Orca 5.0.3 RELEASE 1 2 3 4 5 6 7 10s8p6d3f1g 15s8p3d2f1g 7s3p2d1f 15s8p3d2f1g 15s8p3d2f1g 24s18p10d3f1g 20s14p4d2f1g 7s5p4d3f1g 7s4p3d2f1g 4s3p2d1f 7s4p3d2f1g 7s4p3d2f1g 11s6p5d3f1g 9s6p4d2f1g 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 Ir C C C C C C H H H H H H C O 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 N H H C H C H H H C C H Fe C H C H C H C C H C H H C C H P H C C C H C H C H C H H C C H C C H C C H H H H C H H C H H C H H C H H H 1 2 2 2 2 2 2 3 3 3 3 3 3 2 4 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 5 3 3 2 3 2 3 3 3 2 2 3 6 2 3 2 3 2 3 2 2 3 2 3 3 2 2 3 7 3 2 2 2 3 2 3 2 3 2 3 3 2 2 3 2 2 3 2 2 3 3 3 3 2 3 3 2 3 3 2 3 3 2 3 3 3 1 Ir ECP Def2-ECP 0 Ir 1 861.5340610000007 AuxInfo=1/0/N:105,24,23,25,22,26,102,99,7,96,6,4,3,19,18,20,17,21,5,2,16,14,15;48,77,90,75,79,88,91,65,74,81,87,84,53,62,46,73,85,52,63,43,71;56,58,68,60,69;55;1/E:(3,4)(5,6)(15,16)(17,18);(2,3)(4,5,6,7)(9,10,11,12)(16,17);(1,2,3,4,5);;/CRV:14.3,15.3,16.3,17.3,18.3,20.3,21.3,22.3,23.1;2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.3,17.3,18.3,19.3;1.3,2.3,3.3,4.3,5.3;;/rA:108nIrCCCCCCHHHHHHC3O1C3C3C3C3C3C3CCCCCHHHHHHHHHHHHHHHHN4HHCHCHHHCCHFeCHCHCHCCHCHHCCHP4HC3C3C3HC3HC3HC3HHC3C3HC3C3HC3C3HHHHCHHCHHCHHCHHH/rB:s1;s2;s2;s3;s5;s4s6;s6;s6;s7;s7;s4;s4;s2;s14;s14;s16;s17;s18;s19;s16s20;s17;s18;s19;s20;s21;s22;s22;s22;s26;s26;s26;s25;s25;s25;s24;s24;s24;s23;s23;s23;s3;s1;s43;s43;s43;s46;s46;s48;s48;s48;s46;s52;s53;s52s53;s55;s56;s55s56;s58;s55s58;s60;s55;s52s55s62;s62;s53s55s62;s65;;s55s56s67;s55s60s68;s69;s1s63;;s71;s72s73;s74;s75;s75;s77;s77;s79;s73s79;s81;;s83;s71s84;;s85s86;s87;s88;s88;s84s90;s91;s90;s3;s5;s5;s96;s96;s96;s99;s99;s99;s102;s102;s102;s105;s105;s105;/rC:12.9773,8.6283,4.1425;14.6234,7.5553,3.3284;13.7548,7.4061,2.078;15.3145,6.3093,3.8531;13.3265,5.9609,1.7764;13.1133,5.2124,3.0959;14.4167,5.0529,3.886;12.6646,4.2227,2.9036;12.3972,5.7882,3.7049;14.9855,4.1977,3.4848;14.17,4.7938,4.9234;15.7046,6.5185,4.8594;16.2019,6.1002,3.2289;15.3397,8.8173,3.3334;14.8662,9.8142,2.7259;16.7385,8.8975,3.9192;17.7787,8.464,3.07;19.1082,8.4982,3.5297;19.3899,8.9413,4.8378;18.3549,9.4316,5.6548;17.0217,9.4008,5.1981;17.4852,7.9715,1.665;20.2443,8.0551,2.6302;20.8131,8.8975,5.3557;18.673,9.9927,7.0262;15.9028,9.9023,6.0739;16.4107,7.9072,1.4608;17.9169,6.9733,1.4917;17.9204,8.6491,.9121;15.9521,9.478,7.0883;14.9304,9.6288,5.6445;15.9336,10.9994,6.1833;18.7938,9.1887,7.7735;17.8789,10.6579,7.3871;19.6085,10.5705,7.0168;21.3682,8.0484,4.9338;20.8437,8.7993,6.4488;21.3685,9.8148,5.0911;19.9602,8.0691,1.571;20.5696,7.0276,2.8704;21.1226,8.707,2.7444;12.8087,8.0285,2.1749;11.1084,9.6981,4.015;11.1324,10.2448,3.1515;11.0106,10.3878,4.7615;9.8837,8.8623,4.0028;9.0216,9.5214,3.8031;9.9477,7.8116,2.8978;10.1493,8.2851,1.9232;10.7451,7.0857,3.1084;8.9847,7.2831,2.8334;9.6603,8.2529,5.3621;8.3775,7.8877,5.8714;7.429,8.0224,5.3505;9.235,9.3056,7.0544;9.8906,11.2524,7.0625;10.7547,11.6509,6.533;8.5568,11.1749,6.5602;8.2275,11.4755,5.5651;7.7389,10.5943,7.5763;6.6763,10.3661,7.4902;9.9348,7.4475,7.513;10.6383,7.9617,6.3742;10.391,7.1526,8.4573;8.5483,7.386,7.196;7.7517,7.0623,7.866;10.7732,10.6116,9.0274;9.8992,10.718,8.3875;8.5686,10.3163,8.7054;8.248,9.8391,9.6318;12.4485,8.0893,6.1612;11.1995,5.383,6.3669;13.0312,6.46,6.777;12.228,5.3141,6.7293;12.7331,4.0773,7.1407;12.0939,3.1903,7.1011;14.0489,3.9729,7.5974;14.4439,3.0051,7.92;14.8614,5.1109,7.6352;15.8955,5.0364,7.9842;14.3554,6.3445,7.2251;14.9967,7.2303,7.2555;12.7618,7.6619,9.1307;12.9383,8.7182,8.9112;12.8849,9.1806,7.5892;13.0877,10.89,6.3032;13.1182,10.537,7.3383;13.4039,11.4196,8.3813;13.5868,12.4767,8.1669;13.4624,10.9495,9.6961;13.2261,9.5967,9.9591;13.2685,9.222,10.9862;13.6922,11.6362,10.5162;14.2381,7.882,1.2084;12.3643,5.9931,1.2346;14.339,5.2476,.8643;15.3551,5.3542,1.2816;14.1185,4.1647,.8686;14.3427,5.7423,-.5821;13.3394,5.5931,-1.0225;14.5275,6.8309,-.6076;15.3888,5.0447,-1.4526;16.3881,5.2009,-1.0073;15.2127,3.9541,-1.429;15.3894,5.5352,-2.8996;16.153,5.0191,-3.5036;14.4099,5.3626,-3.3766;15.596,6.6176,-2.9495;/R:/0/N:105,24,23,25,22,26,48,102,99,77,90,75,79,88,91,7,96,6,74,81,87,84,4,3,19,18,20,17,21,46,5,73,85,16,56,58,68,60,69,65,53,62,14,2,52,63,55,1,43,15,71/E:(3,4)(5,6)(10,11)(12,13,14,15)(19,20,21,22)(26,27)(28,29)(32,33)(35,36,37,38,39)/CRV:10.3,11.3,12.3,13.3,14.3,15.3,19.3,20.3,21.3,22.3,25.3,26.3,27.3,28.3,29.3,32.3,33.3,34.3,43.3,47.10,49.4,50.1,51.4 Method DFT(GTOs) Exchange WB97X-V Correlation WB97X-V PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.167000 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 0.833000 Range separation parameter mu (erf(mu*r12)/r12) 0.300000 RI-approximation to the Coulomb term is turned on functions 3208 RIJ-COSX (HFX calculated with COS-X)) on IntName bu_re_s_wb97xd3bj_slide_ts_sp HFTyp RHF Charge 0 Mult 1 NEL 406 Dim 4672 ENuc 8809.6997977569 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 15 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 2.000e-06 Converg. threshold II (energy diff.) 1.000e-09 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 512 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 1.000e-12 Eh TCut 1.000e-14 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-09 Eh 1-El. energy change 1.000e-06 Eh TolErr 1.000e-08 Smallest eigenvalue 7.853e-07 Time for diagonalization 4.769 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 3.196 sec Total time needed 8.111 sec 77 6 6 6 6 6 6 1 1 1 1 1 1 6 8 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 7 1 1 6 1 6 1 1 1 6 6 1 26 6 1 6 1 6 1 6 6 1 6 1 1 6 6 1 15 1 6 6 6 1 6 1 6 1 6 1 1 6 6 1 6 6 1 6 6 1 1 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 861.5340610000007 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0 1 wB97X-D3BJ def2-QZVP def2/J SP VeryTightSCF defgrid3 SCF MaxIter 512 DIISMaxEq 15 cpcm epsilon 12.47 refrac 1.3878 maxcore 3000 861.5340610000007 AuxInfo=1/0/N:105,24,23,25,22,26,102,99,7,96,6,4,3,19,18,20,17,21,5,2,16,14,15;48,77,90,75,79,88,91,65,74,81,87,84,53,62,46,73,85,52,63,43,71;56,58,68,60,69;55;1/E:(3,4)(5,6)(15,16)(17,18);(2,3)(4,5,6,7)(9,10,11,12)(16,17);(1,2,3,4,5);;/CRV:14.3,15.3,16.3,17.3,18.3,20.3,21.3,22.3,23.1;2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.3,17.3,18.3,19.3;1.3,2.3,3.3,4.3,5.3;;/rA:108nIrCCCCCCHHHHHHC3O1C3C3C3C3C3C3CCCCCHHHHHHHHHHHHHHHHN4HHCHCHHHCCHFeCHCHCHCCHCHHCCHP4HC3C3C3HC3HC3HC3HHC3C3HC3C3HC3C3HHHHCHHCHHCHHCHHH/rB:s1;s2;s2;s3;s5;s4s6;s6;s6;s7;s7;s4;s4;s2;s14;s14;s16;s17;s18;s19;s16s20;s17;s18;s19;s20;s21;s22;s22;s22;s26;s26;s26;s25;s25;s25;s24;s24;s24;s23;s23;s23;s3;s1;s43;s43;s43;s46;s46;s48;s48;s48;s46;s52;s53;s52s53;s55;s56;s55s56;s58;s55s58;s60;s55;s52s55s62;s62;s53s55s62;s65;;s55s56s67;s55s60s68;s69;s1s63;;s71;s72s73;s74;s75;s75;s77;s77;s79;s73s79;s81;;s83;s71s84;;s85s86;s87;s88;s88;s84s90;s91;s90;s3;s5;s5;s96;s96;s96;s99;s99;s99;s102;s102;s102;s105;s105;s105;/rC:12.9773,8.6283,4.1425;14.6234,7.5553,3.3284;13.7548,7.4061,2.078;15.3145,6.3093,3.8531;13.3265,5.9609,1.7764;13.1133,5.2124,3.0959;14.4167,5.0529,3.886;12.6646,4.2227,2.9036;12.3972,5.7882,3.7049;14.9855,4.1977,3.4848;14.17,4.7938,4.9234;15.7046,6.5185,4.8594;16.2019,6.1002,3.2289;15.3397,8.8173,3.3334;14.8662,9.8142,2.7259;16.7385,8.8975,3.9192;17.7787,8.464,3.07;19.1082,8.4982,3.5297;19.3899,8.9413,4.8378;18.3549,9.4316,5.6548;17.0217,9.4008,5.1981;17.4852,7.9715,1.665;20.2443,8.0551,2.6302;20.8131,8.8975,5.3557;18.673,9.9927,7.0262;15.9028,9.9023,6.0739;16.4107,7.9072,1.4608;17.9169,6.9733,1.4917;17.9204,8.6491,.9121;15.9521,9.478,7.0883;14.9304,9.6288,5.6445;15.9336,10.9994,6.1833;18.7938,9.1887,7.7735;17.8789,10.6579,7.3871;19.6085,10.5705,7.0168;21.3682,8.0484,4.9338;20.8437,8.7993,6.4488;21.3685,9.8148,5.0911;19.9602,8.0691,1.571;20.5696,7.0276,2.8704;21.1226,8.707,2.7444;12.8087,8.0285,2.1749;11.1084,9.6981,4.015;11.1324,10.2448,3.1515;11.0106,10.3878,4.7615;9.8837,8.8623,4.0028;9.0216,9.5214,3.8031;9.9477,7.8116,2.8978;10.1493,8.2851,1.9232;10.7451,7.0857,3.1084;8.9847,7.2831,2.8334;9.6603,8.2529,5.3621;8.3775,7.8877,5.8714;7.429,8.0224,5.3505;9.235,9.3056,7.0544;9.8906,11.2524,7.0625;10.7547,11.6509,6.533;8.5568,11.1749,6.5602;8.2275,11.4755,5.5651;7.7389,10.5943,7.5763;6.6763,10.3661,7.4902;9.9348,7.4475,7.513;10.6383,7.9617,6.3742;10.391,7.1526,8.4573;8.5483,7.386,7.196;7.7517,7.0623,7.866;10.7732,10.6116,9.0274;9.8992,10.718,8.3875;8.5686,10.3163,8.7054;8.248,9.8391,9.6318;12.4485,8.0893,6.1612;11.1995,5.383,6.3669;13.0312,6.46,6.777;12.228,5.3141,6.7293;12.7331,4.0773,7.1407;12.0939,3.1903,7.1011;14.0489,3.9729,7.5974;14.4439,3.0051,7.92;14.8614,5.1109,7.6352;15.8955,5.0364,7.9842;14.3554,6.3445,7.2251;14.9967,7.2303,7.2555;12.7618,7.6619,9.1307;12.9383,8.7182,8.9112;12.8849,9.1806,7.5892;13.0877,10.89,6.3032;13.1182,10.537,7.3383;13.4039,11.4196,8.3813;13.5868,12.4767,8.1669;13.4624,10.9495,9.6961;13.2261,9.5967,9.9591;13.2685,9.222,10.9862;13.6922,11.6362,10.5162;14.2381,7.882,1.2084;12.3643,5.9931,1.2346;14.339,5.2476,.8643;15.3551,5.3542,1.2816;14.1185,4.1647,.8686;14.3427,5.7423,-.5821;13.3394,5.5931,-1.0225;14.5275,6.8309,-.6076;15.3888,5.0447,-1.4526;16.3881,5.2009,-1.0073;15.2127,3.9541,-1.429;15.3894,5.5352,-2.8996;16.153,5.0191,-3.5036;14.4099,5.3626,-3.3766;15.596,6.6176,-2.9495;/R:/0/N:105,24,23,25,22,26,48,102,99,77,90,75,79,88,91,7,96,6,74,81,87,84,4,3,19,18,20,17,21,46,5,73,85,16,56,58,68,60,69,65,53,62,14,2,52,63,55,1,43,15,71/E:(3,4)(5,6)(10,11)(12,13,14,15)(19,20,21,22)(26,27)(28,29)(32,33)(35,36,37,38,39)/CRV:10.3,11.3,12.3,13.3,14.3,15.3,19.3,20.3,21.3,22.3,25.3,26.3,27.3,28.3,29.3,32.3,33.3,34.3,43.3,47.10,49.4,50.1,51.4 Epsilon 12.4700 Refrac 1.3878 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Ir C H O N Fe P 2.4000 2.0400 1.3200 1.8240 1.8600 2.4000 2.1600 Calculating surface done! ( 0.1s) GEPOL surface points 5119 GEPOL Volume 5885.0920 GEPOL Surface-area 2520.1480 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 1.3s) Overall time for CPCM initialization 1.6s -3628.32452073 8809.69979776 -12438.02431849 -22561.65792645 10123.63360796 -0.03802902 -7175.20860212 3546.88408138 2.02296112 203.000026155103 203.000026155103 406.000052310206 -246.912770581523 -17.449158214916 -264.361928796439 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 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96.2674 96.3820 96.4359 96.5094 96.5134 96.5744 96.6748 96.7147 96.8243 96.9195 96.9756 97.0064 97.0946 97.0989 97.1896 97.3636 97.3697 97.3924 97.4350 97.5067 97.5714 97.6137 97.6694 97.7635 97.8289 97.8636 97.9213 97.9772 98.0076 98.1416 98.1968 98.2227 98.2826 98.3623 98.3835 98.4236 98.4624 98.5429 98.6429 98.6957 98.7918 98.8195 98.9078 98.9673 99.0071 99.1234 99.1756 99.2407 99.2817 99.3870 99.3939 99.4703 99.5000 99.5673 99.6810 99.7285 99.7733 99.7964 99.8632 99.9535 99.9939 100.0372 100.0401 100.1690 100.2418 100.3240 100.3897 100.4160 100.4807 100.5348 100.6057 100.6902 100.8182 100.9050 100.9536 100.9857 101.0762 101.1431 101.1832 101.2643 101.3323 101.3673 101.4009 101.4900 101.5231 101.5919 101.6777 101.7207 101.8478 101.9051 101.9780 102.1682 102.1715 102.1911 102.2670 102.2921 102.3572 102.3792 102.4520 102.5214 102.5889 102.6254 102.7814 102.7966 102.8791 102.9228 102.9979 103.0517 103.1536 103.2102 103.2634 103.3632 103.3886 103.5095 103.5210 103.6466 103.6993 103.7830 103.8817 103.9472 103.9608 104.0645 104.1618 104.3070 104.3453 104.4314 104.4935 104.5129 104.6200 104.6641 104.7529 104.7769 104.7869 104.8701 105.0060 105.0568 105.1519 105.1899 105.3111 105.4120 105.4335 105.6527 105.7235 105.8018 105.8189 105.8700 105.9253 106.0997 106.1275 106.1931 106.2635 106.3249 106.3948 106.4342 106.5011 106.5926 106.6378 106.7271 106.7846 106.8552 106.8988 106.9694 106.9895 107.0402 107.1712 107.1996 107.2781 107.3500 107.4057 107.4753 107.5652 107.6690 107.8101 107.8387 107.9086 107.9940 108.0635 108.1877 108.2636 108.3271 108.3924 108.4564 108.4879 108.5441 108.5766 108.6577 108.7056 108.7499 108.8671 108.9600 108.9831 109.0113 109.0659 109.1028 109.1808 109.1890 109.3619 109.3968 109.4049 109.4954 109.5996 109.6912 109.7733 109.7945 109.9536 109.9963 110.0424 110.0841 110.1647 110.2509 110.2633 110.4048 110.5113 110.5862 110.6391 110.7243 110.8354 110.8801 111.0492 111.1183 111.1715 111.2518 111.2762 111.3287 111.4472 111.5826 111.6786 111.7964 111.8310 111.8563 111.9334 112.0197 112.1064 112.1766 112.3180 112.3916 112.4528 112.5412 112.5899 112.6972 112.7846 112.8139 113.1027 113.1963 113.2756 113.4179 113.4726 113.5547 113.6445 113.7296 113.7417 113.8401 113.9601 114.0590 114.1445 114.1757 114.2810 114.3193 114.3783 114.5135 114.6272 114.6937 114.6999 114.7604 114.8433 115.0441 115.0701 115.1886 115.3207 115.4103 115.4530 115.5513 115.6685 115.7587 115.8071 115.8933 115.9554 116.1239 116.2240 116.3210 116.4371 116.5120 116.5441 116.7232 116.8716 116.9559 117.0491 117.0738 117.2680 117.4562 117.5030 117.5788 117.5836 117.8091 117.9427 118.1061 118.1626 118.2323 118.3967 118.4768 118.5840 118.6412 118.7105 118.8036 118.9253 119.1153 119.2126 119.3991 119.5642 119.6653 119.7105 119.8583 119.9856 119.9986 120.1617 120.2744 120.3199 120.4827 120.6618 120.7547 120.9220 121.0294 121.1468 121.2931 121.3375 121.4372 121.6332 121.7061 121.7274 122.0559 122.1609 122.3452 122.3777 122.5552 122.6382 122.7815 122.8025 122.9598 123.2055 123.2766 123.3294 123.5479 123.7339 123.8573 123.9835 124.0788 124.1596 124.4303 124.5003 124.5668 124.8161 125.0045 125.0630 125.3357 125.4387 125.6394 125.6668 125.8698 126.0762 126.1943 126.3396 126.4951 126.7437 126.9199 127.2380 127.3255 127.3397 127.5334 127.7569 128.0257 128.0929 128.1639 128.3476 128.4801 128.6735 128.7990 128.9216 129.0404 129.1793 129.3698 129.5044 129.6218 129.6976 129.8896 129.9804 130.0576 130.2592 130.4391 130.5650 130.6880 130.8760 130.9490 131.0875 131.4232 131.9064 131.9533 132.1560 132.3072 132.5707 132.6411 132.8543 133.0505 133.1602 133.3219 133.4160 133.5414 133.6878 133.8900 134.0063 134.1895 134.2312 134.3574 134.5314 134.6160 134.7209 134.7837 135.0585 135.0801 135.3637 135.5747 135.6399 135.8964 136.1420 136.2343 136.3548 136.5770 136.6432 136.7976 136.8139 136.9559 137.2282 137.2471 137.4305 137.5411 137.6021 137.8071 137.8771 138.0614 138.1750 138.4571 138.5704 138.6166 138.7844 138.9599 139.1237 139.4426 139.5242 139.6010 139.7139 140.0160 140.1531 140.1981 140.3474 140.4901 140.5590 140.6481 140.7862 140.9337 141.0656 141.1752 141.2519 141.3877 141.4413 141.5089 141.5912 141.7398 141.9267 141.9719 142.1022 142.2899 142.3578 142.4183 142.5565 142.6820 142.7984 142.9925 143.0449 143.1098 143.2426 143.3346 143.4746 143.5202 143.6744 143.7561 143.9136 143.9429 144.0365 144.0989 144.1576 144.2389 144.3981 144.4566 144.4778 144.5345 144.6534 144.6916 144.7902 144.7999 144.9304 145.0016 145.0625 145.1655 145.2541 145.3478 145.5601 145.7147 145.7621 145.8650 145.9410 146.0256 146.0509 146.1699 146.3140 146.4670 146.5497 146.6392 146.7302 146.8496 146.8979 147.0782 147.1392 147.2164 147.2782 147.4189 147.4629 147.5635 147.5966 147.6918 147.8640 147.9055 147.9647 148.0410 148.0617 148.1166 148.1791 148.2248 148.3631 148.3932 148.4479 148.5385 148.6459 148.7013 148.7673 148.9735 149.0429 149.1273 149.2289 149.3238 149.4092 149.5213 149.5595 149.6826 149.7609 149.9127 149.9601 150.0100 150.2020 150.2840 150.3638 150.4795 150.5411 150.6283 150.7571 150.8219 150.8619 151.0222 151.1460 151.2370 151.3224 151.3678 151.4322 151.4877 151.7060 151.7925 151.8782 151.9267 152.0552 152.1726 152.2590 152.3567 152.5011 152.5748 152.6812 152.7423 152.8990 152.9835 153.0762 153.1081 153.1685 153.2317 153.3814 153.4443 153.5018 153.6299 153.7012 153.7545 153.9478 153.9538 154.0711 154.1998 154.2419 154.4214 154.4484 154.4892 154.5059 154.6103 154.6638 154.7423 154.8799 154.9473 155.0138 155.1122 155.2224 155.3691 155.4412 155.4855 155.6179 155.6523 155.6812 155.7750 155.8290 155.8740 155.9256 156.0598 156.1692 156.2474 156.2918 156.3077 156.4795 156.5124 156.5961 156.6968 156.7651 156.8243 156.8750 156.9490 157.0036 157.0982 157.1364 157.2197 157.2602 157.3341 157.4924 157.5342 157.5790 157.6814 157.7110 157.7927 157.8260 157.8582 157.9776 158.0585 158.1450 158.2103 158.3461 158.4162 158.4765 158.5599 158.5889 158.6654 158.7816 158.7981 158.8735 158.9266 159.0249 159.0604 159.1846 159.2473 159.3419 159.3891 159.5271 159.5616 159.7199 159.7828 159.8681 159.9667 159.9837 160.1839 160.2598 160.3545 160.3918 160.4473 160.5782 160.6415 160.6844 160.7748 160.8187 160.8634 160.9202 160.9594 161.0546 161.0776 161.1434 161.2768 161.3168 161.3526 161.4818 161.5664 161.6411 161.6886 161.7439 161.7486 161.7874 161.8809 161.9566 162.0126 162.0363 162.1963 162.2809 162.4261 162.5750 162.6040 162.6568 162.7352 162.7832 162.8325 162.9030 162.9465 162.9669 163.0753 163.1529 163.1884 163.2954 163.3284 163.4216 163.4484 163.5093 163.5548 163.6342 163.6575 163.6853 163.7977 163.8162 163.8875 163.9991 164.0379 164.0842 164.1652 164.1910 164.2383 164.3269 164.3771 164.4009 164.4774 164.5240 164.5541 164.5673 164.6170 164.6958 164.7211 164.7597 164.7940 164.8587 164.8887 164.9455 165.0298 165.0549 165.1234 165.1902 165.2834 165.2979 165.3306 165.4061 165.4544 165.4683 165.5263 165.6872 165.7209 165.7740 165.7866 165.8126 165.8812 166.0224 166.0440 166.0588 166.2078 166.2218 166.3234 166.3421 166.3826 166.4749 166.5504 166.5920 166.6279 166.6809 166.7536 166.7669 166.8297 166.8760 166.9020 166.9303 167.0187 167.0805 167.1197 167.1789 167.2154 167.2638 167.2760 167.3777 167.3932 167.4805 167.4896 167.5995 167.6885 167.7317 167.7954 167.8260 167.8907 167.9337 167.9622 168.0245 168.0629 168.0988 168.1369 168.1965 168.2480 168.2867 168.3406 168.3599 168.4168 168.4387 168.4849 168.5751 168.6254 168.6830 168.7475 168.7849 168.8261 168.8968 168.9052 168.9734 169.0010 169.0565 169.1033 169.2044 169.2473 169.2891 169.3159 169.3797 169.3919 169.4458 169.4590 169.5814 169.6125 169.6584 169.7012 169.7633 169.8423 169.8643 169.8970 169.9452 169.9515 169.9893 170.0769 170.0954 170.1440 170.2313 170.2497 170.3361 170.3552 170.3588 170.4227 170.4576 170.4796 170.5028 170.5737 170.7127 170.7265 170.7410 170.8184 170.8456 170.8563 170.9126 171.0133 171.0359 171.0859 171.1558 171.2025 171.2530 171.3125 171.3198 171.3747 171.4728 171.5110 171.5520 171.5670 171.6143 171.6391 171.7091 171.7823 171.8007 171.8328 171.8581 171.9057 171.9588 171.9743 172.0682 172.1764 172.2147 172.2805 172.2950 172.4319 172.5342 172.5889 172.6228 172.6638 172.7114 172.7568 172.7961 172.8794 172.9058 172.9838 173.0660 173.0841 173.1235 173.1622 173.2979 173.3237 173.3574 173.4010 173.4564 173.5362 173.5909 173.6026 173.6543 173.7516 173.7886 173.8332 173.9065 173.9306 173.9598 174.0532 174.0731 174.1364 174.1662 174.2100 174.2392 174.3379 174.3795 174.4629 174.5170 174.5607 174.5922 174.6820 174.6933 174.7607 174.7830 174.8711 174.9084 174.9638 175.0097 175.0487 175.1029 175.1273 175.2015 175.2942 175.3972 175.4126 175.4411 175.5406 175.5814 175.6394 175.6873 175.7240 175.8064 175.8308 175.8890 175.9280 176.0227 176.0595 176.0957 176.1596 176.2118 176.2970 176.3479 176.3749 176.4356 176.5160 176.5236 176.6049 176.6199 176.6697 176.6967 176.7400 176.8223 176.8464 176.9348 176.9757 177.0787 177.1159 177.1506 177.1863 177.2926 177.3948 177.4310 177.5009 177.5694 177.5836 177.6884 177.7132 177.7590 177.8078 177.8206 177.8792 177.9081 178.0163 178.1079 178.1694 178.1927 178.2167 178.2471 178.3347 178.3980 178.4312 178.4976 178.5894 178.6189 178.6491 178.7410 178.7792 178.8540 178.8683 178.9129 178.9936 179.0348 179.0984 179.1059 179.1378 179.2307 179.2462 179.2895 179.3954 179.4621 179.5040 179.5192 179.5321 179.5862 179.6420 179.7444 179.7614 179.8020 179.8887 179.9271 180.0077 180.0232 180.0866 180.1502 180.1814 180.2508 180.3063 180.3664 180.4405 180.4871 180.5483 180.6157 180.6250 180.7031 180.7194 180.8165 180.8443 180.9439 181.0531 181.1062 181.1438 181.2029 181.2273 181.2828 181.3700 181.4084 181.4523 181.4873 181.5150 181.6123 181.6759 181.6993 181.7176 181.7795 181.8436 181.8643 181.9063 181.9749 182.0574 182.1106 182.1558 182.1993 182.2342 182.2668 182.3404 182.4118 182.4515 182.5436 182.5648 182.6294 182.6912 182.7349 182.7906 182.8222 182.8449 182.9334 183.0266 183.0726 183.1023 183.1357 183.1566 183.2648 183.2874 183.4033 183.4266 183.4649 183.4965 183.5603 183.6032 183.6230 183.7529 183.8315 183.8371 183.9117 183.9627 183.9856 184.0749 184.1199 184.1752 184.2111 184.2704 184.3148 184.4013 184.4607 184.4970 184.5509 184.5637 184.5930 184.6293 184.7008 184.7657 184.8085 184.8311 184.8877 184.9527 184.9659 185.0284 185.0371 185.1103 185.1440 185.1619 185.2212 185.2379 185.3222 185.3263 185.4169 185.4815 185.5127 185.5394 185.6356 185.6877 185.7445 185.8233 185.8668 185.9297 185.9733 186.0407 186.0660 186.1454 186.1617 186.1925 186.2676 186.3456 186.3565 186.3706 186.4842 186.4907 186.5992 186.6317 186.7027 186.7853 186.8070 186.8350 186.9126 186.9894 187.0297 187.0688 187.1433 187.1741 187.2225 187.3248 187.3672 187.4181 187.4482 187.5881 187.6569 187.7114 187.7333 187.8024 187.8828 187.9672 188.0075 188.0866 188.1287 188.1975 188.3268 188.3993 188.4331 188.4554 188.6308 188.6415 188.7101 188.7559 188.8688 188.8940 188.9889 189.0309 189.0538 189.1090 189.2549 189.4486 189.5445 189.5837 189.5981 189.6493 189.7083 189.8108 189.8224 189.9191 189.9378 190.0678 190.1677 190.2626 190.3009 190.3816 190.4236 190.5016 190.5758 190.6249 190.6619 190.6833 190.7790 190.9115 190.9510 191.0358 191.0863 191.1613 191.1886 191.3006 191.3848 191.4635 191.4670 191.4969 191.5920 191.6901 191.8025 191.8295 191.9176 191.9636 192.0678 192.1935 192.2353 192.2796 192.3681 192.3740 192.4680 192.5992 192.6622 192.6864 192.7847 192.8366 192.8875 192.9805 193.0061 193.1067 193.1475 193.1731 193.3197 193.3753 193.4151 193.4866 193.5909 193.6179 193.7149 193.7467 193.8239 193.8723 193.9844 194.0135 194.0540 194.1332 194.1764 194.2127 194.3627 194.3912 194.5703 194.5963 194.6980 194.7454 194.7822 194.8143 194.8353 194.9344 195.0104 195.0618 195.1370 195.2012 195.2680 195.2996 195.3558 195.5919 195.6501 195.7300 195.7419 195.8587 195.9526 196.0330 196.0603 196.2121 196.3579 196.3908 196.4622 196.5347 196.5934 196.6333 196.6834 196.7541 196.8132 196.8316 196.9461 197.0811 197.1354 197.1783 197.2706 197.2908 197.3802 197.4640 197.5535 197.6487 197.7013 197.7919 197.8447 197.8912 197.9422 197.9558 198.0386 198.1453 198.2330 198.3242 198.3412 198.4204 198.5040 198.6099 198.7227 198.8196 198.9634 199.0327 199.1076 199.1465 199.2567 199.3003 199.4189 199.4676 199.5127 199.5551 199.7310 199.7494 199.8411 199.9346 200.0549 200.1836 200.2414 200.2597 200.3092 200.5106 200.6275 200.7440 200.7747 200.8641 200.9323 201.0285 201.2989 201.3441 201.4016 201.4512 201.5780 201.6395 201.7282 201.8613 201.9257 202.0748 202.0987 202.2582 202.3714 202.5216 202.5970 202.6143 202.7307 202.8776 202.8833 203.0092 203.1736 203.2908 203.3060 203.4427 203.4631 203.5856 203.7136 203.7743 203.8971 204.0221 204.0455 204.1223 204.1959 204.2750 204.4008 204.4406 204.5192 204.5888 204.7403 204.8160 204.9039 204.9820 205.0136 205.1276 205.1391 205.2465 205.3054 205.4399 205.5166 205.5752 205.6166 205.6548 205.7963 205.9405 206.0051 206.0376 206.0868 206.2950 206.3549 206.3854 206.4907 206.6589 206.7557 206.9018 206.9308 207.0198 207.0435 207.1468 207.1773 207.1951 207.3348 207.3418 207.4122 207.4705 207.5034 207.5276 207.7111 207.7412 207.7837 207.8406 207.8949 207.9566 208.0604 208.0798 208.2009 208.2819 208.3878 208.4335 208.5781 208.6389 208.7005 208.7857 208.8419 208.9096 208.9772 209.0630 209.1131 209.1499 209.2225 209.2435 209.2653 209.3594 209.3723 209.4543 209.4901 209.5529 209.6154 209.7289 209.7382 209.7657 209.8094 209.8347 209.9243 210.0009 210.0905 210.1212 210.2249 210.2889 210.4165 210.4836 210.5126 210.6254 210.7064 210.7494 210.8349 210.8571 210.8752 210.9493 211.0388 211.0659 211.1590 211.1642 211.3058 211.4015 211.4120 211.5429 211.6096 211.6509 211.7509 211.7715 211.8968 211.9337 212.0159 212.0705 212.1471 212.2106 212.2339 212.3062 212.4586 212.5340 212.5778 212.7182 212.8130 212.8720 212.8860 212.9393 213.0863 213.1722 213.2092 213.3263 213.4253 213.4903 213.5090 213.6468 213.6971 213.7775 213.9085 213.9286 214.0047 214.0616 214.1476 214.2575 214.3392 214.3986 214.4405 214.5448 214.6883 214.7010 214.7676 214.8021 214.8344 214.9372 214.9575 215.0561 215.1350 215.1882 215.2390 215.3837 215.4737 215.4935 215.5569 215.6349 215.7120 215.8300 215.8781 215.9394 216.0283 216.1088 216.1838 216.2946 216.3807 216.4399 216.5208 216.5766 216.5914 216.7522 216.8818 216.8969 217.0063 217.0296 217.0763 217.1561 217.2545 217.3162 217.4068 217.4929 217.5120 217.5801 217.6673 217.6937 217.7333 217.8087 217.8344 217.9023 217.9881 218.0429 218.0836 218.1511 218.2122 218.2921 218.4399 218.4676 218.5553 218.6529 218.6595 218.7437 218.7666 218.8531 218.9373 219.0367 219.0539 219.1026 219.2684 219.3582 219.4159 219.4893 219.5090 219.6155 219.6695 219.7660 219.8092 219.8561 219.9414 219.9887 220.0786 220.1414 220.2348 220.2620 220.3123 220.3675 220.4045 220.4389 220.5033 220.5865 220.6771 220.7236 220.7996 220.8321 220.9058 220.9598 221.0275 221.0759 221.0768 221.1431 221.2691 221.3293 221.3840 221.4081 221.4968 221.5254 221.6353 221.6697 221.6919 221.7934 221.8002 221.8762 221.9176 221.9702 221.9853 222.1047 222.1330 222.1930 222.2028 222.2897 222.3942 222.4629 222.5151 222.5776 222.7081 222.7697 222.8278 222.8763 222.9546 223.0189 223.0506 223.0937 223.1511 223.2390 223.2823 223.3691 223.4672 223.6364 223.6849 223.7187 223.8412 223.8828 223.9498 223.9948 224.0849 224.1626 224.2140 224.2768 224.3184 224.3859 224.4232 224.5245 224.6043 224.6657 224.7200 224.7654 224.8614 224.8653 224.9252 224.9779 225.0104 225.0409 225.1638 225.1998 225.3541 225.4845 225.5172 225.5456 225.5878 225.6189 225.7123 225.7487 225.7931 225.8882 226.0824 226.1170 226.1335 226.2350 226.3281 226.4160 226.4928 226.5731 226.6571 226.7197 226.7995 226.9591 227.0538 227.1187 227.1642 227.2454 227.2754 227.2970 227.3323 227.4628 227.5573 227.5842 227.6295 227.7049 227.7511 227.8595 227.9091 227.9579 227.9791 228.0709 228.1585 228.1866 228.2395 228.3245 228.3659 228.4070 228.4821 228.5505 228.5643 228.6498 228.7117 228.7674 228.8157 228.8434 228.9791 229.0094 229.0585 229.1060 229.1220 229.2391 229.3239 229.3483 229.4037 229.4513 229.5847 229.6786 229.7223 229.7535 229.8197 229.8714 229.9669 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