117 -179.8822 179.8526 -0.0179 -0.0545 179.8822 -179.9424 -0.0057 -0.0083 -179.9674 179.882 -0.0771 -0.2823 -179.9026 179.6521 0.0318 0.0663 179.9861 -179.8665 0.0533 0.0663 -179.7863 179.9976 0.1451 0.3907 -179.9551 -179.9883 -0.3341 -0.165 -179.7768 179.8255 0.2137 0.1132 -179.965 -179.8771 0.0447 -0.0991 -179.9725 179.8909 0.0175 0.6078 -179.9549 -179.779 -0.3417 0.0785 179.9459 -179.8394 0.028 -0.028 179.9302 -179.9479 0.0103 0.1344 -179.7824 179.9882 0.0714 -0.0895 179.8943 -179.9727 0.0111 -179.9098 0.1033 -0.0276 179.9855 -179.8918 -0.3779 0.5064 -179.9797 0.4905 179.5465 -179.9081 -0.8521 -179.7525 0.0706 0.6467 -179.5301 -179.9219 -0.1918 0.5649 -179.705 0.2965 -179.8004 -179.9599 -0.0567 -0.2209 179.6107 -179.9645 -0.1329 -179.7849 0.1462 -0.0414 179.8897 -179.8723 -0.7909 1.0743 -179.8443 -179.9348 0.7548 -0.8791 179.8105 -179.9415 -0.9155 0.9766 -179.9974 179.8589 0.1027 -0.0441 -179.8002 0.1804 179.7875 -179.9166 -0.3096 -0.3396 179.8369 179.7762 -0.0474 0.2436 179.544 -179.8726 -0.5721 -179.3649 0.1827 0.7513 -179.7011 -0.6372 179.905 179.1861 -0.2717 -0.2518 179.9166 -179.7541 0.4143 0.6511 179.8348 -179.8469 -0.6632 -179.9465 -0.5756 0.5524 179.9232 0.1105 -179.9377 179.9423 -0.1059 -179.7597 -0.4509 0.9403 -179.7509 179.9411 0.2853 -0.7567 179.5875 179.6676 -0.5766 0.4852 -179.7589 -179.8298 0.7312 -0.6463 179.9147 -0.6479 179.8039 179.3323 -0.2158 0.3649 179.9888 -179.6153 0.0086 -179.7462 0.0051 0.234 179.9853 0.0005 -179.5049 179.547 0.0416 -0.5116 -179.8828 179.8686 0.4974 0.5814 -179.9024 -179.7998 -0.2836 179.8137 -0.3871 0.1949 179.9941 0.4281 -179.7007 179.799 -0.3298 -179.8383 -0.1845 0.5383 -179.8079 179.9412 -0.1392 -0.4339 179.4857 179.8707 -0.6932 0.3557 179.7918 0.2494 -179.7509 179.7661 -0.2342 -0.3452 179.9035 179.4917 -0.2596 0.2171 179.94 -179.6133 0.1096 -0.1452 -179.7544 179.6863 0.0771 0.3798 -179.1977 -179.8695 0.5529 -0.0724 -179.8718 179.8865 0.0871 0.0416 179.9322 -179.9156 -0.025 -0.0902 179.9829 179.8673 -0.0596 0.1103 -179.8064 179.909 -0.0078 179.9407 0.0245 0.2178 -179.6984 -0.1298 179.8705 179.9795 -0.0202 0.1088 179.9833 -179.8915 -0.017 0.252 -179.5505 179.8578 0.0552 -0.0351 179.9187 -179.953 0.0009 -179.8673 0.088 0.0512 -179.9935 0.3634 -178.7574 179.0933 -0.0276 95.0333 -84.0875 -0.2821 178.6994 -179.0118 -0.0303 -178.8441 0.0052 -0.1146 178.7347 148.2096 -179.9592 0.8194 -179.035 179.9426 0.0882 0.0029 -179.7457 -179.9718 0.2795 0.1152 179.9335 -179.9101 -0.0918 179.8655 -0.0593 -0.1092 179.966 -0.0105 -179.9761 179.7382 -0.2274 -0.0193 179.4373 -179.0016 0.455 -82.4505 97.0061 -179.3021 0.2044 -0.3192 179.1872 -115.7061 63.8004 -179.7547 146.5676 -148.2659 -59.9748 -93.6526 -28.4861 -0.2711 179.777 179.9105 -0.0413 -179.9378 0.1907 -0.1196 -179.9911 0.0848 -178.7631 178.8311 -0.0168 0.0896 179.0161 -178.6557 0.2708 -179.1951 0.1461 -0.4473 178.894 -97.0482 82.293 -147.2963 179.9297 -0.0437 -178.8828 178.8035 -0.0357 87.5757 -91.2635 -148.5788 148.6846 0.2118 -179.8635 179.9613 -0.114 -0.1129 179.8746 -179.8621 0.1254 -179.9618 0.1183 -0.2121 179.8679 -0.2133 -179.87 179.8621 0.2053 179.2716 -0.2343 0.3427 -179.1632 117.1429 -62.363 -179.4822 0.0963 -0.5534 179.0251 -95.161 84.4175 61.156 28.5557 95.1869 179.7823 147.182 -146.1869 -179.9597 -0.0884 0.0528 179.9241 -179.9293 -0.0121 0.0582 179.9754 0.2563 -179.0845 179.9597 0.6189 0.1111 179.8445 -179.5894 0.1441 179.9828 -0.2296 -0.3148 179.4729 -0.2236 -179.9191 179.1164 -0.5791 0.1861 -179.8942 -179.9467 -0.0271 -0.0733 179.9001 -179.9388 0.0346 0.0035 -179.9524 179.8703 -0.0857 -0.216 -179.9992 179.8645 0.0813 179.2907 -0.2877 -0.4455 179.976 -179.6895 0.1214 0.0455 179.8565 179.9026 -0.0143 -0.0711 -179.988 0.0335 -179.904 -179.9928 0.0697 0.2239 -179.5587 179.9445 0.1619 0.0429 179.732 -179.6709 0.0181 -0.2067 -179.7716 179.5715 0.0066 -179.8845 0.0704 0.0648 -179.9803 -0.0023 179.9505 -179.9505 0.0024 179.5887 -0.2179 -0.1077 -179.9143 -0.0504 179.8855 179.9957 -0.0684 0.012 179.9382 -179.9226 0.0037 -0.3935 179.9997 179.7204 0.1136 0.4818 -179.6846 -179.6318 0.2018 179.9015 -0.2131 0.0152 179.9005 0.4325 -179.7008 -179.9602 -0.0935 -0.8636 179.4062 -179.8918 0.378 -179.8301 1.0619 -0.8036 -179.9116 179.573 -0.3581 -0.2606 179.8082 179.904 -0.2418 -0.2628 179.5914 0.2438 -179.7907 179.9739 -0.0605 -0.1924 179.9226 179.4274 -0.4576 0.1526 -179.8017 -179.4674 0.5783 -179.6372 0.4154 -0.0161 -179.9635 0.2923 -179.6766 -179.8225 0.2086 0.9079 -179.9852 -179.9433 -0.8364 -0.5881 179.5859 -179.7384 0.4357 -179.7669 0.8025 -0.6167 179.9526 -0.9365 179.8356 179.9545 0.7266 179.9192 0.0646 -0.1264 -179.981 -179.9414 -1.0994 0.1044 178.9464 -179.8711 0.1634 -0.045 179.9894 -179.9088 -0.2521 0.2655 179.9222 -0.0165 179.9306 179.5666 -0.4863 -0.5065 179.4423 179.9101 -0.1411 -179.4151 0.4936 0.1694 -179.9218 -0.1243 -179.8799 179.9286 0.173 0.6174 -179.9549 -179.7786 -0.3509 -0.4332 179.777 179.962 0.1721 0.2107 -179.7737 179.816 -0.1684 -0.6614 179.7894 179.9098 0.3605 179.9075 1.0643 -0.0415 -178.8846 -179.778 -0.0817 0.1709 179.8672 179.9076 0.2507 -0.302 -179.9589 -179.9031 -0.1193 0.3071 -179.9092 0.0286 -179.8764 179.6756 -0.2293 -0.2504 179.5658 -179.8975 -0.0813 -0.196 179.9848 179.7096 -0.1095 -179.8686 0.115 0.0198 -179.9965 179.8924 -0.0625 0.004 -179.951 179.9717 0.2755 0.1486 -179.5477 -179.5703 -0.0017 0.2472 179.8158 -0.1097 -179.8937 179.8471 0.0631 -0.1267 179.9942 179.7983 -0.0808 0.214 -179.9877 -179.714 0.0842 -179.8934 -0.0609 0.0321 179.8646 -0.3113 -179.9848 179.8283 0.1547 -179.8255 0.1357 0.0301 179.9913 -0.1624 179.9712 -179.9604 0.1731 179.9292 -0.102 -0.2732 179.6956 0.672 179.8956 -179.6558 -0.4322 -0.1287 -179.9597 179.7608 -0.0703 0.1088 -180.0003 -179.7856 0.1054 -179.8183 0.0195 0.0735 179.9113 0.0595 -179.9015 179.9279 -0.0331 -0.3328 179.997 179.7928 0.1226 -179.8848 0.0747 -0.0136 179.9458 179.9751 0.0062 0.0837 -179.8852 179.9849 -0.2623 -0.125 179.6278 179.7428 0.5178 -0.5861 -179.8111 -179.7765 -0.233 0.5566 -179.8999 -0.0931 -179.9269 179.8088 -0.0251 -0.0626 179.8004 -179.9666 -0.1036 0.0153 -179.9432 179.9429 -0.0156 179.8928 -0.12 -0.0365 179.9507 179.9946 0.2395 0.1281 -179.627 -179.9748 -0.1572 -0.1146 179.703 -0.2371 -179.7847 179.7754 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 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 = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 Grimme-D3(BJ) -0.4159405150 C150H30Cl(1-) C1 1 C1 1 C1 1 0.0087819 0.0086612 0.0043831 C150H30Cl(1-) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1837.058000000004 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0.0087822 0.0086623 0.0043834 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 5285 5185 5195 5255 5285 MxSgAt= 181 MxSgA2= 181. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 5334 RedAO= T EigKep= 1.01D-06 NBF= 5334 NBsUse= 5095 1.00D-06 EigRej= 9.88D-07 NBFU= 5095 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 5285 5274 5274 5274 5285 MxSgAt= 181 MxSgA2= 181. 1 4.13108738e+00 -1.11328307e-02 -3.68112012e+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 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 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-0.000042992 0.000004163 0.000002370 0.000076449 0.000005481 -0.000001791 0.000151838 0.000000153 0.000007989 0.000001068 0.000002323 -0.000001231 0.000002272 -0.000000092 -0.000004255 -0.000006781 -0.000000425 0.000002489 0.000002137 -0.000007217 -0.000021598 -0.000018056 0.000012984 0.000004856 0.000052678 -0.000000003 -0.000001263 0.000055290 0.000005227 -0.000000985 -0.000157190 0.000003127 -0.000002128 0.000000757 -0.000000182 0.000003803 0.000000848 0.000001492 -0.000003540 0.000001336 -0.000000758 0.000000301 -0.000000142 -0.000002565 -0.000005637 -0.000001807 -0.000006423 0.000024886 0.000012739 -0.000002364 0.000003605 0.000003248 -0.000000038 -0.000000240 -0.000037113 0.000005636 0.000009570 0.000002814 -0.000004727 -0.000001263 0.000001645 -0.000001169 0.000001142 0.000000046 0.000001295 -0.000000434 -0.000000335 -0.000000098 -0.000001746 -0.000000668 0.000000224 -0.000000276 -0.000000454 -0.000000566 -0.000002155 0.000000250 0.000002446 0.000000406 -0.000000332 -0.000001606 0.000002220 -0.000000762 0.000000527 -0.000001386 -0.000000650 -0.000003116 0.000001934 -0.000001007 0.000001819 0.000000929 -0.000000892 -0.000000381 -0.000001323 -0.000001149 0.000001382 0.000001218 -0.000000428 0.000000138 -0.000002000 -0.000000802 0.000000376 -0.000000995 -0.000000929 -0.000005241 -0.000000018 -0.000000009 0.000002502 0.000000504 -0.000000227 -0.000004607 -0.000001054 0.000000681 0.000000740 0.000000042 -0.000000243 -0.000000922 0.000000520 0.000000634 0.000001720 -0.000000207 -0.000000342 0.000000065 0.000001522 -0.000000559 -0.000000364 0.000001270 -0.000000934 0.000000460 -0.000001992 -0.000000011 -0.000000940 0.000001030 -0.000000668 0.000000586 -0.000001851 -0.000000503 0.000000240 -0.000001522 0.000000368 -0.000000491 -0.000001769 -0.000000305 0.000000171 0.000001404 0.000000022 -0.000001230 -0.000001998 -0.000000901 0.000000690 0.000001375 -0.000000336 -0.000084507 -0.000105624 0.000009199 0.000307140 0.000033485 (Enter /prod/precompiled/gaussian/16c2/g16/l716.exe) Closed 1 1 1 -6187.38206428054 -6187.38210850787 -0.000044227323 -6187.38211015487 -0.000001647008 -6187.38211021314 -0.000000058266 -6187.38211029053 -0.000000077387 -6187.38211030092 -0.000000010397 -6187.38211030143 -0.000000000509 -6187.38211029814 0.000000003296 -6187.38211030332 -0.000000005180 -6187.38211029860 0.000000004715 -6187.38211030266 -0.000000004053 -6187.38211030 11 6.165647729583e+03 -7.880747213530e+04 3.427819690254e+04 Using DIIS extrapolation, IDIIS= 1040. NGot= 16642998272 LenX= 16568305491 LenY= 16531174749 Requested convergence on RMS density matrix=1.00D-08 within 32 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 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C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 7 3PX 8 3PY 9 3PZ 10 4S 11 4PX 12 4PY 13 4PZ 14 5S 15 5PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 7 3PX 8 3PY 9 3PZ 10 4S 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 7 3PX 8 3PY 9 3PZ 10 4S 11 4PX 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 7 3PX 8 3PY 9 3PZ 10 4S 11 4PX 12 4PY 13 4PZ 14 5S 15 5PX 16 5PY 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 7 3PX 8 3PY 9 3PZ 10 4S 11 4PX 12 4PY 13 4PZ 14 5S 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 7 3PX 8 3PY 9 3PZ 10 4S 11 4PX 12 4PY 13 4PZ 14 5S 15 5PX 16 5PY 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 7 3PX 8 3PY 9 3PZ 10 4S 11 4PX 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 7 3PX 8 3PY 9 3PZ 10 4S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 7 3PX 8 3PY 9 3PZ 10 4S 11 4PX 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 7 3PX 8 3PY 9 3PZ 10 4S 11 4PX 12 4PY 13 4PZ 14 5S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 7 3PX 8 3PY 9 3PZ 10 4S 11 4PX 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 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2S 3 2PX 4 2PY 5 2PZ 6 3S 7 3PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 7 3PX 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 7 3PX 8 3PY 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 7 3PX 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 7 3PX 8 3PY 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 7 3PX 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 3 2PX 4 2PY 5 2PZ 6 3S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 3 2PX 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 C 1S 2 2S 3 2PX 4 2PY 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 1 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX 1.10377 0.88595 0.23113 0.23211 0.16487 0.71149 0.51563 0.51687 0.43264 0.50345 0.12268 0.10663 0.31965 -0.00970 0.01656 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H Cl -0.043257 -0.077076 0.035278 -0.005382 0.018151 0.037040 0.134154 -0.174028 0.120419 0.440846 -0.578770 0.428881 0.075556 -0.088970 0.086181 -0.132185 0.326003 -0.380593 0.318255 -0.371641 0.305578 0.133123 0.323859 0.103771 -0.170117 -0.204621 -0.207700 -0.220771 -0.369265 -0.374387 -0.020037 0.007645 -0.029319 0.075956 -0.133092 0.030963 -0.021713 -0.069405 0.018775 0.010141 0.033073 -0.091587 -0.011834 -0.042504 -0.208757 -0.100421 -0.181113 -0.077146 0.155888 -0.175525 0.146238 -0.147608 0.407428 0.145668 0.407335 0.135378 -0.584518 0.401488 -0.586187 0.426703 -0.384778 -0.368052 0.096494 -0.026379 0.004091 -0.009580 0.142264 -0.016329 0.008933 -0.030402 0.087809 0.206402 -0.016075 0.045661 0.073355 0.180013 -0.019547 0.028027 0.081061 -0.155528 0.101208 -0.125465 0.110455 -0.180030 0.093406 -0.136322 -0.210402 0.337031 -0.212239 0.301017 -0.199254 0.314355 -0.214622 0.301903 0.059078 -0.059876 0.083812 -0.026194 0.033243 -0.051410 -0.042841 -0.002115 -0.018391 -0.079051 0.019481 -0.054812 0.011556 -0.005107 0.151929 -0.084415 0.129721 -0.154800 -0.243080 -0.073940 -0.168292 -0.079628 -0.579182 0.418551 -0.592389 0.427977 0.425749 0.117022 0.403662 0.121177 -0.381284 -0.362887 0.440779 -0.586142 0.425270 0.115502 -0.184995 0.144716 0.323134 -0.383676 0.314078 -0.365638 0.086606 -0.137936 0.086945 -0.112167 -0.197388 -0.206561 -0.188906 -0.210010 0.303946 0.084864 0.306904 0.115092 -0.365742 -0.369492 0.102010 0.104838 0.018600 0.021379 0.019309 0.022855 0.104518 0.104684 0.021392 0.023209 0.104773 0.104026 0.021867 0.022937 0.019723 0.021425 0.019143 0.022992 0.101870 0.105028 0.019517 0.020783 0.023681 0.102614 0.104548 0.019557 0.021711 0.022712 0.102988 0.104848 -1.030712 -1.00000 4.10735876e+00 -1.20708019e-02 -3.67908909e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 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