Orca 5.0.4 RELEASE 1 2 3 4 5 6 35s16p2d 18s5p2d 18s5p2d 18s5p2d 18s5p2d 5s2p 5s4p2d 4s3p2d 4s3p2d 4s3p2d 4s3p2d 3s2p 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 S S F N N O O C C C C C C C C C C N N C N C C N C C H H H H H H H H H H H H H 1 1 2 3 3 4 4 5 5 5 5 5 5 5 5 5 5 3 3 5 3 5 5 3 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 379.32790319999987 AuxInfo=1/0/N:10,14,9,13,12,11,8,15,25,17,23,16,26,20,22,3,5,4,19,21,18,24,7,6,2,1/E:(1,2)(3,4)(8,9)(10,11)(12,13)(14,15)(17,18)(19,20)(21,22)(23,24)(25,26)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,23.1,24.1,25.1,26.1/rA:39nS1S1FNNO1O1CC3C3C3C3C3C3C3C3C3NNC3NC3C3NC3C3HHHHHHHHHHHHH/rB:;;;;;;;;s9;s3s9;s8s10;s11;s12s13;s8;s7s15;s5s15;s16;s17;s2s18s19;;s1s21;s4s21;s22;s8s23;s6s24s25;s21;s19;s4;s4;s5;s5;s24;s18;s8;s9;s10;s13;s14;/rC:4.2094,-4.0809,-2.1181;-5.7706,-1.5083,-1.3231;1.2045,4.0962,2.5723;1.1447,-.2353,-1.8759;-1.968,-3.1916,1.3184;.8827,-3.6131,1.4487;-1.4052,.6985,-1.3573;-.1353,-1.0485,.6978;1.8919,2.0626,1.6161;1.552,.8059,1.1324;.8892,2.87,2.1054;.2348,.3637,1.1311;-.4294,2.4644,2.138;-.7445,1.2075,1.6495;-1.5183,-1.168,.1017;-2.0227,-.2387,-.8408;-2.3384,-2.2142,.4893;-3.3586,-.4015,-1.2132;-3.6267,-2.2777,.0262;-4.1862,-1.3814,-.8157;2.4888,-2.0915,-1.8377;2.9752,-3.2559,-1.3563;1.4873,-1.3577,-1.2527;2.379,-3.6893,-.2324;.9303,-1.7941,-.0631;1.3495,-3.0455,.4539;2.9006,-1.7534,-2.6986;-4.2121,-3.0508,.3155;1.5398,-.026,-2.7796;.274,.241,-1.6163;-.977,-3.3565,1.4982;-2.604,-3.9527,1.5041;2.6922,-4.5721,.1502;-3.7252,.2763,-1.8688;-.1872,-1.5886,1.6489;2.9192,2.4077,1.6126;2.3401,.1633,.7592;-1.1924,3.1222,2.5376;-1.7784,.8821,1.6746; Method DFT(GTOs) Exchange PBE PBE kappa parameter XKappa 0.804000 XMuePBE 0.219520 Correlation PBE PBE beta parameter CBetaPBE 0.066725 LDAOpt PW91-LDA PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.250000 ScalDFX 0.750000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF NL short-range parameter 6.900000 RI-approximation to the Coulomb term is turned on functions 4411 RIJ-COSX (HFX calculated with COS-X)) on IntName 3c-f_dmso__TDDFT HFTyp RHF Charge 0 Mult 1 NEL 202 Dim 723 ENuc 2658.1090849015 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) 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 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 1.000e-12 Eh TCut 1.000e-14 Eh ConvCheckMode Total+1el-Energy ConvForced 1 TolE 1.000e-09 Eh 1-El. energy change 1.000e-06 Eh TolG 2.000e-06 TolX 2.000e-06 TolErr 1.000e-08 Smallest eigenvalue 4.533e-07 Time for diagonalization 0.078 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.059 sec Total time needed 0.140 sec PBE0 aug-cc-pVDZ AutoAux D4 VeryTightSCF pal nproc 22 end %basis PCDTrimAuxJ Coulomb PCDTrimAuxJK Coulomb PCDTrimAuxC Coulomb PCDThresh -1 end 0 1 maxcore 10000 %cpcm SMD true SMDSolvent "dmso" tddft nroots 200 maxdim 100 DoNTO true NTOStates 1,2,3,4,5,6,7,8,9,10 379.32790319999987 AuxInfo=1/0/N:10,14,9,13,12,11,8,15,25,17,23,16,26,20,22,3,5,4,19,21,18,24,7,6,2,1/E:(1,2)(3,4)(8,9)(10,11)(12,13)(14,15)(17,18)(19,20)(21,22)(23,24)(25,26)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,23.1,24.1,25.1,26.1/rA:39nS1S1FNNO1O1CC3C3C3C3C3C3C3C3C3NNC3NC3C3NC3C3HHHHHHHHHHHHH/rB:;;;;;;;;s9;s3s9;s8s10;s11;s12s13;s8;s7s15;s5s15;s16;s17;s2s18s19;;s1s21;s4s21;s22;s8s23;s6s24s25;s21;s19;s4;s4;s5;s5;s24;s18;s8;s9;s10;s13;s14;/rC:4.2094,-4.0809,-2.1181;-5.7706,-1.5083,-1.3231;1.2045,4.0962,2.5723;1.1447,-.2353,-1.8759;-1.968,-3.1916,1.3184;.8827,-3.6131,1.4487;-1.4052,.6985,-1.3573;-.1353,-1.0485,.6978;1.8919,2.0626,1.6161;1.552,.8059,1.1324;.8892,2.87,2.1054;.2348,.3637,1.1311;-.4294,2.4644,2.138;-.7445,1.2075,1.6495;-1.5183,-1.168,.1017;-2.0227,-.2387,-.8408;-2.3384,-2.2142,.4893;-3.3586,-.4015,-1.2132;-3.6267,-2.2777,.0262;-4.1862,-1.3814,-.8157;2.4888,-2.0915,-1.8377;2.9752,-3.2559,-1.3563;1.4873,-1.3577,-1.2527;2.379,-3.6893,-.2324;.9303,-1.7941,-.0631;1.3495,-3.0455,.4539;2.9006,-1.7534,-2.6986;-4.2121,-3.0508,.3155;1.5398,-.026,-2.7796;.274,.241,-1.6163;-.977,-3.3565,1.4982;-2.604,-3.9527,1.5041;2.6922,-4.5721,.1502;-3.7252,.2763,-1.8688;-.1872,-1.5886,1.6489;2.9192,2.4077,1.6126;2.3401,.1633,.7592;-1.1924,3.1222,2.5376;-1.7784,.8821,1.6746; Epsilon 46.8260 Refrac 1.4170 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM S F N O C H 2.4900 1.7300 1.8900 2.2940 1.8500 1.2000 Solvent: DMSO Soln 1.4170 Soln25 1.4773 Sola 0.0000 Solb 0.8800 Solg 61.7800 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 1865 GEPOL Volume 2902.4892 GEPOL Surface-area 1422.4910 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.2s) Overall time for CPCM initialization 0.3s -1953.39111800 2658.10908490 -4611.50020291 -7963.51991535 3352.01971244 -0.06012237 -3899.54466929 1946.15355128 2.00371891 101.000182536682 101.000182536682 202.000365073364 -148.756254145241 -7.087638516361 -155.843892661602 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 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39.4094 39.5384 39.8296 39.9321 40.1207 40.4352 40.6531 40.8199 40.9027 41.0845 41.3074 41.4225 41.6375 41.7594 41.8759 41.9091 42.2719 42.3624 42.5071 42.5990 42.7182 42.8572 43.1582 43.4560 43.4760 43.6753 43.7434 43.8328 43.9745 44.0707 44.2189 44.6021 44.7054 44.9802 45.1342 45.2791 45.5189 45.8343 45.9828 46.1441 46.2959 46.3334 46.5656 46.6989 46.8711 47.2076 47.2395 47.3790 47.4470 47.7419 48.0518 48.1252 48.3955 48.5497 48.6288 48.7735 49.0787 49.2022 49.4755 49.6660 49.9681 50.0467 50.2475 50.4724 50.6215 50.7779 50.9238 51.0816 51.1695 51.3515 51.4054 51.6574 51.9052 52.0762 52.3392 52.5167 52.7612 52.9178 53.1804 53.2820 53.4721 53.8487 53.9729 54.0677 54.2049 54.3908 54.5009 54.9327 55.0335 55.1801 55.2559 55.5660 55.6768 55.9130 56.0321 56.2804 56.5615 56.7074 56.8999 57.1744 57.2761 57.3525 57.3912 57.7974 57.8372 58.0968 58.3886 58.6611 58.8450 58.9852 59.1589 59.3822 59.5085 60.0359 60.1748 60.2711 60.8561 60.9209 61.1738 61.2103 61.3846 61.7771 61.9600 62.1367 62.2297 62.5827 62.7066 62.9176 63.2865 63.4516 63.5553 63.8147 64.1201 64.3497 64.6637 64.7923 65.2031 65.5590 65.7558 66.0849 66.1770 66.5122 66.6620 66.8462 66.9483 67.1671 67.4054 67.6177 67.8897 68.2280 68.4504 68.6648 68.8520 69.1168 69.3293 69.5256 69.6508 69.7273 69.8617 69.9858 70.0930 70.2041 70.7180 70.7447 71.1753 71.6709 72.1402 72.5075 72.7646 72.9089 73.6271 73.6721 73.8827 74.1713 74.4533 74.9224 75.2922 75.3826 76.1470 76.2067 77.0262 77.3941 78.3825 78.8587 79.0160 79.1039 80.3599 80.4085 80.8096 81.4432 81.5850 82.2963 82.7734 83.1014 84.3334 84.6255 85.4187 86.2180 86.4633 86.6935 87.5256 88.5987 89.0154 90.6502 90.7578 91.1993 91.8597 94.3873 95.0370 95.2493 95.6743 95.8590 96.2226 96.9903 98.0836 98.2144 98.8802 99.3030 99.8953 100.2125 100.7755 102.5890 104.1737 104.9095 105.3643 106.4661 107.7226 109.7587 122.3731 125.3876 125.5162 125.7174 128.2246 128.9851 129.1855 131.1270 136.8969 0.0000000 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 S S F N N O O C C C C C C C C C C N N C N C C N C C H H H H H H H H H H H H H -0.315933 -0.312964 -0.652409 -0.126485 -0.190765 -0.916243 -0.991708 1.280991 -0.438369 1.277295 0.142509 1.464348 -0.418343 1.184624 1.339226 0.315486 0.560509 -0.428130 -0.503565 0.462654 -0.342579 0.456490 -0.412113 -0.494709 1.072143 0.794025 -0.010385 0.026670 -0.053463 0.045889 -0.036316 -0.020586 0.024069 0.001048 -0.517943 -0.679038 -0.937849 -0.674984 -0.973096 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 S S F N N O O C C C C C C C C C C N N C N C C N C C H H H H H H H H H H H H H 0.466142 0.466899 0.104952 0.373117 0.370626 0.095338 0.113731 -0.084774 0.048941 0.052059 -0.254718 -0.136621 0.048444 0.053182 -0.046225 -0.332999 -0.178097 0.156163 0.165785 -0.715523 0.166173 -0.715414 -0.191477 0.155284 -0.051413 -0.333344 0.053839 0.054140 0.032446 -0.101234 -0.090181 0.032090 0.045420 0.044900 0.037669 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-0.7884 0.4323 0.3960 0.3864 1.1249 -0.5497 -0.1619 0.1507 0.1472 0.4546 0.1601 -0.1386 -0.1505 -0.1130 -0.1342 -0.1172 0.1356 0 21 0 22 1 19 2 8 2 9 2 10 2 12 3 11 3 22 3 24 3 28 3 29 4 7 4 14 4 16 4 24 4 30 4 31 5 7 5 16 5 25 5 30 6 7 6 11 6 14 6 15 6 17 6 22 6 24 6 29 7 8 7 9 7 10 7 11 7 12 7 13 7 14 7 15 7 16 7 17 7 21 7 22 7 24 7 25 7 29 7 34 7 36 7 38 8 9 8 10 8 11 8 12 8 13 8 22 8 25 8 36 8 37 8 38 9 10 9 11 9 12 9 13 9 15 9 16 9 22 9 24 9 25 9 36 9 38 10 11 10 12 10 13 10 22 10 25 10 35 10 36 10 37 10 38 11 12 11 13 11 14 11 15 11 24 11 29 11 34 11 36 11 37 11 38 12 13 12 14 12 15 12 16 12 36 12 38 13 16 13 24 13 25 13 34 13 36 13 37 13 38 14 15 14 16 14 18 14 19 14 20 14 22 14 24 14 25 14 27 14 30 14 34 14 38 15 16 15 17 15 19 15 24 15 29 15 33 15 38 16 17 16 18 16 19 16 22 16 24 16 27 16 31 16 34 16 38 17 18 17 19 17 33 18 19 18 27 19 27 19 33 20 21 20 22 20 24 20 26 21 22 21 23 21 25 21 26 21 32 22 24 22 25 22 36 23 24 23 25 23 32 24 25 24 29 24 30 24 32 24 34 24 36 25 30 25 32 25 36 28 29 30 31 30 34 SINGLET 1 0.151847 96 97 97 97 98 99 a a a a a a 101 101 102 103 101 101 a a a a a a 0.010468 0.016713 0.360726 0.020063 0.532021 0.031636 -0.10231208 0.12927784 0.60060498 -0.14164475 -0.72939786 -0.17786442 2 0.152014 97 98 98 98 99 a a a a a 101 101 102 103 102 a a a a a 0.548667 0.011558 0.373629 0.018956 0.016335 0.74072027 0.10750941 -0.61125238 0.13768205 -0.12780785 3 0.154152 100 a 101 a 0.958183 -0.97886843 4 0.165250 99 100 100 a a a 101 102 103 a a a 0.010856 0.560156 0.383918 -0.10419306 0.74843559 0.61961133 5 0.167907 100 100 a a 102 103 a a 0.398618 0.560022 -0.63136200 0.74834639 6 0.176109 94 100 a a 103 104 a a 0.015966 0.928798 -0.12635649 -0.96374189 7 0.176970 98 99 a a 101 101 a a 0.024452 0.897997 -0.15637076 0.94762697 8 0.180796 95 99 99 100 a a a a 101 102 103 105 a a a a 0.010494 0.644653 0.229499 0.042041 -0.10244138 0.80290266 0.47906047 -0.20503921 9 0.180970 89 90 94 95 99 100 a a a a a a 101 102 103 104 103 105 a a a a a a 0.014712 0.011918 0.012538 0.018645 0.131059 0.770025 0.12129476 -0.10916912 -0.11197219 0.13654712 -0.36202087 -0.87751043 10 0.184233 98 98 99 99 100 a a a a a 102 103 102 103 105 a a a a a 0.016235 0.021495 0.242361 0.514309 0.102128 -0.12741806 -0.14661042 0.49230206 -0.71715318 0.31957524 11 0.185847 99 100 100 a a a 108 106 107 a a a 0.019320 0.914218 0.022975 -0.13899703 -0.95614746 0.15157630 12 0.187438 91 96 97 97 97 97 98 98 98 98 99 99 99 100 a a a a a a a a a a a a a a 103 103 102 103 104 105 102 103 104 105 103 104 105 105 a a a a a a a a a a a a a a 0.014943 0.014464 0.021975 0.349162 0.023028 0.034491 0.016893 0.298474 0.026199 0.037168 0.033500 0.046122 0.015492 0.013833 0.12224134 0.12026698 0.14823981 0.59089933 0.15175075 0.18571666 -0.12997353 -0.54632811 -0.16186221 -0.19278928 0.18303090 -0.21476090 -0.12446581 -0.11761357 13 0.188596 96 96 97 97 97 97 98 98 98 99 100 a a a a a a a a a a a 101 104 101 103 104 105 102 103 104 104 107 a a a a a a a a a a a 0.145689 0.011284 0.010491 0.018343 0.015388 0.014252 0.021340 0.095409 0.010866 0.126151 0.424658 0.38169242 0.10622698 0.10242503 0.13543745 -0.12404780 -0.11938210 0.14608060 0.30888417 -0.10424136 -0.35517704 0.65165794 14 0.188742 96 97 97 98 98 99 100 a a a a a a a 101 101 102 101 103 104 107 a a a a a a a 0.691066 0.024073 0.023992 0.040941 0.030667 0.029572 0.068912 -0.83130390 -0.15515394 0.15489333 0.20233800 0.17512040 -0.17196496 0.26251022 15 0.189066 97 97 97 98 98 98 98 99 99 100 a a a a a a a a a a 103 104 105 102 103 104 105 104 105 107 a a a a a a a a a a 0.104299 0.043578 0.023115 0.025413 0.180320 0.045462 0.023263 0.059162 0.040751 0.379046 0.32295402 -0.20875455 -0.15203482 0.15941539 0.42464084 -0.21321863 -0.15252150 -0.24323212 -0.20186775 -0.61566723 16 0.191057 95 97 97 98 98 98 99 99 100 a a a a a a a a a 103 102 103 103 104 105 104 105 107 a a a a a a a a a 0.042316 0.025921 0.141708 0.028819 0.076995 0.045476 0.453955 0.054773 0.035564 0.20570798 -0.16100051 -0.37644116 -0.16976109 0.27747998 0.21325035 -0.67376146 -0.23403623 -0.18858437 17 0.193814 95 97 97 97 98 98 98 a a a a a a a 101 101 102 104 101 102 103 a a a a a a a 0.013476 0.272923 0.094543 0.010839 0.140106 0.379255 0.029355 -0.11608624 -0.52242039 -0.30747880 -0.10411179 -0.37430788 -0.61583686 0.17133266 18 0.194243 96 96 96 97 97 97 98 98 98 99 a a a a a a a a a a 101 102 103 101 102 103 101 102 103 105 a a a a a a a a a a 0.065466 0.094675 0.027773 0.062157 0.369458 0.019237 0.175715 0.099595 0.011860 0.015899 0.25586289 0.30769342 0.16665140 -0.24931208 0.60783020 -0.13869914 0.41918373 -0.31558608 0.10890474 0.12609058 19 0.194842 93 93 95 95 96 96 96 96 97 98 98 99 99 99 100 100 a a a a a a a a a a a a a a a a 106 107 101 103 101 103 104 105 102 101 104 104 105 106 107 108 a a a a a a a a a a a a a a a a 0.025078 0.067077 0.104791 0.024396 0.011905 0.084051 0.154601 0.031494 0.039382 0.023846 0.010130 0.012968 0.257820 0.013006 0.015103 0.017597 0.15836151 -0.25899254 -0.32371437 0.15619150 0.10910843 -0.28991560 -0.39319389 0.17746455 0.19844804 0.15442226 0.10064951 0.11387523 -0.50775948 -0.11404186 0.12289608 -0.13265373 20 0.195688 99 99 100 a a a 106 107 108 a a a 0.177165 0.042296 0.691686 -0.42090958 -0.20566060 -0.83167637 21 0.196093 94 95 96 96 96 98 99 a a a a a a a 102 101 102 103 104 102 105 a a a a a a a 0.064639 0.700601 0.010137 0.034934 0.013743 0.018582 0.037087 -0.25424167 0.83701894 -0.10068182 -0.18690683 -0.11722965 -0.13631531 -0.19257938 22 0.196663 93 96 96 96 96 97 97 98 98 99 a a a a a a a a a a 107 102 103 104 105 101 102 101 102 105 a a a a a a a a a a 0.010321 0.421524 0.275591 0.026212 0.014429 0.024848 0.019728 0.014228 0.019700 0.071933 -0.10159026 0.64924854 0.52496776 -0.16190139 0.12012160 0.15763181 -0.14045656 -0.11928206 0.14035722 -0.26820244 23 0.199251 91 96 96 96 96 97 99 99 a a a a a a a a 103 101 102 103 104 101 104 105 a a a a a a a a 0.020257 0.011379 0.371637 0.417917 0.014889 0.011040 0.020810 0.057391 -0.14232655 -0.10667381 0.60962019 -0.64646482 -0.12201936 0.10507063 -0.14425551 0.23956429 24 0.201126 94 95 96 99 a a a a 101 102 104 105 a a a a 0.437153 0.403450 0.017571 0.032028 -0.66117546 0.63517681 -0.13255397 0.17896282 25 0.201651 93 93 94 94 94 95 96 96 96 96 97 98 99 99 99 a a a a a a a a a a a a a a a 101 107 101 104 105 102 102 103 104 105 104 104 104 105 107 a a a a a a a a a a a a a a a 0.010445 0.023640 0.018825 0.017911 0.013452 0.044224 0.022821 0.031281 0.262924 0.054221 0.034719 0.036174 0.101470 0.239299 0.011970 -0.10220215 -0.15375361 0.13720480 0.13383231 -0.11598224 -0.21029612 -0.15106602 0.17686559 -0.51276148 0.23285390 -0.18632991 0.19019345 -0.31854312 0.48918212 0.10940842 26 0.205510 95 96 97 97 98 98 98 98 98 99 a a a a a a a a a a 103 105 103 108 104 105 106 107 109 106 a a a a a a a a a a 0.018213 0.036839 0.036658 0.239766 0.046753 0.015657 0.309222 0.086216 0.013589 0.074425 0.13495434 -0.19193558 0.19146264 -0.48965934 0.21622503 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