Orca 5.0.2 RELEASE 1 2 3 4 11s6p2d1f 5s2p1d 11s6p2d1f 7s7p6d2f1g 5s3p2d1f 3s2p1d 5s3p2d1f 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 54 55 56 C C C C C C C H H H C C H H O O O O O H C H H C H C H H H C H H H C H C C H H H C H H H C H C C H H H C H H H H Ag 1 1 1 1 1 1 1 2 2 2 1 1 2 2 3 3 3 3 3 2 1 2 2 1 2 1 2 2 2 1 2 2 2 1 2 1 1 2 2 2 1 2 2 2 1 2 1 1 2 2 2 1 2 2 2 2 4 1 Ag ECP Def2-ECP 56 Ag 1 440.0898999999999 AuxInfo=1/0/N:37,41,48,52,26,30,34,7,45,21,12,36,47,24,4,11,2,3,5,1,6,15,16,17,18,19;57/E:(1,2)(3,4)(5,6);/CRV:7.3,9.3,12.3,13.3,16.3,17.3,18.3,19.3,20.3,23.1,24.1,25.1;/rA:57C3C3C3CC3CCHHHC3CHHOO1O1O1OHCHHCHCHHHCHHHCHCCHHHCHHHCHC3CHHHCHHHHAg/rB:s1;s2;s3;s4;s1s5;s4;s7;s7;s4;s2;s11;s12;s12;s11;s3;s5;s1;s6;s19;s6;s21;s21;s12;s24;s24;s26;s26;s26;s24;s30;s30;s30;s7;s34;s34;s36;s37;s37;s37;s36;s41;s41;s41;s21;s45;s45;s47;s48;s48;s48;s47;s52;s52;s52;s15;s34s36s45;/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 1693 RIJ-COSX (HFX calculated with COS-X)) on IntName Humulone_transKeto_Neutral_Iso1_14_s1 HFTyp RHF Charge 1 Mult 1 NEL 214 Dim 1282 ENuc 3131.6918849507 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) 5.000e-05 Converg. threshold II (energy diff.) 1.000e-06 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 1.000e-10 Eh TCut 1.000e-11 Eh ConvCheckMode Total+1el-Energy ConvForced 1 TolE 1.000e-06 Eh 1-El. energy change 1.000e-03 Eh TolErr 1.000e-06 Smallest eigenvalue 9.779e-06 Time for diagonalization 0.217 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.195 sec Total time needed 0.417 sec 1 1 wB97X-D3 def2-TZVPP defgrid3 ESD(ABS) maxcore 8192 pal nprocs 8 tddft nroots=25 iroot=1 tda false esd GSHESSIAN "Humulone_transKeto_Neutral_Iso1_14.hess" hessflag VG unit nm LINES gaussian USEJ FALSE 440.0898999999999 AuxInfo=1/0/N:37,41,48,52,26,30,34,7,45,21,12,36,47,24,4,11,2,3,5,1,6,15,16,17,18,19;57/E:(1,2)(3,4)(5,6);/CRV:7.3,9.3,12.3,13.3,16.3,17.3,18.3,19.3,20.3,23.1,24.1,25.1;/rA:57C3C3C3CC3CCHHHC3CHHOO1O1O1OHCHHCHCHHHCHHHCHCCHHHCHHHCHC3CHHHCHHHHAg/rB:s1;s2;s3;s4;s1s5;s4;s7;s7;s4;s2;s11;s12;s12;s11;s3;s5;s1;s6;s19;s6;s21;s21;s12;s24;s24;s26;s26;s26;s24;s30;s30;s30;s7;s34;s34;s36;s37;s37;s37;s36;s41;s41;s41;s21;s45;s45;s47;s48;s48;s48;s47;s52;s52;s52;s15;s34s36s45;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; -1341.37633762 3131.69188495 -4473.06822257 -8093.31770745 3620.24948487 -2586.67839436 1245.30205674 2.07714938 107.000011418304 107.000011418304 214.000022836608 -125.163223109446 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 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158.0552 158.2446 158.5679 159.2205 159.4944 160.6404 160.9155 161.0467 161.9794 163.8056 164.2128 166.0549 168.2780 168.5561 169.4511 171.5408 172.9600 173.4616 174.0340 176.2452 176.9118 177.5749 178.7299 178.8938 179.1395 180.1057 180.3249 180.6089 181.5311 182.7030 183.5400 183.5574 185.0172 186.1124 186.2856 186.8621 187.4381 187.7589 189.1310 189.5401 192.1951 192.7402 193.5194 194.1255 194.9185 195.4004 196.4556 198.2209 201.2597 204.4100 205.0158 210.4030 620.7359 622.1119 622.4050 623.1396 630.9388 632.0320 632.4673 633.5667 634.1277 635.6775 636.0210 637.9595 638.7105 638.7696 641.2754 641.3752 643.1772 644.2550 646.9862 647.9607 648.3167 939.0972 1198.3813 1199.4916 1202.9249 1203.6364 1209.1912 3028.8513 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 54 55 56 C C C C C C C H H H C C H H O O O O O H C H H C H C H H H C H H H C H C C H H H C H H H C H C C H H H C 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0.8648 0.8816 0.7614 18.8492 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 6.0000 6.0000 1.0000 1.0000 8.0000 8.0000 8.0000 8.0000 8.0000 1.0000 6.0000 1.0000 1.0000 6.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 6.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 6.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 1.0000 19.0000 0.1668 -0.2432 0.1269 0.2338 -0.1102 0.5393 -0.2425 0.1322 0.1449 0.1225 0.3004 -0.1536 0.1250 0.1024 -0.2385 -0.3624 -0.2810 -0.4012 -0.2964 0.1909 -0.2798 0.1331 0.1216 0.0565 0.0730 -0.2694 0.0830 0.0960 0.0942 -0.3337 0.1155 0.0808 0.0913 -0.2166 0.2052 0.1010 -0.2189 0.1015 0.1379 0.1038 -0.1969 0.0971 0.0916 0.1312 -0.2043 0.2209 0.1031 -0.1956 0.0957 0.0971 0.1297 -0.2389 0.0941 0.1352 0.1184 0.2386 0.1508 3.6859 3.3370 4.1261 3.6429 4.1834 3.3834 4.0751 1.0148 1.0030 1.0316 3.8816 3.8529 1.0204 1.0373 2.3379 2.1599 2.1753 2.0136 2.1384 1.0450 4.0589 1.0213 1.0119 3.8330 1.0235 3.9528 1.0015 1.0068 1.0071 3.9388 1.0091 1.0039 1.0059 3.6514 1.0283 3.6850 3.9398 1.0101 0.9949 1.0067 3.9427 1.0070 1.0057 0.9981 3.7111 1.0132 3.6316 3.9208 1.0101 1.0043 0.9980 3.9505 1.0095 0.9958 1.0209 1.1006 1.6193 3.6859 3.3370 4.1261 3.6429 4.1834 3.3834 4.0751 1.0148 1.0030 1.0316 3.8816 3.8529 1.0204 1.0373 2.3379 2.1599 2.1753 2.0136 2.1384 1.0450 4.0589 1.0213 1.0119 3.8330 1.0235 3.9528 1.0015 1.0068 1.0071 3.9388 1.0091 1.0039 1.0059 3.6514 1.0283 3.6850 3.9398 1.0101 0.9949 1.0067 3.9427 1.0070 1.0057 0.9981 3.7111 1.0132 3.6316 3.9208 1.0101 1.0043 0.9980 3.9505 1.0095 0.9958 1.0209 1.1006 1.6193 -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 -0.0000 -0.0000 -0.0000 1.0019 0.7893 1.8626 1.0729 1.3130 0.9561 1.8614 0.9685 0.8485 0.9615 0.8249 2.0897 1.0320 0.8832 1.0267 0.9884 0.9927 0.9643 1.4470 0.9682 1.0200 0.9056 0.8390 0.2098 0.9966 1.0447 0.9730 0.9706 1.0144 0.9511 0.9364 0.9847 0.9931 0.9966 0.9931 0.9804 0.9850 0.9808 1.3162 0.3724 1.0161 0.9923 0.3260 0.9940 0.9684 0.9766 0.9851 0.9888 0.9659 0.9779 1.3427 0.4033 0.9896 1.0068 0.2790 0.9919 0.9813 0.9666 0.9776 0.9701 0.9934 0 1 0 5 0 17 1 2 1 10 2 3 2 15 3 4 3 6 3 9 4 5 4 16 5 18 5 20 6 7 6 8 6 33 10 11 10 14 11 12 11 13 11 23 14 55 15 55 18 19 20 21 20 22 20 44 23 24 23 25 23 29 25 26 25 27 25 28 29 30 29 31 29 32 33 34 33 35 33 56 35 36 35 40 35 56 36 37 36 38 36 39 40 41 40 42 40 43 44 45 44 46 44 56 46 47 46 51 46 56 47 48 47 49 47 50 51 52 51 53 51 54 SINGLET 1 0.140802 101 101 103 104 105 105 105 105 105 105 106 106 a a a a a a a a a a a a 109 112 107 112 107 108 109 110 111 112 107 112 a a a a a a a a a a a a 0.010657 0.049780 0.037712 0.032839 0.469935 0.054051 0.024580 0.064960 0.010417 0.041630 0.053608 0.013793 2 0.155638 100 101 101 101 103 103 104 104 104 105 105 105 105 105 106 a a a a a a a a a a a a a a a 107 107 108 110 107 112 107 108 110 107 109 110 111 112 107 a a a a a a a a a a a a a a a 0.021160 0.141453 0.016773 0.040921 0.026081 0.019879 0.220226 0.017413 0.053684 0.036523 0.021565 0.040469 0.014480 0.178290 0.033754 3 0.163888 103 103 103 103 105 105 105 a a a a a a a 107 108 109 110 108 109 110 a a a a a a a 0.029624 0.174463 0.227493 0.111647 0.101032 0.150094 0.075798 4 0.179119 101 104 105 105 106 106 106 106 106 a a a a a a a a a 107 107 107 108 107 108 109 110 112 a a a a a a a a a 0.013824 0.012581 0.039339 0.014401 0.550380 0.163483 0.108945 0.010939 0.028399 5 0.193861 103 103 105 105 106 106 106 106 106 a a a a a a a a a 107 110 109 110 107 108 109 110 112 a a a a a a a a a 0.051728 0.010167 0.019752 0.011522 0.079434 0.179830 0.248220 0.283571 0.041941 6 0.204911 101 101 102 102 103 103 103 103 104 104 105 106 106 a a a a a a a a a a a a a 107 108 107 108 107 108 110 112 107 108 109 107 108 a a a a a a a a a a a a a 0.039866 0.011533 0.072958 0.016950 0.161195 0.030197 0.036577 0.010628 0.381884 0.068506 0.011263 0.014266 0.011054 7 0.205800 101 103 103 103 104 104 105 105 105 105 106 106 106 a a a a a a a a a a a a a 107 107 108 110 107 108 107 108 110 112 107 110 112 a a a a a a a a a a a a a 0.028562 0.346807 0.036592 0.031350 0.138548 0.024004 0.080616 0.013243 0.045039 0.075285 0.020214 0.024567 0.019129 8 0.211577 97 101 102 102 102 103 103 104 104 104 105 105 105 106 a a a a a a a a a a a a a a 107 108 107 108 109 107 108 107 108 109 107 108 112 109 a a a a a a a a a a a a a a 0.017498 0.011243 0.172498 0.195890 0.034240 0.053168 0.030125 0.093694 0.081606 0.052769 0.015436 0.042278 0.024995 0.034177 9 0.214808 101 101 102 102 103 103 104 104 105 105 105 106 a a a a a a a a a a a a 108 109 107 109 107 110 108 109 107 108 110 110 a a a a a a a a a a a a 0.018449 0.017748 0.298666 0.018581 0.019706 0.012864 0.285183 0.121290 0.022918 0.010271 0.029380 0.019266 10 0.220635 101 101 102 102 102 103 103 103 103 104 104 105 105 105 105 106 a a a a a a a a a a a a a a a a 107 108 108 109 110 107 108 109 110 108 109 108 109 110 112 109 a a a a a a a a a a a a a a a a 0.042382 0.021563 0.122941 0.034096 0.014647 0.025141 0.044294 0.142663 0.051174 0.057353 0.036967 0.203439 0.055729 0.024858 0.023320 0.018238 11 0.221667 97 102 102 102 102 103 104 104 105 105 105 105 105 106 106 106 106 a a a a a a a a a a a a a a a a a 107 107 108 109 110 108 108 109 107 108 109 110 112 107 109 110 112 a a a a a a a a a a a a a a a a a 0.019570 0.119506 0.066893 0.126822 0.014396 0.037490 0.030235 0.034422 0.020595 0.100047 0.051800 0.021958 0.036364 0.047613 0.058793 0.031907 0.064021 12 0.224545 97 101 101 101 101 102 102 102 103 103 103 104 104 104 104 105 105 105 105 106 106 a a a a a a a a a a a a a a a a a a a a a 107 107 108 110 112 107 108 109 107 108 110 107 108 110 112 107 109 110 112 109 112 a a a a a a a a a a a a a a a a a a a a a 0.023127 0.012041 0.027099 0.015856 0.037093 0.016455 0.040285 0.025015 0.011374 0.018434 0.040493 0.012523 0.012628 0.070591 0.066139 0.221617 0.010294 0.140452 0.012664 0.021426 0.037669 13 0.226726 102 102 103 103 105 105 105 105 106 106 106 106 a a a a a a a a a a a a 107 109 108 109 108 109 110 111 107 109 110 112 a a a a a a a a a a a a 0.078864 0.019708 0.010386 0.027778 0.152567 0.084861 0.028501 0.014985 0.075056 0.103550 0.130304 0.171888 14 0.229156 97 100 101 101 101 102 102 102 102 104 104 104 104 105 105 105 a a a a a a a a a a a a a a a a 107 107 107 108 109 107 108 109 111 107 108 109 110 109 110 112 a a a a a a a a a a a a a a a a 0.052113 0.011099 0.173929 0.013011 0.045203 0.017451 0.032100 0.019693 0.017229 0.012414 0.013424 0.087893 0.135280 0.080588 0.121393 0.020922 15 0.231861 97 97 101 101 101 102 102 102 103 103 104 104 105 105 105 106 106 106 106 a a a a a a a a a a a a a a a a a a a 107 110 107 109 112 107 108 109 109 112 109 112 108 109 111 107 109 110 112 a a a a a a a a a a a a a a a a a a a 0.083996 0.011786 0.024187 0.072358 0.014217 0.023573 0.037405 0.044226 0.053829 0.020227 0.058637 0.026450 0.077540 0.129176 0.011594 0.021115 0.032552 0.046167 0.054092 16 0.236704 97 101 101 103 104 105 105 106 106 106 106 106 106 a a a a a a a a a a a a a 107 107 108 112 108 108 109 107 108 109 110 111 112 a a a a a a a a a a a a a 0.017380 0.072778 0.012576 0.020604 0.030642 0.011604 0.026312 0.051181 0.395207 0.079479 0.119092 0.012438 0.012234 17 0.239536 101 101 101 101 103 104 104 104 104 104 105 105 105 105 105 106 106 a a a a a a a a a a a a a a a a a 107 108 109 110 110 108 109 110 111 112 108 109 110 111 112 108 109 a a a a a a a a a a a a a a a a a 0.016265 0.128254 0.018305 0.062564 0.012514 0.127595 0.170139 0.012942 0.010587 0.062241 0.019308 0.066421 0.030099 0.011590 0.018155 0.044183 0.051386 18 0.243030 97 101 101 102 102 104 104 104 104 105 105 105 105 106 a a a a a a a a a a a a a a 107 107 109 109 110 109 110 111 112 108 109 110 112 108 a a a a a a a a a a a a a a 0.027652 0.233306 0.025663 0.013571 0.022754 0.021930 0.228036 0.073380 0.020457 0.010294 0.013118 0.039531 0.078491 0.047665 19 0.244104 98 98 101 103 103 103 103 103 104 104 104 105 105 106 106 a a a a a a a a a a a a a a a 107 108 110 107 109 110 111 112 108 109 110 109 110 108 109 a a a a a a a a a a a a a a a 0.017720 0.010013 0.014941 0.033973 0.076055 0.020195 0.030451 0.353167 0.020130 0.038251 0.010424 0.057630 0.048238 0.031440 0.025829 20 0.247845 101 101 101 102 102 103 103 104 104 104 104 105 105 105 105 106 a a a a a a a a a a a a a a a a 109 110 111 111 112 109 110 109 110 111 112 109 110 112 114 111 a a a a a a a a a a a a a a a a 0.058027 0.037919 0.052389 0.036604 0.011989 0.034070 0.037549 0.024271 0.012078 0.023315 0.220999 0.035363 0.098685 0.081901 0.010948 0.050855 21 0.249051 97 97 97 97 97 100 101 101 101 103 104 104 104 104 104 104 105 105 105 105 106 106 a a a a a a a a a a a a a a a a a a a a a a 107 108 109 110 112 107 107 109 112 107 107 108 109 110 111 112 108 110 111 112 110 111 a a a a a a a a a a a a a a a a a a a a a a 0.341548 0.012546 0.024177 0.019870 0.024921 0.012086 0.010664 0.010506 0.011098 0.013540 0.010487 0.017439 0.011668 0.056036 0.116058 0.018857 0.011024 0.019461 0.021311 0.045202 0.011812 0.021220 22 0.252408 101 101 101 102 102 102 102 102 103 104 104 105 105 105 105 106 106 a a a a a a a a a a a a a a a a a 107 108 109 107 108 109 110 111 111 111 112 108 109 111 112 110 112 a a a a a a a a a a a a a a a a a 0.013788 0.021296 0.019627 0.019200 0.018033 0.015794 0.034161 0.102032 0.037112 0.012563 0.032572 0.043198 0.016446 0.359608 0.036190 0.015179 0.041254 23 0.253318 101 101 102 102 102 102 102 103 103 104 105 106 106 106 106 106 a a a a a a a a a a a a a a a a 108 109 107 108 109 110 111 108 110 109 111 108 109 110 111 112 a a a a a a a a a a a a a a a a 0.011557 0.019922 0.039495 0.088443 0.023136 0.064376 0.150453 0.013675 0.025289 0.010039 0.041796 0.011807 0.035678 0.052630 0.139654 0.121715 24 0.256154 97 100 100 100 101 101 101 104 104 104 104 105 106 a a a a a a a a a a a a a 107 107 108 109 107 111 112 108 109 110 111 111 111 a a a a a a a a a a a a a 0.017311 0.071271 0.044054 0.040101 0.040840 0.011910 0.028766 0.027719 0.017659 0.083038 0.300999 0.024982 0.034035 25 0.256781 89 102 102 102 102 103 103 103 103 104 104 104 105 105 105 106 106 106 106 a a a a a a a a a a a a a a a a a a a 107 107 109 110 111 108 110 111 112 110 111 112 108 111 112 109 110 111 112 a a a a a a a a a a a a a a a a a a a 0.010524 0.015600 0.030416 0.025271 0.058667 0.068085 0.064549 0.019545 0.011694 0.017832 0.030313 0.012161 0.011953 0.034537 0.052575 0.044842 0.048660 0.174347 0.058365 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 30902.4 34158.6 35969.3 39312.1 42547.6 44972.7 45167.9 46435.7 47144.9 48423.8 48650.2 49281.9 49760.6 50293.9 50887.6 51950.6 52572.2 53338.9 53574.5 54395.7 54660.4 55397.2 55596.9 56219.3 56356.8 323.6 292.8 278.0 254.4 235.0 222.4 221.4 215.4 212.1 206.5 205.5 202.9 201.0 198.8 196.5 192.5 190.2 187.5 186.7 183.8 182.9 180.5 179.9 177.9 177.4 0.001359719 0.004741871 0.001457413 0.226465497 0.109990038 0.035581986 0.033257121 0.075280830 0.073912187 0.028899607 0.037121633 0.005835532 0.025493491 0.179267795 0.010189932 0.013691102 0.001705248 0.036819685 0.013326839 0.024971026 0.042140561 0.051797535 0.036521218 0.037957089 0.011087742 0.01449 0.04570 0.01334 1.89650 0.85105 0.26047 0.24240 0.53371 0.51613 0.19648 0.25120 0.03898 0.16866 1.17344 0.06592 0.08676 0.01068 0.22725 0.08189 0.15113 0.25381 0.30782 0.21626 0.22227 0.06477 -0.07470 -0.16932 0.06460 1.32322 -0.35822 -0.28606 -0.28943 -0.22828 -0.51065 0.39425 0.32172 -0.13718 -0.09051 0.32220 -0.22504 -0.02508 -0.09214 -0.27909 0.20656 0.18097 0.11453 0.45888 -0.22567 0.09102 0.16607 0.02241 -0.10470 -0.04397 -0.18965 0.84260 -0.28542 -0.36967 -0.00437 -0.29418 0.16268 -0.18975 0.00448 -0.22908 1.00578 -0.11194 -0.22854 -0.02511 -0.28927 0.19092 0.33081 0.42390 0.06378 0.15961 0.12919 -0.11004 0.09167 0.07790 0.08505 -0.33109 0.11290 -0.31173 -0.14825 -0.69396 -0.41088 0.12075 0.33420 0.14193 0.32862 -0.24092 0.05245 0.18412 -0.03947 -0.25629 0.05269 0.09456 0.24697 0.30526 -0.37397 0.44418 0.15837 -0.038101801 -1341.273637689455 104.68322 -106.64375 -1.96053 -4.30758 3.92558 -0.38200 24.50132 -25.71709 -1.21577 2.33831 5.94352