Orca 5.0.2 RELEASE 1 2 3 4 11s6p2d1f 11s6p2d1f 5s2p1d 7s7p6d2f1g 5s3p2d1f 5s3p2d1f 3s2p1d 6s4p3d2f1g 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 O O 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 Ag 1 1 2 2 2 2 2 2 2 2 2 2 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 1 Ag ECP Def2-ECP 53 Ag 1 1 Ag ECP Def2-ECP 53 Ag 1 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3C3C3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;;/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 1546 RIJ-COSX (HFX calculated with COS-X)) on IntName exo_THC_Ag_Iso3_4 HFTyp RHF Charge 1 Mult 1 NEL 190 Dim 1189 ENuc 2590.1672412772 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 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 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 TolErr 5.000e-07 Smallest eigenvalue 3.935e-06 Time for diagonalization 0.214 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.144 sec Total time needed 0.363 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 1546 RIJ-COSX (HFX calculated with COS-X)) on IntName exo_THC_Ag_Iso3_4 HFTyp RHF Charge 1 Mult 1 NEL 190 Dim 1189 ENuc 2572.3610613398 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 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 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 TolErr 5.000e-07 Smallest eigenvalue 4.178e-06 Time for diagonalization 0.165 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.151 sec Total time needed 0.320 sec 8 8 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 1 1 1 1 1 47 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3C3C3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 1 1 wB97X-D3 Opt Freq def2-TZVPP def2/J RIJCOSX TightSCF defgrid3 CHELPG maxcore 5120 pal nprocs 16 chelpg grid 0.1 rmax 3.0 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3C3C3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3C3C3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3C3C3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3C3C3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 392.09169999999983 AuxInfo=1/0/N:23,17,12,13,22,21,20,19,9,6,7,18,15,10,16,4,3,14,11,8,5,2,1;54/E:(3,4);/CRV:2.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3;/rA:54OOCCCCCC3CC3C3CCC3C3C3CC3CCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHAg/rB:;;s3;s1s3;s3;s4;s4;s6;s7s9;s1s8;s5;s5;s2s8;s11;s15;s10;s14s16;s16;s19;s20;s21;s22;s3;s4;s6;s6;s7;s7;s9;s9;s12;s12;s12;s13;s13;s13;s15;s17;s17;s18;s19;s19;s20;s20;s21;s21;s22;s22;s23;s23;s23;s2;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; -1115.702061152627 -1115.705463898973 -1115.706904141732 -1115.707614402423 -1115.708011417614 -1115.708258388970 -1115.708421781976 -1115.708505718890 -1115.708567308912 -1115.708616204778 -1115.708656526782 -1115.708699499732 -1115.708758863227 -1115.708841546997 -1115.708951403371 -1115.709104888282 -1115.709275248701 -1115.709479351631 -1115.709695191987 -1115.709936123524 -1115.710199847860 -1115.710412766079 -1115.710615386223 -1115.710820264890 -1115.711007698193 -1115.711253112853 -1115.711427486341 -1115.711606566944 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87.2911 87.5331 87.5951 87.7463 87.8136 87.9163 88.0361 88.2221 88.2734 88.3966 88.7186 88.8533 88.9728 89.1284 89.2466 89.3852 89.6394 89.7450 89.8690 90.1038 90.1672 90.3416 90.5068 90.6885 90.7678 90.9416 91.0207 91.3311 91.3598 91.4583 91.5937 91.8513 91.9107 91.9526 92.1237 92.1765 92.3331 92.5032 92.6370 92.7896 92.9613 93.0665 93.3552 93.4138 93.4755 93.7009 93.8610 93.9152 94.0102 94.2329 94.3402 94.4529 94.5478 94.7628 94.8389 94.9652 95.1665 95.2582 95.2958 95.4275 95.6172 95.6771 95.8875 95.9340 96.1868 96.2706 96.4339 96.6974 96.7658 96.8046 97.1171 97.1581 97.2111 97.3320 97.5311 97.5900 97.7355 97.9607 97.9876 98.2289 98.3566 98.5740 98.7385 98.8374 98.9889 99.0916 99.2083 99.2456 99.3941 99.5433 99.7332 99.9724 100.0918 100.2173 100.3919 100.4402 100.5086 100.8073 100.9488 101.1754 101.2176 101.3400 101.4272 101.4576 101.6887 101.8550 101.9801 102.1176 102.3527 102.4795 102.6315 102.8337 102.9734 103.1221 103.3322 103.4626 103.5172 103.7916 103.9609 104.1047 104.1983 104.2018 104.4124 104.4779 104.7338 104.8649 104.9276 105.1219 105.3370 105.3648 105.5438 105.7475 105.8475 106.0267 106.1282 106.1556 106.4343 106.5997 106.7738 107.0243 107.1055 107.2308 107.4745 107.6589 107.8978 107.9686 108.0814 108.1564 108.2010 108.4711 108.5832 108.8470 108.9883 109.0724 109.2552 109.4052 109.5041 109.5547 109.7502 109.9350 110.0726 110.1999 110.3623 110.4843 110.5803 110.7452 111.0330 111.0827 111.2717 111.3437 111.4470 111.5429 111.6371 111.6560 111.8609 111.9478 112.0735 112.1746 112.1943 112.3784 112.4222 112.7579 112.7891 112.8994 112.9614 113.0312 113.2417 113.2657 113.4836 113.8177 113.8927 114.0329 114.0929 114.1311 114.3640 114.6058 114.7656 114.7797 115.0113 115.0274 115.3683 115.4523 115.5687 115.6514 115.7010 115.8712 115.9583 116.2471 116.5098 116.6708 116.7369 116.8032 116.8940 117.0599 117.3791 117.5635 117.6248 117.7585 117.8908 118.1336 118.2274 118.5007 118.5075 118.8053 118.8940 118.9993 119.2722 119.3732 119.4987 119.5775 119.6895 119.8257 119.9122 120.1039 120.3003 120.4738 120.6897 120.8234 121.1339 121.1615 121.3856 121.6248 121.8917 121.9370 122.2916 122.4098 122.5140 122.6542 122.9562 123.0436 123.3491 123.5677 123.6429 123.7736 124.1325 124.2587 124.2659 124.5012 124.6693 124.8057 125.2824 125.4527 125.6963 125.8820 126.1796 126.2165 126.2416 126.6785 126.7528 127.0378 127.2542 127.4300 127.4664 127.7540 127.8351 127.9784 128.4209 128.6789 128.8508 128.9802 129.1115 129.2680 129.4340 129.8644 130.0181 130.1351 130.3658 130.4579 130.6640 130.9485 131.0023 131.2287 131.6975 131.8103 131.8595 131.9002 132.1611 132.3368 132.4250 132.5207 132.9044 133.0651 133.1513 133.4176 133.4757 133.5678 133.8288 133.9490 134.1114 134.4111 134.6601 135.0486 135.2169 135.2290 135.6005 135.6747 135.9103 136.0233 136.1422 136.2750 136.4018 136.4731 136.7158 137.0753 137.0925 137.2653 137.4530 137.5870 137.8382 138.1317 138.1856 138.2614 138.3131 138.6677 138.7972 139.0676 139.3206 139.3838 139.8565 140.0074 140.1405 140.6466 140.8655 141.1011 141.2686 141.3273 141.6539 141.7376 141.8574 142.0272 142.5014 142.8438 143.2195 143.3100 143.5573 143.7956 143.9003 144.0578 144.6358 144.7516 145.0985 145.2212 145.3794 145.5716 145.6441 145.9562 146.0670 146.2267 146.4061 146.6016 146.9925 147.1683 147.3448 147.6110 148.1345 148.3443 148.4006 148.5613 148.8249 148.9663 149.0125 149.1944 149.3265 149.4569 149.6230 149.6596 149.7023 150.1021 150.1699 150.2728 150.3930 150.4436 150.7228 150.7996 150.9047 151.0364 151.1339 151.2027 151.3796 151.5165 151.6394 151.7798 151.8785 152.2243 152.3132 152.3717 152.4312 152.7950 153.2952 153.9802 154.2413 154.5015 154.5516 154.7881 155.0250 155.2784 155.4843 155.6195 155.7396 156.0141 156.0648 156.2673 156.6896 156.8232 156.9826 157.3548 157.7706 158.0069 158.0587 158.8460 159.2328 159.9514 160.0618 160.3419 160.7881 161.3760 162.0454 162.7455 164.8386 165.4828 166.5283 169.4550 171.2321 176.6797 176.8874 180.2727 183.4783 183.8929 184.1995 186.6907 187.7214 188.6306 192.8811 193.0730 200.9255 203.4954 206.2413 207.0773 622.3103 623.8949 625.3464 629.1774 630.5028 631.4640 634.8873 634.9588 635.5612 636.1714 637.3776 637.8286 638.7465 638.8612 640.4705 640.9040 643.3658 643.8353 645.1373 648.8882 651.5383 935.8349 1202.9737 1215.5796 3028.2643 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 44 45 46 47 48 49 50 51 52 53 O O 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 Ag -0.275978 -0.290039 -0.126399 0.110587 0.326023 -0.202273 -0.169782 -0.361801 -0.145983 0.060716 0.331613 -0.326527 -0.276651 0.364633 -0.368067 0.126365 -0.318653 -0.288281 -0.115217 -0.177158 -0.142734 -0.112964 -0.177395 0.109593 0.118522 0.104553 0.105449 0.126426 0.136694 0.104924 0.120158 0.117181 0.098247 0.107262 0.093822 0.101144 0.115756 0.128925 0.183491 0.138260 0.095254 0.096426 0.103695 0.076321 0.107362 0.063148 0.111716 0.091526 0.092644 0.060032 0.039551 0.127760 0.192853 0.287271 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 O O 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 Ag 0.332870 0.379806 -0.063467 -0.031388 -0.227165 0.015898 0.027924 -0.083629 0.016374 -0.038739 -0.186617 0.035485 0.029411 -0.183425 -0.006423 -0.065129 0.015566 -0.029692 0.003317 -0.014601 -0.021350 -0.020845 0.037207 0.048183 0.043021 0.029295 0.028851 0.045096 0.025824 0.037163 0.044920 0.029228 0.018400 0.026740 0.024076 0.020545 0.028369 0.033076 0.029204 0.023466 0.025319 0.035148 0.033551 0.018439 0.026294 0.021437 0.026201 0.029023 0.025860 0.025842 0.029099 0.026607 -0.099195 0.319526 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 O O 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 Ag 8.2760 8.2900 6.1264 5.8894 5.6740 6.2023 6.1698 6.3618 6.1460 5.9393 5.6684 6.3265 6.2767 5.6354 6.3681 5.8736 6.3187 6.2883 6.1152 6.1772 6.1427 6.1130 6.1774 0.8904 0.8815 0.8954 0.8946 0.8736 0.8633 0.8951 0.8798 0.8828 0.9018 0.8927 0.9062 0.8989 0.8842 0.8711 0.8165 0.8617 0.9047 0.9036 0.8963 0.9237 0.8926 0.9369 0.8883 0.9085 0.9074 0.9400 0.9604 0.8722 0.8071 18.7127 8.0000 8.0000 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 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 19.0000 -0.2760 -0.2900 -0.1264 0.1106 0.3260 -0.2023 -0.1698 -0.3618 -0.1460 0.0607 0.3316 -0.3265 -0.2767 0.3646 -0.3681 0.1264 -0.3187 -0.2883 -0.1152 -0.1772 -0.1427 -0.1130 -0.1774 0.1096 0.1185 0.1046 0.1054 0.1264 0.1367 0.1049 0.1202 0.1172 0.0982 0.1073 0.0938 0.1011 0.1158 0.1289 0.1835 0.1383 0.0953 0.0964 0.1037 0.0763 0.1074 0.0631 0.1117 0.0915 0.0926 0.0600 0.0396 0.1278 0.1929 0.2873 2.1694 2.1852 3.7041 3.7014 3.6810 3.8979 3.8908 3.7640 3.9438 3.4213 3.8843 3.9670 3.9330 3.8156 4.0613 3.6113 3.9434 3.9421 3.8845 3.8611 3.8459 3.8965 3.9398 1.0141 1.0028 1.0163 1.0099 1.0133 1.0444 1.0099 1.0084 1.0097 0.9994 1.0032 1.0037 1.0014 1.0139 1.0251 1.0124 1.0335 1.0295 1.0095 1.0097 1.0027 1.0139 1.0169 1.0060 1.0069 1.0107 1.0047 1.0098 1.0155 1.0449 1.3568 2.1694 2.1852 3.7041 3.7014 3.6810 3.8979 3.8908 3.7640 3.9438 3.4213 3.8843 3.9670 3.9330 3.8156 4.0613 3.6113 3.9434 3.9421 3.8845 3.8611 3.8459 3.8965 3.9398 1.0141 1.0028 1.0163 1.0099 1.0133 1.0444 1.0099 1.0084 1.0097 0.9994 1.0032 1.0037 1.0014 1.0139 1.0251 1.0124 1.0335 1.0295 1.0095 1.0097 1.0027 1.0139 1.0169 1.0060 1.0069 1.0107 1.0047 1.0098 1.0155 1.0449 1.3568 -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 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.8203 1.1925 1.1263 0.9945 0.8175 0.9218 0.8795 1.0557 0.8603 1.0127 0.9664 0.9326 0.9321 0.9081 1.0227 1.0223 0.8945 1.0112 1.0600 1.2212 1.1963 0.2792 0.9647 1.0120 0.9929 1.5119 0.1959 1.3832 0.9893 0.9788 0.9888 0.9858 0.9930 0.9916 1.4564 1.4015 0.9949 1.3233 0.9006 0.9954 1.0284 0.3296 0.9726 0.9170 1.0096 1.0097 0.8917 1.0221 0.9901 0.9195 1.0142 0.9883 0.9254 1.0012 1.0056 0.9450 0.9100 0.9917 0.1261 0 4 0 10 1 13 1 52 2 3 2 4 2 5 2 23 3 6 3 7 3 24 4 11 4 12 5 8 5 25 5 26 6 9 6 27 6 28 7 10 7 13 7 53 8 9 8 29 8 30 9 16 9 53 10 14 11 31 11 32 11 33 12 34 12 35 12 36 13 17 14 15 14 37 15 17 15 18 16 38 16 39 16 53 17 40 18 19 18 41 18 42 19 20 19 43 19 44 20 21 20 45 20 46 21 22 21 47 21 48 22 49 22 50 22 51 22 53 -0.034613369 -1115.711877281871 -20.36435 20.21720 -0.14715 88.76246 -89.75219 -0.98973 -4.18952 4.54898 0.35946 1.06321 2.70248 298.15 1.00 422.34 -1115.71187728 0.47481980 0.02138135 0.00141627 0.00141627 -1115.21284360 0.02421389 0.47481980 0.49903369 -1115.21284360 0.00094421 -1115.21189939 -1115.21189939 -0.07462258 -1115.28652197 0.42535531