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 O O N 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 1 1 2 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 4 226.16599999999988 AuxInfo=1/0/N:13,10,17,16,11,9,15,14,8,6,4,12,5,7,18,3,1,2/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.4,18.1/rA:34OO1N4C3C3C3C3C3C3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;s3s4;s4;s3;s5;s6;s4;s8s9;s7;s6;s7;s12;s14;s15s16;s1s2s12;s3;s8;s9;s10;s10;s10;s11;s13;s13;s13;s14;s15;s16;s17;s1;s3;/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 1058 RIJ-COSX (HFX calculated with COS-X)) on IntName MEFENAMIC_ACID_1 HFTyp RHF Charge 1 Mult 1 NEL 128 Dim 782 ENuc 1275.0343218824 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 4.475e-06 Time for diagonalization 0.099 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.149 sec Total time needed 0.305 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 1058 RIJ-COSX (HFX calculated with COS-X)) on IntName MEFENAMIC_ACID_1 HFTyp RHF Charge 1 Mult 1 NEL 128 Dim 782 ENuc 1282.7591007213 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 4.087e-06 Time for diagonalization 0.104 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.127 sec Total time needed 0.233 sec 1 1 wB97X-D3 TightOpt Freq def2-TZVPP def2/J RIJCOSX TightSCF defgrid3 CHELPG maxcore 6144 pal nprocs 8 chelpg grid 0.1 rmax 3.0 226.16599999999988 AuxInfo=1/0/N:13,10,17,16,11,9,15,14,8,6,4,12,5,7,18,3,1,2/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.4,18.1/rA:34OO1N4C3C3C3C3C3C3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;s3s4;s4;s3;s5;s6;s4;s8s9;s7;s6;s7;s12;s14;s15s16;s1s2s12;s3;s8;s9;s10;s10;s10;s11;s13;s13;s13;s14;s15;s16;s17;s1;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 226.16599999999988 AuxInfo=1/0/N:13,10,17,16,11,9,15,14,8,6,4,12,5,7,18,3,1,2/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.4,18.1/rA:34OO1N4C3C3C3C3C3C3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;s3s4;s4;s3;s5;s6;s4;s8s9;s7;s6;s7;s12;s14;s15s16;s1s2s12;s3;s8;s9;s10;s10;s10;s11;s13;s13;s13;s14;s15;s16;s17;s1;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 226.16599999999988 AuxInfo=1/0/N:13,10,17,16,11,9,15,14,8,6,4,12,5,7,18,3,1,2/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.4,18.1/rA:34OO1N4C3C3C3C3C3C3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;s3s4;s4;s3;s5;s6;s4;s8s9;s7;s6;s7;s12;s14;s15s16;s1s2s12;s3;s8;s9;s10;s10;s10;s11;s13;s13;s13;s14;s15;s16;s17;s1;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 226.16599999999988 AuxInfo=1/0/N:13,10,17,16,11,9,15,14,8,6,4,12,5,7,18,3,1,2/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.4,18.1/rA:34OO1N4C3C3C3C3C3C3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;s3s4;s4;s3;s5;s6;s4;s8s9;s7;s6;s7;s12;s14;s15s16;s1s2s12;s3;s8;s9;s10;s10;s10;s11;s13;s13;s13;s14;s15;s16;s17;s1;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 226.16599999999988 AuxInfo=1/0/N:13,10,17,16,11,9,15,14,8,6,4,12,5,7,18,3,1,2/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.4,18.1/rA:34OO1N4C3C3C3C3C3C3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;s3s4;s4;s3;s5;s6;s4;s8s9;s7;s6;s7;s12;s14;s15s16;s1s2s12;s3;s8;s9;s10;s10;s10;s11;s13;s13;s13;s14;s15;s16;s17;s1;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 226.16599999999988 AuxInfo=1/0/N:13,10,17,16,11,9,15,14,8,6,4,12,5,7,18,3,1,2/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.4,18.1/rA:34OO1N4C3C3C3C3C3C3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;s3s4;s4;s3;s5;s6;s4;s8s9;s7;s6;s7;s12;s14;s15s16;s1s2s12;s3;s8;s9;s10;s10;s10;s11;s13;s13;s13;s14;s15;s16;s17;s1;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 226.16599999999988 AuxInfo=1/0/N:13,10,17,16,11,9,15,14,8,6,4,12,5,7,18,3,1,2/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.4,18.1/rA:34OO1N4C3C3C3C3C3C3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;s3s4;s4;s3;s5;s6;s4;s8s9;s7;s6;s7;s12;s14;s15s16;s1s2s12;s3;s8;s9;s10;s10;s10;s11;s13;s13;s13;s14;s15;s16;s17;s1;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 226.16599999999988 AuxInfo=1/0/N:13,10,17,16,11,9,15,14,8,6,4,12,5,7,18,3,1,2/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.4,18.1/rA:34OO1N4C3C3C3C3C3C3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;s3s4;s4;s3;s5;s6;s4;s8s9;s7;s6;s7;s12;s14;s15s16;s1s2s12;s3;s8;s9;s10;s10;s10;s11;s13;s13;s13;s14;s15;s16;s17;s1;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 226.16599999999988 AuxInfo=1/0/N:13,10,17,16,11,9,15,14,8,6,4,12,5,7,18,3,1,2/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.4,18.1/rA:34OO1N4C3C3C3C3C3C3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;s3s4;s4;s3;s5;s6;s4;s8s9;s7;s6;s7;s12;s14;s15s16;s1s2s12;s3;s8;s9;s10;s10;s10;s11;s13;s13;s13;s14;s15;s16;s17;s1;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 226.16599999999988 AuxInfo=1/0/N:13,10,17,16,11,9,15,14,8,6,4,12,5,7,18,3,1,2/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.4,18.1/rA:34OO1N4C3C3C3C3C3C3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;s3s4;s4;s3;s5;s6;s4;s8s9;s7;s6;s7;s12;s14;s15s16;s1s2s12;s3;s8;s9;s10;s10;s10;s11;s13;s13;s13;s14;s15;s16;s17;s1;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 226.16599999999988 AuxInfo=1/0/N:13,10,17,16,11,9,15,14,8,6,4,12,5,7,18,3,1,2/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.4,18.1/rA:34OO1N4C3C3C3C3C3C3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;s3s4;s4;s3;s5;s6;s4;s8s9;s7;s6;s7;s12;s14;s15s16;s1s2s12;s3;s8;s9;s10;s10;s10;s11;s13;s13;s13;s14;s15;s16;s17;s1;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 226.16599999999988 AuxInfo=1/0/N:13,10,17,16,11,9,15,14,8,6,4,12,5,7,18,3,1,2/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.4,18.1/rA:34OO1N4C3C3C3C3C3C3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;s3s4;s4;s3;s5;s6;s4;s8s9;s7;s6;s7;s12;s14;s15s16;s1s2s12;s3;s8;s9;s10;s10;s10;s11;s13;s13;s13;s14;s15;s16;s17;s1;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 226.16599999999988 AuxInfo=1/0/N:13,10,17,16,11,9,15,14,8,6,4,12,5,7,18,3,1,2/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.4,18.1/rA:34OO1N4C3C3C3C3C3C3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;s3s4;s4;s3;s5;s6;s4;s8s9;s7;s6;s7;s12;s14;s15s16;s1s2s12;s3;s8;s9;s10;s10;s10;s11;s13;s13;s13;s14;s15;s16;s17;s1;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 226.16599999999988 AuxInfo=1/0/N:13,10,17,16,11,9,15,14,8,6,4,12,5,7,18,3,1,2/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.4,18.1/rA:34OO1N4C3C3C3C3C3C3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;s3s4;s4;s3;s5;s6;s4;s8s9;s7;s6;s7;s12;s14;s15s16;s1s2s12;s3;s8;s9;s10;s10;s10;s11;s13;s13;s13;s14;s15;s16;s17;s1;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; -786.315287403748 -786.317596845482 -786.317621992846 -786.317706551683 -786.317710541213 -786.317719982601 -786.317725537693 -786.317734843981 -786.317741860424 -786.317748569669 -786.317752074206 -786.317753894113 -786.317754910820 -786.317755186311 -786.317755358055 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 O O N 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 0.399985 0.131847 0.541951 -0.064681 -0.091351 -0.048234 -0.055355 -0.001527 0.026423 0.025040 0.016335 -0.078251 0.033081 0.019071 0.056125 0.044979 0.030673 -0.374413 -0.019761 0.029937 0.034270 0.008623 0.036922 0.035798 0.033956 0.029220 0.026901 0.028393 0.038105 0.040498 0.039273 0.038498 -0.054338 0.042007 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 O O N 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 8.2263 8.3784 6.8915 6.1739 5.7819 5.9482 5.9930 6.2080 6.1174 6.2959 6.0692 6.1136 6.2118 6.1373 6.0614 6.0607 6.1040 5.5567 0.7809 0.8700 0.8676 0.9320 0.8594 0.8747 0.8493 0.9029 0.8962 0.8956 0.8441 0.8398 0.8411 0.8401 0.7672 0.8100 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 6.0000 6.0000 1.0000 1.0000 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0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 1.2940 0.9529 1.8251 0.1738 0.8501 0.9429 0.8620 0.9363 1.3214 1.4087 0.9523 1.3556 1.4384 0.9300 1.3767 1.4739 1.4890 0.9643 1.4291 0.9608 1.0052 0.9851 0.9866 0.9589 1.4042 0.9898 0.9852 0.9917 0.9874 1.4481 0.9290 1.4408 0.9486 1.4298 0.9548 0.9624 0 17 0 32 1 17 1 18 2 4 2 6 2 18 2 33 3 4 3 5 3 9 4 7 5 8 5 12 6 11 6 13 7 10 7 19 8 10 8 20 9 21 9 22 9 23 10 24 11 14 11 17 12 25 12 26 12 27 13 15 13 28 14 16 14 29 15 16 15 30 16 31 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 O O N 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 -0.226284 -0.378403 0.108514 -0.173859 0.218083 0.051826 0.006964 -0.208037 -0.117443 -0.295922 -0.069154 -0.113645 -0.211780 -0.137302 -0.061379 -0.060673 -0.104012 0.443330 0.219112 0.129979 0.132388 0.068046 0.140632 0.125303 0.150696 0.097100 0.103815 0.104435 0.155881 0.160218 0.158875 0.159876 0.232774 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22.2529 22.4846 22.5655 22.7620 22.9906 23.3044 23.5234 23.6205 23.8712 24.0658 24.1994 24.4483 24.7113 24.7861 25.0905 25.2971 25.4625 25.8445 25.9437 26.1953 26.5135 26.5898 26.7814 26.8560 27.1485 27.2238 27.3720 27.7555 27.8137 27.8906 28.1203 28.2867 28.5169 28.7076 29.1224 29.4247 29.5401 29.6474 30.0510 30.3146 30.5865 30.6478 30.8497 31.0237 31.0896 31.3999 31.6290 31.7489 32.1719 32.2624 32.4597 32.8146 32.9185 33.0350 33.1869 33.4194 33.7006 33.7947 33.9405 34.1980 34.3579 34.4883 34.7107 34.9496 35.1577 35.2339 35.4249 35.5718 35.8935 36.1124 36.2561 36.7139 36.7876 36.9421 37.0391 37.4240 37.4756 37.7899 37.8835 38.0027 38.0945 38.6267 38.7372 38.9596 39.1240 39.3282 39.3535 39.5313 39.8637 40.1265 40.2206 40.6139 40.7446 40.9094 41.0729 41.2335 41.3954 41.5184 41.8456 42.0319 42.4417 42.5904 42.9372 43.1629 43.5589 43.7240 43.9758 44.1120 44.2699 44.6943 44.8156 44.8771 45.2457 45.4720 45.5367 45.7327 45.9261 46.0063 46.3543 46.5030 46.6802 46.9375 47.2629 47.6568 47.9419 48.3234 48.4062 48.9637 49.1291 49.6660 50.1602 50.7496 50.9539 51.2641 51.5288 52.0900 52.4246 52.5682 52.8856 53.3594 53.5176 53.5855 53.7931 54.3334 54.5950 54.8697 54.8956 55.1985 55.5281 55.6937 55.9152 56.2378 56.2907 56.5949 57.0683 57.4659 58.2182 58.3625 59.0336 59.8569 60.0989 60.5309 60.7310 61.1132 61.3807 61.6780 62.0527 62.5898 63.1519 63.4804 63.5998 63.9215 64.1943 64.2807 64.6669 65.1531 65.5852 65.9605 66.2795 66.6062 66.7173 67.4300 67.7715 68.6018 69.0505 69.3084 69.5180 69.8087 70.2440 70.5844 71.0245 71.2030 71.6671 71.8539 71.9724 72.1434 72.3706 72.7133 72.8975 73.0636 73.2154 73.3960 73.5208 73.6702 73.9731 74.3907 74.8357 75.3561 75.5134 75.6710 75.7564 75.8663 76.0692 76.3018 76.4978 76.6219 76.7084 76.7965 77.0994 77.3804 77.4623 77.5574 77.7142 77.9431 78.0877 78.1905 78.5443 78.5910 78.7529 78.7898 79.0936 79.3388 79.6957 80.0538 80.2765 80.4337 80.4609 80.7539 80.9832 81.3189 81.3630 81.4138 81.5031 81.6475 82.0830 82.2229 82.2721 82.4989 82.6630 82.7352 83.1863 83.2027 83.2493 83.5096 83.5856 83.9158 84.1322 84.3095 84.5670 84.6431 84.6781 84.9666 85.0074 85.2086 85.3803 85.7502 85.9271 86.0583 86.2866 86.4347 86.7391 86.9053 87.1972 87.2490 87.4897 87.5854 87.7231 88.0253 88.2589 88.4669 88.5460 88.8118 88.9172 89.2498 89.5949 89.7822 90.1294 90.1861 90.4469 90.6342 90.8106 90.9746 91.0981 91.1165 91.4954 91.5590 91.6803 91.7830 91.8566 92.3654 92.4923 92.5965 92.8099 92.9229 93.2343 93.3402 93.4560 93.5823 93.9315 93.9742 94.3949 94.4635 94.8482 94.9921 95.2185 95.4230 95.5529 95.6574 95.7050 96.0002 96.0515 96.2075 96.6246 96.6773 96.9556 97.1761 97.3933 97.5971 97.8621 98.1625 98.2611 98.4767 98.6364 98.8394 99.2041 99.3415 99.6683 99.9974 100.1427 100.4741 101.0148 101.1251 101.2493 101.7165 101.8189 101.9045 102.1394 102.4923 102.7820 102.8938 102.9879 103.2180 103.5140 103.6534 103.9151 104.1540 104.3325 104.5115 104.6109 105.0331 105.3831 105.6446 105.7677 105.9925 106.3375 106.7317 106.9014 107.0129 107.2087 107.3876 107.8512 108.0835 108.3809 108.6285 108.7539 108.8760 109.2453 109.4591 109.5668 109.7272 109.9526 110.0501 110.6391 110.7629 110.9793 111.3106 111.5696 111.7415 111.8002 112.0781 112.4168 112.5437 112.8174 113.1153 113.2573 113.4955 113.7809 113.9024 114.0451 114.3890 114.4864 114.7604 114.8647 115.1497 115.2500 115.3279 115.4730 115.8031 116.0076 116.1334 116.2775 116.6362 116.7707 116.8942 117.1541 117.3720 117.7824 117.8382 118.0492 118.3101 118.7038 119.0984 119.5860 119.6827 120.1875 120.5172 120.7088 121.0631 121.4349 121.9572 122.1900 122.4293 122.7742 122.9259 123.0956 123.6391 124.2859 124.6796 125.1470 125.3690 125.4565 126.0357 126.1716 126.4836 126.6380 127.0670 127.4118 127.7880 128.0497 128.3269 128.5444 128.6684 129.0843 129.4726 129.5975 130.2000 130.4457 130.6149 130.7394 131.0821 131.4636 132.2093 132.6263 132.7022 133.0606 133.3823 133.8337 133.9237 134.7909 134.8002 135.3220 135.5936 135.8306 136.3964 138.0909 138.3388 138.7309 138.8253 139.2123 139.6604 140.3421 140.4939 141.0043 141.5584 141.9965 142.0075 142.3101 142.6477 143.2812 143.4550 143.5557 143.7844 143.9257 144.2042 144.6955 144.8171 145.0232 145.3660 145.8104 145.9557 146.4026 147.0465 147.1338 147.6330 148.1752 148.4385 148.7953 148.8322 149.3846 150.0141 150.5560 150.8326 151.2945 151.7326 152.2319 153.2381 153.5137 153.9003 154.2385 154.8228 155.0280 155.5645 155.9419 156.3553 157.2053 157.7971 159.3988 161.4327 161.6112 162.2415 163.4791 163.8554 164.0289 164.4198 164.9640 165.3670 165.5642 168.1760 169.3929 171.8006 172.7356 174.9210 175.0797 177.0556 177.9332 179.8083 181.2398 182.0354 182.1787 183.9215 185.4421 186.5199 187.1594 191.5710 195.9500 200.6022 203.3486 205.9550 610.5712 616.9563 627.7809 628.8147 630.3179 631.6919 631.8877 632.6043 633.2828 633.8061 640.1907 643.2756 645.4752 653.7087 654.3445 899.2175 1194.3558 1197.8530 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 O O N C C C C C C C C C C C C C C C H H H H H H H 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