Orca 5.0.2 RELEASE 1 2 3 4 5 6 14s9p3d1f 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s5p3d1f 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 S P O O O O O N 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 1 2 3 3 3 3 3 4 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 313.1815609999998 AuxInfo=1/0/N:21,13,14,18,19,20,17,16,15,9,11,12,10,8,5,6,7,4,3,2,1/E:(2,3)(16,17)/CRV:7.3,8.3,9.3,11.3,12.3,13.3,16.1,17.1,20.4/rA:44SP4OOOO1O1NCC3C3C3CCC3C3C3CCCCHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s2;s1;s1;s2;s8;s1;s10;s3;s9;s9;s11s12;s10;s12s16;s11;s1;s4;s20;s9;s8;s13;s13;s13;s14;s14;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s21;s21;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 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 1286 RIJ-COSX (HFX calculated with COS-X)) on IntName FENAMIPHOS_SULFONE_1 HFTyp RHF Charge 1 Mult 1 NEL 178 Dim 995 ENuc 2179.5313837418 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 20 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-05 Converg. threshold II (energy diff.) 1.000e-08 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 on SOSCFMaxIt 150 SOSCFStart 0.003300 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 2.500e-11 Eh TCut 2.500e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-08 Eh 1-El. energy change 1.000e-05 Eh TolG 1.000e-05 TolX 1.000e-05 TolErr 5.000e-07 Smallest eigenvalue 5.145e-06 Time for diagonalization 0.183 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.138 sec Total time needed 0.324 sec 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 1286 RIJ-COSX (HFX calculated with COS-X)) on IntName FENAMIPHOS_SULFONE_1 HFTyp RHF Charge 1 Mult 1 NEL 178 Dim 995 ENuc 2176.6979871688 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-05 Converg. threshold II (energy diff.) 1.000e-08 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 on SOSCFMaxIt 150 SOSCFStart 0.003300 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 2.500e-11 Eh TCut 2.500e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-08 Eh 1-El. energy change 1.000e-05 Eh TolG 1.000e-05 TolX 1.000e-05 TolErr 5.000e-07 Smallest eigenvalue 5.194e-06 Time for diagonalization 0.181 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.282 sec Total time needed 0.467 sec 1 1 wB97X-D3 TightOpt Freq def2-TZVPP def2/J RIJCOSX TightSCF defgrid3 maxcore 6144 pal nprocs 8 chelpg grid 0.1 rmax 3.0 313.1815609999998 AuxInfo=1/0/N:21,13,14,18,19,20,17,16,15,9,11,12,10,8,5,6,7,4,3,2,1/E:(2,3)(16,17)/CRV:7.3,8.3,9.3,11.3,12.3,13.3,16.1,17.1,20.4/rA:44SP4OOOO1O1NCC3C3C3CCC3C3C3CCCCHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s2;s1;s1;s2;s8;s1;s10;s3;s9;s9;s11s12;s10;s12s16;s11;s1;s4;s20;s9;s8;s13;s13;s13;s14;s14;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s21;s21;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 313.1815609999998 AuxInfo=1/0/N:21,13,14,18,19,20,17,16,15,9,11,12,10,8,5,6,7,4,3,2,1/E:(2,3)(16,17)/CRV:7.3,8.3,9.3,11.3,12.3,13.3,16.1,17.1,20.4/rA:44SP4OOOO1O1NCC3C3C3CCC3C3C3CCCCHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s2;s1;s1;s2;s8;s1;s10;s3;s9;s9;s11s12;s10;s12s16;s11;s1;s4;s20;s9;s8;s13;s13;s13;s14;s14;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s21;s21;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 313.1815609999998 AuxInfo=1/0/N:21,13,14,18,19,20,17,16,15,9,11,12,10,8,5,6,7,4,3,2,1/E:(2,3)(16,17)/CRV:7.3,8.3,9.3,11.3,12.3,13.3,16.1,17.1,20.4/rA:44SP4OOOO1O1NCC3C3C3CCC3C3C3CCCCHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s2;s1;s1;s2;s8;s1;s10;s3;s9;s9;s11s12;s10;s12s16;s11;s1;s4;s20;s9;s8;s13;s13;s13;s14;s14;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s21;s21;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 313.1815609999998 AuxInfo=1/0/N:21,13,14,18,19,20,17,16,15,9,11,12,10,8,5,6,7,4,3,2,1/E:(2,3)(16,17)/CRV:7.3,8.3,9.3,11.3,12.3,13.3,16.1,17.1,20.4/rA:44SP4OOOO1O1NCC3C3C3CCC3C3C3CCCCHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s2;s1;s1;s2;s8;s1;s10;s3;s9;s9;s11s12;s10;s12s16;s11;s1;s4;s20;s9;s8;s13;s13;s13;s14;s14;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s21;s21;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 313.1815609999998 AuxInfo=1/0/N:21,13,14,18,19,20,17,16,15,9,11,12,10,8,5,6,7,4,3,2,1/E:(2,3)(16,17)/CRV:7.3,8.3,9.3,11.3,12.3,13.3,16.1,17.1,20.4/rA:44SP4OOOO1O1NCC3C3C3CCC3C3C3CCCCHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s2;s1;s1;s2;s8;s1;s10;s3;s9;s9;s11s12;s10;s12s16;s11;s1;s4;s20;s9;s8;s13;s13;s13;s14;s14;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s21;s21;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 313.1815609999998 AuxInfo=1/0/N:21,13,14,18,19,20,17,16,15,9,11,12,10,8,5,6,7,4,3,2,1/E:(2,3)(16,17)/CRV:7.3,8.3,9.3,11.3,12.3,13.3,16.1,17.1,20.4/rA:44SP4OOOO1O1NCC3C3C3CCC3C3C3CCCCHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s2;s1;s1;s2;s8;s1;s10;s3;s9;s9;s11s12;s10;s12s16;s11;s1;s4;s20;s9;s8;s13;s13;s13;s14;s14;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s21;s21;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 313.1815609999998 AuxInfo=1/0/N:21,13,14,18,19,20,17,16,15,9,11,12,10,8,5,6,7,4,3,2,1/E:(2,3)(16,17)/CRV:7.3,8.3,9.3,11.3,12.3,13.3,16.1,17.1,20.4/rA:44SP4OOOO1O1NCC3C3C3CCC3C3C3CCCCHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s2;s1;s1;s2;s8;s1;s10;s3;s9;s9;s11s12;s10;s12s16;s11;s1;s4;s20;s9;s8;s13;s13;s13;s14;s14;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s21;s21;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 313.1815609999998 AuxInfo=1/0/N:21,13,14,18,19,20,17,16,15,9,11,12,10,8,5,6,7,4,3,2,1/E:(2,3)(16,17)/CRV:7.3,8.3,9.3,11.3,12.3,13.3,16.1,17.1,20.4/rA:44SP4OOOO1O1NCC3C3C3CCC3C3C3CCCCHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s2;s1;s1;s2;s8;s1;s10;s3;s9;s9;s11s12;s10;s12s16;s11;s1;s4;s20;s9;s8;s13;s13;s13;s14;s14;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s21;s21;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 313.1815609999998 AuxInfo=1/0/N:21,13,14,18,19,20,17,16,15,9,11,12,10,8,5,6,7,4,3,2,1/E:(2,3)(16,17)/CRV:7.3,8.3,9.3,11.3,12.3,13.3,16.1,17.1,20.4/rA:44SP4OOOO1O1NCC3C3C3CCC3C3C3CCCCHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s2;s1;s1;s2;s8;s1;s10;s3;s9;s9;s11s12;s10;s12s16;s11;s1;s4;s20;s9;s8;s13;s13;s13;s14;s14;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s21;s21;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; -1679.669869031152 -1679.669888947413 -1679.669891399608 -1679.669886328794 -1679.669880526979 -1679.669873872529 -1679.669869959454 -1679.669868630621 -1679.669866625634 -1679.669866880628 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 S P O O O O O N 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 0.742264 0.293359 0.196301 0.140416 0.244319 -0.240467 -0.243886 0.182605 -0.147311 -0.192867 -0.060385 -0.199104 0.020081 0.021594 0.005209 0.010006 -0.017777 0.035404 -0.091152 -0.071382 0.018558 0.027749 -0.027310 0.029569 0.020754 0.013918 0.018291 0.028622 0.019441 0.029738 0.035505 0.030127 0.021486 0.036686 0.021527 0.021690 0.009107 0.002492 0.010705 0.021389 0.032035 0.023937 0.019551 -0.092792 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 S P O O O O O N 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 15.1703 14.2007 8.2807 8.2854 8.2759 8.4469 8.4589 7.1832 5.9854 6.1777 5.9782 5.7741 6.2158 6.2155 6.1105 5.9894 6.2790 6.2199 6.2743 6.0318 6.2003 0.9242 0.8268 0.8923 0.9085 0.9135 0.9007 0.8952 0.9146 0.8841 0.8376 0.8443 0.9154 0.8570 0.8915 0.8550 0.8777 0.8820 0.8904 0.8608 0.8993 0.9000 0.9129 0.7624 16.0000 15.0000 8.0000 8.0000 8.0000 8.0000 8.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.8297 0.7993 -0.2807 -0.2854 -0.2759 -0.4469 -0.4589 -0.1832 0.0146 -0.1777 0.0218 0.2259 -0.2158 -0.2155 -0.1105 0.0106 -0.2790 -0.2199 -0.2743 -0.0318 -0.2003 0.0758 0.1732 0.1077 0.0915 0.0865 0.0993 0.1048 0.0854 0.1159 0.1624 0.1557 0.0846 0.1430 0.1085 0.1450 0.1223 0.1180 0.1096 0.1392 0.1007 0.1000 0.0871 0.2376 5.6671 5.5477 2.1881 2.1933 2.3016 2.0255 2.0408 3.1386 3.9050 3.9401 3.8545 3.6846 3.9320 3.9295 4.0475 3.8830 4.0275 3.9295 3.9004 3.8288 3.9588 1.0101 1.0221 1.0104 1.0071 1.0075 1.0099 1.0103 1.0078 1.0249 1.0210 1.0013 1.0066 0.9976 0.9988 1.0160 1.0125 1.0096 0.9914 0.9895 1.0078 1.0049 1.0076 1.0240 5.6671 5.5477 2.1881 2.1933 2.3016 2.0255 2.0408 3.1386 3.9050 3.9401 3.8545 3.6846 3.9320 3.9295 4.0475 3.8830 4.0275 3.9295 3.9004 3.8288 3.9588 1.0101 1.0221 1.0104 1.0071 1.0075 1.0099 1.0103 1.0078 1.0249 1.0210 1.0013 1.0066 0.9976 0.9988 1.0160 1.0125 1.0096 0.9914 0.9895 1.0078 1.0049 1.0076 1.0240 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 1.8498 1.8712 0.8930 0.9240 1.2837 1.3583 1.3094 1.3236 0.7392 0.8062 0.9589 0.8254 0.9437 0.9741 0.9869 1.0062 1.3468 1.4391 1.4514 0.9462 1.4486 1.3937 0.9909 0.9758 0.9911 0.9869 0.9903 0.9743 0.9333 1.4033 0.9271 0.9801 0.9886 0.9659 0.9853 0.9545 0.9610 0.9605 0.9925 0.9781 0.9738 0.9771 0.9874 0.9852 0 5 0 6 0 9 0 18 1 2 1 3 1 4 1 7 2 11 3 19 4 43 7 8 7 22 8 12 8 13 8 21 9 10 9 15 10 14 10 17 11 14 11 16 12 23 12 24 12 25 13 26 13 27 13 28 14 29 15 16 15 30 16 31 17 32 17 33 17 34 18 35 18 36 18 37 19 20 19 38 19 39 20 40 20 41 20 42 1.0000000 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 S P O O O O O N 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 0.829734 0.799252 -0.280713 -0.285436 -0.275861 -0.446923 -0.458861 -0.183153 0.014589 -0.177737 0.021805 0.225892 -0.215780 -0.215522 -0.110539 0.010592 -0.279022 -0.219933 -0.274342 -0.031758 -0.200336 0.075833 0.173215 0.107746 0.091508 0.086492 0.099257 0.104821 0.085376 0.115912 0.162420 0.155717 0.084587 0.143010 0.108544 0.144968 0.122322 0.118024 0.109646 0.139199 0.100712 0.100038 0.087124 0.237583 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 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13.4227 13.4463 13.6346 13.7308 13.8012 13.9635 14.1385 14.2822 14.3542 14.5002 14.7473 14.9460 15.0828 15.1230 15.2820 15.3074 15.6847 15.7498 16.0315 16.2777 16.3478 16.5778 16.7976 16.8332 17.0822 17.2009 17.3725 17.5057 17.7003 17.8419 18.0926 18.2346 18.3975 18.5411 18.6427 18.7099 19.1094 19.2968 19.5787 19.6550 19.7424 19.9351 19.9656 20.2664 20.4384 20.5637 20.6977 20.8821 21.0490 21.2437 21.3439 21.4724 21.5999 22.0425 22.1020 22.2393 22.4832 22.6045 22.7390 22.8724 22.9519 23.1158 23.4088 23.4682 23.6310 23.7034 23.7539 23.7826 24.0341 24.1086 24.2932 24.4141 24.5965 24.8926 25.0394 25.0692 25.2018 25.4785 25.5204 25.6264 25.7015 26.0750 26.0958 26.2463 26.3149 26.4178 26.5388 26.8895 27.1476 27.2542 27.4587 27.4958 27.6399 27.7848 27.8942 27.9255 28.2017 28.4638 28.7396 28.8004 28.9190 29.2816 29.4010 29.5225 29.7281 29.8654 30.0005 30.1558 30.2692 30.5464 30.6062 30.8515 31.0287 31.2648 31.3755 31.5415 31.6267 31.8005 31.8772 32.0979 32.1895 32.4456 32.6315 32.7580 33.0191 33.0375 33.2067 33.4212 33.4821 33.6507 33.8885 34.1607 34.2001 34.3359 34.4787 34.6986 34.9060 35.2590 35.4000 35.5386 35.6163 35.9284 36.0288 36.2538 36.3781 36.5776 36.6430 36.8229 37.0495 37.2058 37.2390 37.5104 37.6146 37.6787 37.8663 37.8867 37.9943 38.1108 38.3000 38.3583 38.3896 38.4986 38.5998 38.9194 38.9940 39.2431 39.3094 39.4753 39.5569 39.7799 39.8851 40.0233 40.2175 40.3584 40.3715 40.5148 40.5651 40.8989 40.9160 40.9929 41.1687 41.5572 41.6517 41.6892 41.9151 42.2185 42.3919 42.4564 42.5552 42.6169 42.7989 42.9612 43.0763 43.1743 43.4022 43.6414 43.7586 43.9514 44.2318 44.5006 44.7016 44.7966 45.0668 45.2084 45.3574 45.4163 45.5731 45.8600 46.0779 46.2720 46.4241 46.6576 46.9268 47.4481 47.6316 47.9711 48.1201 48.5480 48.6940 48.9269 49.8966 50.5204 50.6590 50.9547 51.0998 51.4276 51.4557 51.7250 51.9115 52.1347 52.2897 52.7518 52.9181 53.1255 53.3472 53.4952 53.7298 54.2007 54.3134 54.6803 54.8025 55.1895 55.4433 55.4634 55.5206 56.0139 56.2239 56.4980 56.7462 57.0427 57.0642 57.7305 58.0639 58.3722 58.4171 58.8479 59.0876 59.1395 59.6109 59.9019 60.2010 60.3627 60.6673 60.7621 60.9483 61.2495 61.4405 62.0847 62.2501 62.4233 62.7009 62.9167 63.0744 63.5300 63.7455 63.7929 64.2290 64.4054 64.7947 65.0651 65.3396 65.8686 66.1642 66.3838 66.4641 66.7275 67.0756 67.4157 67.5162 67.8405 68.1293 68.2406 68.4162 68.6710 68.8176 69.0163 69.2525 69.3656 69.5775 69.6795 69.8856 70.2743 70.5180 70.8783 70.9746 71.1433 71.6817 71.8097 72.2978 72.3545 72.4400 72.7317 73.0942 73.4827 73.8288 74.0014 74.1006 74.3179 74.4947 75.1642 75.1719 75.2708 75.3128 75.4553 75.7790 75.8824 76.1587 76.2344 76.2972 76.4403 76.5349 76.7070 77.1878 77.3209 77.4130 77.4813 77.8575 77.9082 78.0767 78.2026 78.4508 78.4924 78.6996 79.0735 79.1513 79.2262 79.4858 79.5217 79.7520 79.9105 80.0817 80.2310 80.3926 80.5409 80.6565 80.7215 80.8111 80.8695 81.0631 81.1045 81.5500 81.6605 81.8043 81.9882 82.2235 82.2884 82.4197 82.5445 82.6613 82.9310 83.1496 83.3050 83.3917 83.6687 83.9623 84.1579 84.2632 84.3570 84.4414 84.7877 84.8826 85.1212 85.1461 85.3945 85.4847 85.6750 85.7698 85.9319 85.9951 86.1893 86.2836 86.4000 86.4248 86.6647 86.7428 87.2091 87.2587 87.3905 87.4703 87.5836 87.8250 88.0164 88.1528 88.3022 88.5315 88.8633 89.0010 89.5224 89.5980 89.6693 89.7808 89.9670 90.1305 90.1915 90.3860 90.4918 90.6594 90.9089 90.9342 91.1467 91.4360 91.5312 91.9409 92.0045 92.2844 92.4131 92.6122 92.8825 93.2865 93.4268 93.6049 93.6318 93.7445 94.0056 94.2252 94.3614 94.5113 94.8817 95.0114 95.1293 95.2686 95.3855 95.5338 95.8210 96.0719 96.1021 96.2583 96.6675 96.9530 97.0235 97.1371 97.2348 97.3491 97.6259 97.7334 97.8731 98.0464 98.3347 98.4379 98.5904 98.8435 99.0581 99.1549 99.2474 99.4722 99.6270 100.0587 100.3192 100.4813 100.5470 100.7705 100.9180 101.1999 101.4074 101.8386 101.9882 102.0909 102.2132 102.5151 102.7445 103.0244 103.0910 103.5074 103.5735 103.8492 104.0355 104.1544 104.5149 104.7865 104.8480 105.0410 105.4651 105.6424 105.8640 105.9911 106.0575 106.3068 106.3772 106.5408 106.7707 106.9899 107.2099 107.2666 107.5128 107.6215 107.8051 107.9514 107.9739 108.3684 108.5298 109.0095 109.0594 109.2598 109.2914 109.4843 109.5083 109.6279 109.7668 109.8726 109.9996 110.0982 110.2698 110.4893 110.5175 110.6804 110.8121 110.9647 111.0733 111.3393 111.3981 111.6459 111.7261 111.9456 112.0306 112.1967 112.2814 112.4730 112.6993 112.7842 112.9843 113.0939 113.2573 113.6232 113.9506 114.2187 114.4007 114.5479 115.0040 115.0601 115.3131 115.4097 115.5433 115.6733 115.9817 116.1795 116.2388 116.6103 116.8126 117.1902 117.4168 117.6044 117.8052 117.8438 117.9230 118.0922 118.3003 118.6340 118.8618 118.9953 119.1965 119.3881 119.5730 120.7995 121.5734 121.6878 121.9422 122.1912 122.3401 122.6288 122.7581 123.0131 123.4817 123.6758 124.2384 124.4328 124.6340 124.8064 125.0671 125.1460 125.5362 125.8715 126.4038 126.9961 127.1134 127.7269 127.9031 128.1888 128.4096 128.6827 128.9354 129.0069 129.3088 129.3276 129.4611 130.0187 130.1036 130.4016 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