Orca 5.0.2 RELEASE 1 2 3 4 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 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 O O O N 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 1 1 1 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 350.26169999999973 AuxInfo=1/0/N:13,14,8,9,28,26,27,21,19,24,25,22,10,18,17,12,16,23,20,6,15,7,11,5,4,2,3,1/E:(1,2)(3,4)(6,7)(10,11)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.2,16.3,17.3,18.3,19.3,23.3,25.1,26.1/rA:53nOO1ON1CCCCCC3C3C3CCCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5s6;s5;s5;s6;s1s2s7;s10;s12;s12;s1;s15;s4s15;s16;s16;s3s18;s19;s20s21;s3;s23;s23;s24;s25;s26s27;s6;s7;s8;s8;s8;s9;s9;s9;s10;s13;s13;s13;s14;s14;s14;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-1.247,1.7052,-1.1294;-.9991,1.5362,1.0827;-1.0521,-3.2891,-.2949;-3.9688,3.0136,.4388;1.6422,3.1473,.5928;1.9912,1.6975,.5952;.8625,2.1818,-.2936;1.0182,3.759,1.8216;2.5263,4.1107,-.1616;3.2708,1.2044,.0256;-.5165,1.7799,.0066;3.4411,.3331,-.9721;2.3274,-.3246,-1.7275;4.8151,-.0588,-1.4247;-2.6027,1.3262,-1.0234;-2.8302,-.1078,-.5779;-3.3423,2.2724,-.1755;-1.8062,-1.0383,-.6594;-4.0919,-.4992,-.1437;-2.0344,-2.3427,-.2401;-4.315,-1.8151,.2284;-3.2853,-2.7425,.2013;.2005,-3.0256,.1872;1.2358,-3.7758,-.3557;.4503,-2.1071,1.2013;2.5278,-3.6059,.1186;1.7514,-1.9417,1.6568;2.7949,-2.6841,1.1218;1.6532,1.1674,1.4842;1.0824,2.2608,-1.3516;.4518,3.0483,2.4181;1.8064,4.1626,2.4608;.3553,4.5861,1.5597;1.9574,4.9891,-.4726;3.3455,4.4576,.4718;2.9647,3.6662,-1.0553;4.1609,1.6024,.5075;1.3636,-.2506,-1.2306;2.225,.1108,-2.726;2.5445,-1.3841,-1.8775;4.982,-1.129,-1.2746;4.943,.1255,-2.4948;5.5979,.4829,-.8937;-2.9983,1.4486,-2.0363;-.8287,-.7667,-1.0363;-4.9061,.2129,-.0911;-5.2983,-2.1172,.5636;-3.4493,-3.7644,.5183;1.0265,-4.4916,-1.1408;-.3481,-1.5255,1.6441;3.3299,-4.1953,-.3068;1.9441,-1.227,2.4467;3.8048,-2.547,1.4852; Method DFT(GTOs) Exchange WB97X-D3 Correlation WB97X-D3 PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.195728 ScalDFX 0.000000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on Amount of maximum screened exact exchange 0.804272 Range separation parameter mu (erf(mu*r12)/r12) 0.250000 RI-approximation to the Coulomb term is turned on functions 1647 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 200 Dim 1218 ENuc 2649.0467687416 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 1 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 5.314e-06 Time for diagonalization 0.649 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.683 sec Total time needed 1.347 sec 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.26169999999973 AuxInfo=1/0/N:13,14,8,9,28,26,27,21,19,24,25,22,10,18,17,12,16,23,20,6,15,7,11,5,4,2,3,1/E:(1,2)(3,4)(6,7)(10,11)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.2,16.3,17.3,18.3,19.3,23.3,25.1,26.1/rA:53nOO1ON1CCCCCC3C3C3CCCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5s6;s5;s5;s6;s1s2s7;s10;s12;s12;s1;s15;s4s15;s16;s16;s3s18;s19;s20s21;s3;s23;s23;s24;s25;s26s27;s6;s7;s8;s8;s8;s9;s9;s9;s10;s13;s13;s13;s14;s14;s14;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-1.247,1.7052,-1.1294;-.9991,1.5362,1.0827;-1.0521,-3.2891,-.2949;-3.9688,3.0136,.4388;1.6422,3.1473,.5928;1.9912,1.6975,.5952;.8625,2.1818,-.2936;1.0182,3.759,1.8216;2.5263,4.1107,-.1616;3.2708,1.2044,.0256;-.5165,1.7799,.0066;3.4411,.3331,-.9721;2.3274,-.3246,-1.7275;4.8151,-.0588,-1.4247;-2.6027,1.3262,-1.0234;-2.8302,-.1078,-.5779;-3.3423,2.2724,-.1755;-1.8062,-1.0383,-.6594;-4.0919,-.4992,-.1437;-2.0344,-2.3427,-.2401;-4.315,-1.8151,.2284;-3.2853,-2.7425,.2013;.2005,-3.0256,.1872;1.2358,-3.7758,-.3557;.4503,-2.1071,1.2013;2.5278,-3.6059,.1186;1.7514,-1.9417,1.6568;2.7949,-2.6841,1.1218;1.6532,1.1674,1.4842;1.0824,2.2608,-1.3516;.4518,3.0483,2.4181;1.8064,4.1626,2.4608;.3553,4.5861,1.5597;1.9574,4.9891,-.4726;3.3455,4.4576,.4718;2.9647,3.6662,-1.0553;4.1609,1.6024,.5075;1.3636,-.2506,-1.2306;2.225,.1108,-2.726;2.5445,-1.3841,-1.8775;4.982,-1.129,-1.2746;4.943,.1255,-2.4948;5.5979,.4829,-.8937;-2.9983,1.4486,-2.0363;-.8287,-.7667,-1.0363;-4.9061,.2129,-.0911;-5.2983,-2.1172,.5636;-3.4493,-3.7644,.5183;1.0265,-4.4916,-1.1408;-.3481,-1.5255,1.6441;3.3299,-4.1953,-.3068;1.9441,-1.227,2.4467;3.8048,-2.547,1.4852; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "1-OCTANOL" 350.26169999999973 AuxInfo=1/0/N:13,14,8,9,28,26,27,21,19,24,25,22,10,18,17,12,16,23,20,6,15,7,11,5,4,2,3,1/E:(1,2)(3,4)(6,7)(10,11)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.2,16.3,17.3,18.3,19.3,23.3,25.1,26.1/rA:53nOO1ON1CCCCCC3C3C3CCCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5s6;s5;s5;s6;s1s2s7;s10;s12;s12;s1;s15;s4s15;s16;s16;s3s18;s19;s20s21;s3;s23;s23;s24;s25;s26s27;s6;s7;s8;s8;s8;s9;s9;s9;s10;s13;s13;s13;s14;s14;s14;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-1.247,1.7052,-1.1294;-.9991,1.5362,1.0827;-1.0521,-3.2891,-.2949;-3.9688,3.0136,.4388;1.6422,3.1473,.5928;1.9912,1.6975,.5952;.8625,2.1818,-.2936;1.0182,3.759,1.8216;2.5263,4.1107,-.1616;3.2708,1.2044,.0256;-.5165,1.7799,.0066;3.4411,.3331,-.9721;2.3274,-.3246,-1.7275;4.8151,-.0588,-1.4247;-2.6027,1.3262,-1.0234;-2.8302,-.1078,-.5779;-3.3423,2.2724,-.1755;-1.8062,-1.0383,-.6594;-4.0919,-.4992,-.1437;-2.0344,-2.3427,-.2401;-4.315,-1.8151,.2284;-3.2853,-2.7425,.2013;.2005,-3.0256,.1872;1.2358,-3.7758,-.3557;.4503,-2.1071,1.2013;2.5278,-3.6059,.1186;1.7514,-1.9417,1.6568;2.7949,-2.6841,1.1218;1.6532,1.1674,1.4842;1.0824,2.2608,-1.3516;.4518,3.0483,2.4181;1.8064,4.1626,2.4608;.3553,4.5861,1.5597;1.9574,4.9891,-.4726;3.3455,4.4576,.4718;2.9647,3.6662,-1.0553;4.1609,1.6024,.5075;1.3636,-.2506,-1.2306;2.225,.1108,-2.726;2.5445,-1.3841,-1.8775;4.982,-1.129,-1.2746;4.943,.1255,-2.4948;5.5979,.4829,-.8937;-2.9983,1.4486,-2.0363;-.8287,-.7667,-1.0363;-4.9061,.2129,-.0911;-5.2983,-2.1172,.5636;-3.4493,-3.7644,.5183;1.0265,-4.4916,-1.1408;-.3481,-1.5255,1.6441;3.3299,-4.1953,-.3068;1.9441,-1.227,2.4467;3.8048,-2.547,1.4852; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM O N C H 1.6280 1.8900 1.8500 1.2000 Solvent: 1-OCTANOL Soln 1.4295 Soln25 1.4279 Sola 0.3700 Solb 0.4800 Solg 39.0100 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 3119 GEPOL Volume 2690.7067 GEPOL Surface-area 1529.7191 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 1.0s) Overall time for CPCM initialization 1.1s -1210.10221167 2649.04676874 -3859.14898041 -6909.63408739 3050.48510697 -0.03133937 -2414.80635471 1204.70414303 2.00448083 100.000103160966 100.000103160966 200.000206321932 -118.591356604934 0 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 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1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 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7.6049 7.7335 7.7716 7.8809 7.9520 8.0567 8.1483 8.3779 8.4195 8.4743 8.5237 8.6081 8.7665 8.8223 8.9409 8.9848 9.1133 9.2556 9.3708 9.5009 9.6296 9.8125 9.9484 10.0198 10.0736 10.1361 10.3579 10.3714 10.5134 10.6537 10.7050 10.9101 10.9547 11.0137 11.1423 11.2893 11.3741 11.4872 11.5841 11.6689 11.7059 11.7740 11.8902 11.9338 12.0735 12.1584 12.2097 12.3433 12.5467 12.6083 12.6748 12.7983 12.9161 12.9583 13.1117 13.1796 13.2079 13.3486 13.5044 13.5562 13.6267 13.7439 13.7902 13.8893 13.9866 14.0268 14.0612 14.2210 14.2844 14.4034 14.4217 14.4457 14.6105 14.6531 14.7970 14.8928 14.9653 15.0506 15.0793 15.1445 15.2312 15.3451 15.4116 15.4815 15.5273 15.5615 15.8866 16.0005 16.0316 16.0736 16.1561 16.2758 16.3114 16.4321 16.4710 16.6380 16.7510 16.7882 16.8894 16.9509 17.0120 17.0521 17.2235 17.5133 17.5376 17.5525 17.6037 17.7312 17.9403 18.1279 18.2285 18.4218 18.5938 18.6614 18.7507 18.8337 19.1084 19.1618 19.3489 19.5802 19.6770 19.6892 19.8299 19.8529 20.0797 20.2375 20.3291 20.4405 20.6240 20.7526 20.8560 20.9185 21.0687 21.2772 21.3504 21.4200 21.5986 21.7498 21.7549 21.9200 22.0095 22.1368 22.3413 22.4495 22.5687 22.5932 22.9241 23.0993 23.1904 23.2313 23.3844 23.5380 23.6442 23.7238 23.9174 24.1159 24.2770 24.3788 24.5209 24.5233 24.6129 24.8900 25.0556 25.1155 25.1756 25.2874 25.4723 25.6114 25.7493 25.9211 26.0171 26.2941 26.3536 26.4834 26.5613 26.6767 26.9027 26.9756 27.1090 27.3946 27.5342 27.7224 27.8180 27.8649 27.9398 28.1197 28.2044 28.3687 28.5218 28.6536 28.8469 28.9214 29.1016 29.2019 29.3007 29.4198 29.4997 29.6188 29.7629 29.9319 30.0274 30.1248 30.2570 30.4616 30.5499 30.5968 30.7161 30.8691 30.9906 31.2190 31.3977 31.4132 31.5866 31.6231 31.8206 31.9066 32.0490 32.0846 32.3486 32.4010 32.4573 32.5375 32.8475 32.9631 33.0398 33.0844 33.1917 33.2785 33.3707 33.6562 33.6668 33.8602 33.9032 33.9525 34.2769 34.4651 34.5214 34.7352 34.8387 34.9693 35.1639 35.2699 35.3695 35.6427 35.7427 35.8043 35.8552 35.9816 36.0631 36.1801 36.3454 36.4734 36.5460 36.6955 36.7225 36.7613 36.9040 37.1122 37.1581 37.2304 37.3760 37.5176 37.7079 37.7922 38.0279 38.1412 38.3008 38.3365 38.4515 38.5958 38.6930 38.8343 38.9104 38.9992 39.1347 39.2279 39.2652 39.5136 39.5325 39.6439 39.7451 39.8050 40.0380 40.1472 40.3248 40.4026 40.5396 40.6966 40.7462 40.8773 41.0492 41.2427 41.4111 41.5749 41.5969 41.7679 41.8418 41.9686 42.1158 42.2299 42.3008 42.3868 42.6109 42.7530 42.8783 43.0146 43.1526 43.2010 43.2862 43.4004 43.6088 43.6266 43.8471 43.9060 43.9383 44.2302 44.2694 44.4159 44.5290 44.5720 44.9034 44.9295 45.0815 45.1477 45.2367 45.3907 45.4256 45.5586 45.8030 45.8516 46.0376 46.1627 46.2586 46.3142 46.4559 46.6852 46.7772 46.8158 47.0809 47.2866 47.3299 47.5033 47.6536 47.7466 47.7895 48.1194 48.2863 48.3571 48.5081 48.6489 48.8045 48.8576 49.0098 49.2174 49.2673 49.4248 49.6432 49.8116 49.9035 50.0003 50.2212 50.4646 50.5500 50.7091 51.0077 51.1347 51.4598 51.5809 51.9062 52.0251 52.3963 52.5329 52.8417 53.0440 53.3274 53.3676 53.6415 53.8655 54.1345 54.3230 54.5934 54.7447 54.9552 55.1028 55.2316 55.6429 55.7133 55.8661 56.1051 56.2783 56.5326 56.6582 56.9367 57.1182 57.2693 57.5311 57.6999 57.9589 58.2361 58.4125 58.4717 58.6278 58.9425 59.0466 59.5010 59.5210 59.7358 59.8484 59.9983 60.4552 60.7409 60.8162 61.0245 61.1254 61.6815 61.8762 62.2612 62.3694 62.5425 62.7566 62.8769 63.3656 63.5470 63.7411 63.8110 63.9795 64.2666 64.3867 64.4326 64.7358 64.9658 65.3151 65.5179 65.7626 66.0395 66.2882 66.6060 67.0471 67.2110 67.3063 67.5393 67.6965 67.8077 67.9187 67.9933 68.3108 68.4912 68.7073 68.9645 69.0653 69.4323 69.7675 69.9612 70.3705 70.6968 70.9121 70.9853 71.2342 71.3731 71.5348 71.7310 71.9067 72.1034 72.2416 72.4261 72.5088 72.9117 73.1461 73.5004 73.7982 73.9881 74.1594 74.2959 74.3471 74.6091 74.7995 74.9498 75.2106 75.4261 75.5663 75.7124 75.8230 76.1981 76.2728 76.5434 76.7247 76.7870 76.9127 77.0276 77.3422 77.4641 77.5330 77.6581 77.7273 77.9693 78.0917 78.1169 78.3188 78.5747 78.6352 78.7677 78.8948 78.9885 79.0637 79.2085 79.2644 79.4822 79.5847 79.6653 79.7708 79.9366 80.0792 80.1492 80.2685 80.3870 80.4908 80.6506 80.8051 80.9926 81.1658 81.2429 81.2806 81.3737 81.6731 81.8350 81.9435 81.9980 82.2002 82.2497 82.5137 82.6128 82.8039 82.8367 82.9605 83.1554 83.2906 83.3681 83.5162 83.5465 83.6719 83.9666 84.0221 84.2013 84.2650 84.3949 84.5126 84.6190 84.7123 84.7626 85.0191 85.1202 85.2507 85.3618 85.4674 85.6058 85.7245 85.8703 85.9351 85.9665 86.0694 86.1971 86.3282 86.4147 86.5415 86.6282 86.7096 86.7613 87.0269 87.1045 87.1758 87.2698 87.3655 87.4237 87.5447 87.6731 87.7572 87.9652 88.0707 88.1563 88.3683 88.3976 88.5079 88.6730 88.7934 89.0257 89.1090 89.2534 89.3683 89.4799 89.5216 89.6718 89.7896 89.8970 90.0509 90.2437 90.3350 90.4215 90.5977 90.7253 90.9340 91.0400 91.1263 91.2547 91.5363 91.7116 91.7543 91.9717 92.0321 92.1460 92.3354 92.4747 92.6047 92.7007 92.7718 92.8724 92.9135 92.9982 93.0593 93.2374 93.2823 93.4228 93.5237 93.5673 93.8225 93.9141 94.0487 94.1134 94.2137 94.3258 94.4674 94.5515 94.6504 94.7600 94.8641 95.0311 95.1393 95.1677 95.2658 95.3395 95.5340 95.6976 95.7500 96.0092 96.1307 96.1835 96.4590 96.7753 96.8178 96.9005 96.9739 97.1217 97.2158 97.3264 97.4621 97.5717 97.7323 97.7577 97.9863 98.1701 98.2240 98.2919 98.4244 98.5336 98.5600 98.5940 98.8203 98.9291 99.0501 99.1462 99.3989 99.4532 99.5454 99.7007 99.8573 99.9601 100.0707 100.2712 100.6283 100.6461 100.7609 100.9437 101.0706 101.1526 101.4553 101.5762 101.6418 101.6903 102.0444 102.1523 102.4062 102.5492 102.7094 102.9052 103.2006 103.3026 103.3783 103.5130 103.6108 103.7180 104.0016 104.0266 104.4049 104.4781 104.6099 104.8517 104.8973 105.1716 105.3162 105.4538 105.5357 105.5913 105.6923 105.7194 105.9896 106.1255 106.3976 106.4184 106.5623 106.6938 106.7822 106.9107 107.0214 107.1291 107.3109 107.6181 107.7970 107.8835 107.9780 108.1680 108.1833 108.3648 108.5669 108.8918 108.9620 109.1697 109.2071 109.3666 109.4910 109.6292 109.7220 109.8943 110.0501 110.2115 110.2514 110.4367 110.5990 110.7853 110.8049 110.9826 111.1287 111.3517 111.6132 111.6718 111.7482 111.8298 112.0356 112.0865 112.2374 112.3326 112.5427 112.6737 112.8594 112.9075 113.1282 113.3512 113.5560 113.6947 113.8385 113.9133 114.0170 114.2542 114.4562 114.5435 114.6999 114.7605 114.9641 115.2403 115.2824 115.5470 115.5816 115.7300 115.8569 115.8835 116.0644 116.1231 116.3706 116.4077 116.5534 116.6409 116.8228 116.9479 117.0833 117.1564 117.2945 117.4985 117.5853 117.6899 117.8078 117.9414 118.1626 118.1950 118.2561 118.4298 118.4907 118.5972 118.7470 118.8282 118.9256 119.0484 119.3621 119.6113 119.6421 119.8350 119.9825 119.9916 120.1317 120.5160 120.5982 120.6156 120.7912 121.0211 121.1913 121.3079 121.4185 121.7537 121.8750 122.0229 122.1298 122.2874 122.6714 122.7169 122.8205 123.0469 123.3639 123.5904 123.6825 123.8376 124.0550 124.2381 124.3861 124.5614 124.7609 125.1677 125.1998 125.7342 126.0077 126.2741 126.3290 126.4522 126.5174 126.8165 126.9427 127.0393 127.2566 127.3897 127.7380 128.0942 128.1889 128.4752 128.6679 128.7432 129.1302 129.4523 129.5759 129.6370 129.8767 129.9891 130.1334 130.2979 130.3403 130.6211 130.6700 130.8181 131.0169 131.1697 131.3007 131.4480 131.6320 131.8578 131.8872 131.9663 132.3780 132.6031 132.7232 132.8873 133.0203 133.3563 133.4486 133.4850 133.7299 133.8324 134.1390 134.2877 134.6411 134.9089 135.1688 135.3481 135.4062 135.8131 136.0343 136.3926 136.7828 137.1930 137.5586 137.6390 137.9988 138.3245 138.3735 138.7716 138.8767 139.1227 139.2698 139.4399 140.0217 140.0644 140.6290 140.7237 140.8263 141.2774 141.5070 141.5406 141.6454 141.9554 142.3799 142.4868 143.1041 143.2087 143.6916 143.8457 144.1936 144.4349 144.6581 144.6980 144.8304 144.9572 144.9965 145.3851 145.5016 145.6613 145.7644 145.9276 146.2281 146.2663 146.4385 146.8543 146.9776 147.1072 147.4425 147.5836 147.7730 147.9441 148.0994 148.3357 148.5090 148.7463 148.8021 149.0129 149.2103 149.4420 149.8024 149.9083 150.2014 150.3779 150.4740 150.6666 150.9836 151.1489 151.2776 151.4857 151.9334 152.0933 152.3052 152.5671 152.8714 152.9417 153.5209 153.7514 154.0655 154.2394 154.6136 154.8409 154.9651 155.3128 155.5670 156.1549 156.5752 156.9307 157.0259 157.3101 157.4503 157.6240 157.8056 157.9093 158.0451 158.5565 159.1092 159.2870 159.4099 159.6879 160.0544 160.2529 160.3690 160.5164 161.0256 161.2442 161.7243 161.9687 162.4053 163.4052 163.7407 164.4009 165.1398 166.0855 166.3647 168.1896 170.2428 170.4768 171.2311 172.6303 173.3159 173.4700 174.8922 177.2145 178.0559 179.1587 180.2011 181.0242 183.1577 185.4007 186.2448 187.4747 187.6130 189.3907 189.6631 192.2248 192.5932 193.7726 195.7299 196.8394 199.5814 202.2968 204.9352 206.8298 208.2469 620.4396 620.9790 623.8280 626.3771 631.0526 632.1362 632.4379 633.1881 634.4380 634.8057 635.9420 636.8533 637.3868 638.0520 640.1604 641.7009 642.5294 643.4865 645.0075 648.0274 650.8127 651.8133 657.4377 658.4375 877.6017 1203.6074 1212.3051 1215.3301 -0.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 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