Orca 5.0.3 RELEASE 1 2 3 11s6p2d1f 11s6p2d1f 5s2p1d 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 C C C C C C C C C O C C O O C C C C C C C H H H H H H H H H H H H 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 264.1907999999999 AuxInfo=1/0/N:19,18,20,1,2,17,21,6,3,7,16,5,4,8,15,11,9,12,13,14,10/E:(2,3)(6,7)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.3,16.3,17.3,18.3,19.1,20.1/rA:33nC3C3C3CC3C3C3C3C3OC3C3O1O1CC3C3C3C3C3C3HHHHHHHHHHHH/rB:s1;s2;s3;s4;s1s5;s5;s7;s8;s9;s8;s10s11;s9;s12;s4s11;s15;s16;s17;s18;s19;s16s20;s1;s2;s3;s4;s6;s7;s15;s17;s18;s19;s20;s21;/rC:-4.9388,.7395,.8986;-4.585,-.6241,1.2819;-3.4237,-1.1602,.9066;-2.4495,-.4247,.0316;-2.73,1.068,-.0728;-4.0645,1.5335,.2629;-1.7826,1.9023,-.5482;-.471,1.3574,-.7805;.7031,2.0294,-1.4098;1.7714,1.16,-1.3241;-.0845,.1437,-.3683;1.3611,-.0019,-.661;.7852,3.107,-1.9073;2.1236,-.8792,-.4136;-.9857,-.7763,.3958;-.7029,-2.2473,.1648;-.715,-2.7779,-1.1228;-.484,-4.1296,-1.3314;-.2363,-4.9696,-.2514;-.2161,-4.4473,1.034;-.4487,-3.0923,1.2383;-5.9172,1.1191,1.17;-5.284,-1.1933,1.8831;-3.1647,-2.1761,1.1815;-2.6067,-.8056,-.9924;-4.3141,2.5625,.0295;-1.9768,2.9506,-.7361;-.8341,-.5673,1.4642;-.8945,-2.1284,-1.9736;-.4904,-4.5281,-2.3392;-.053,-6.0251,-.4141;-.0144,-5.0927,1.8811;-.4255,-2.6867,2.2442; Method DFT(GTOs) Exchange WB97X-V Correlation WB97X-V PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.167000 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 0.833000 Range separation parameter mu (erf(mu*r12)/r12) 0.300000 RI-approximation to the Coulomb term is turned on functions 1161 RIJ-COSX (HFX calculated with COS-X)) on IntName UV_close HFTyp RHF Charge 0 Mult 1 NEL 144 Dim 819 ENuc 1563.5073844570 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 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-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 TolG 5.000e-05 TolX 5.000e-05 TolErr 1.000e-06 Smallest eigenvalue 6.058e-06 Time for diagonalization 0.121 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.057 sec Total time needed 0.182 sec 0 1 wB97X-D3BJ def2-TZVPP maxcore 1000 %TDDFT NROOTS 100 PAL nprocs 8 264.1907999999999 AuxInfo=1/0/N:19,18,20,1,2,17,21,6,3,7,16,5,4,8,15,11,9,12,13,14,10/E:(2,3)(6,7)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.3,16.3,17.3,18.3,19.1,20.1/rA:33nC3C3C3CC3C3C3C3C3OC3C3O1O1CC3C3C3C3C3C3HHHHHHHHHHHH/rB:s1;s2;s3;s4;s1s5;s5;s7;s8;s9;s8;s10s11;s9;s12;s4s11;s15;s16;s17;s18;s19;s16s20;s1;s2;s3;s4;s6;s7;s15;s17;s18;s19;s20;s21;/rC:-4.9388,.7395,.8986;-4.585,-.6241,1.2819;-3.4237,-1.1602,.9066;-2.4495,-.4247,.0316;-2.73,1.068,-.0728;-4.0645,1.5335,.2629;-1.7826,1.9023,-.5482;-.471,1.3574,-.7805;.7031,2.0294,-1.4098;1.7714,1.16,-1.3241;-.0845,.1437,-.3683;1.3611,-.0019,-.661;.7852,3.107,-1.9073;2.1236,-.8792,-.4136;-.9857,-.7763,.3958;-.7029,-2.2473,.1648;-.715,-2.7779,-1.1228;-.484,-4.1296,-1.3314;-.2363,-4.9696,-.2514;-.2161,-4.4473,1.034;-.4487,-3.0923,1.2383;-5.9172,1.1191,1.17;-5.284,-1.1933,1.8831;-3.1647,-2.1761,1.1815;-2.6067,-.8056,-.9924;-4.3141,2.5625,.0295;-1.9768,2.9506,-.7361;-.8341,-.5673,1.4642;-.8945,-2.1284,-1.9736;-.4904,-4.5281,-2.3392;-.053,-6.0251,-.4141;-.0144,-5.0927,1.8811;-.4255,-2.6867,2.2442; 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85.6664 85.8526 86.0006 86.1680 86.3119 86.4159 86.4883 86.7456 86.8180 86.9558 87.1056 87.4815 87.6726 87.8412 87.9028 88.0434 88.3188 88.4167 88.7381 88.8587 88.9701 89.0413 89.1309 89.3379 89.5026 89.6982 89.7153 90.0850 90.1863 90.3245 90.4247 90.5979 90.6996 90.9837 91.3394 91.4417 91.7851 91.9727 92.0793 92.1833 92.3352 92.5150 92.8528 92.9827 93.1755 93.2734 93.4510 93.5841 93.7516 93.8580 94.0458 94.1297 94.2339 94.3767 94.5832 94.7571 95.0071 95.2360 95.4409 95.4711 95.7724 95.9503 96.0486 96.0890 96.3423 96.5854 96.8071 97.1066 97.2520 97.4689 97.5586 97.7854 97.8911 98.0601 98.3385 98.5709 98.6805 99.0838 99.1292 99.3336 99.4471 99.6602 99.8960 100.1180 100.3255 100.3701 100.5599 100.9191 101.0445 101.6365 101.7878 101.9644 102.4534 102.6176 102.9724 103.1300 103.2486 103.6310 103.8907 104.0025 104.5105 104.6400 104.8198 105.1228 105.2567 105.4370 105.6382 105.8237 106.0161 106.2982 106.3950 106.5132 106.6702 106.8888 107.0627 107.1554 107.3724 107.5182 107.6204 107.8496 108.1702 108.2886 108.8600 109.2033 109.3814 109.6780 109.8213 109.9504 110.1488 110.4333 110.5618 110.7098 110.9876 111.2927 111.6675 111.7195 111.9753 112.0871 112.2892 112.7989 113.1475 113.3320 113.9450 114.1914 114.5305 114.6623 115.1031 115.2952 115.5580 115.6764 116.0256 116.0882 116.3320 116.6080 116.9921 117.2422 117.6622 117.8778 118.0234 118.1988 118.3959 118.6811 118.8272 118.9627 119.0938 119.3571 119.4710 119.7282 119.8796 120.1621 120.2648 120.3992 120.5844 120.8362 121.1369 121.2336 121.4476 122.0526 122.1948 122.5688 122.9687 123.4107 123.5981 123.7546 124.2914 124.4909 124.9186 125.7532 125.9002 126.1128 126.4921 126.7531 127.0215 127.2956 127.7568 128.2339 128.3697 128.7527 128.9916 129.0552 129.1975 129.6329 129.6488 129.8970 130.4919 130.5960 130.9313 131.2436 131.5062 131.6960 132.0979 132.3164 132.6404 132.8782 133.1182 133.3082 133.5362 134.0279 134.7146 134.9824 135.3497 135.6151 136.3470 136.7151 137.0294 137.7137 138.1726 138.2143 138.6726 138.7419 139.2381 139.2898 140.0302 140.5816 140.9565 141.7343 142.3334 142.6727 142.7226 142.9272 143.1458 143.3029 143.5732 144.2229 144.3433 144.4005 144.8577 145.3130 145.5150 145.5515 145.7509 146.1078 146.3219 146.7396 147.2379 147.7990 148.3528 148.7463 148.9398 149.3266 149.6522 150.1936 150.8239 150.9913 151.5936 152.2189 152.7767 153.3876 153.8448 154.0573 155.0490 155.2007 155.8683 156.3935 156.9943 157.9290 158.4072 159.0313 159.1281 159.5459 159.7875 160.4301 161.2640 161.7107 163.2933 163.9470 164.2553 164.7657 167.8425 168.3303 169.5281 171.3153 171.9231 172.0511 172.7771 173.7244 175.6882 176.4890 176.5178 179.6398 180.3357 181.2676 181.8781 184.0175 184.9093 185.9721 187.6048 187.7786 188.1554 188.4651 193.7710 195.6553 196.5997 198.3017 199.9594 201.4133 206.0817 617.6992 621.8754 624.7612 627.7213 629.0170 631.3426 632.6646 634.4511 635.1218 635.5125 637.5940 637.9622 638.4682 642.1488 645.1355 649.0974 652.3043 658.8826 1197.6298 1199.3725 1203.8293 -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 C C C C C C C C C O C C O O C C C C C C C H H H H H H H H H H H H -0.081797 -0.121852 -0.247043 0.159783 0.012373 -0.183737 -0.190659 0.014562 0.278022 -0.171317 -0.225051 0.257006 -0.240916 -0.228559 0.270924 0.000027 -0.161082 -0.140677 -0.113832 -0.118027 -0.189807 0.128551 0.127622 0.124802 0.100650 0.116400 0.134329 0.093356 0.113667 0.124683 0.124283 0.123802 0.109515 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 C C C C C C C C C O C C O O C C C C C C C H H H H H H H H H H H H 0.006469 -0.023702 0.030455 -0.025310 -0.020039 0.002802 0.008626 -0.056808 -0.379486 0.307280 -0.033810 -0.376004 0.168694 0.179883 -0.029004 -0.063211 0.001281 -0.005706 -0.009862 -0.007511 -0.001187 0.021131 0.019098 0.024046 0.058881 0.025012 0.026609 0.053230 0.020509 0.019703 0.018280 0.019296 0.020355 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 C C C C C C C C C O C C O O C C C C C C C H H H H H H H H H H H H 6.0818 6.1219 6.2470 5.8402 5.9876 6.1837 6.1907 5.9854 5.7220 8.1713 6.2251 5.7430 8.2409 8.2286 5.7291 6.0000 6.1611 6.1407 6.1138 6.1180 6.1898 0.8714 0.8724 0.8752 0.8994 0.8836 0.8657 0.9066 0.8863 0.8753 0.8757 0.8762 0.8905 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 8.0000 6.0000 6.0000 8.0000 8.0000 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 -0.0818 -0.1219 -0.2470 0.1598 0.0124 -0.1837 -0.1907 0.0146 0.2780 -0.1713 -0.2251 0.2570 -0.2409 -0.2286 0.2709 0.0000 -0.1611 -0.1407 -0.1138 -0.1180 -0.1898 0.1286 0.1276 0.1248 0.1006 0.1164 0.1343 0.0934 0.1137 0.1247 0.1243 0.1238 0.1095 3.9543 3.9485 3.9865 3.8421 3.8295 3.9665 3.9399 3.6199 4.3653 2.1771 3.7202 4.3712 2.2750 2.2855 3.7334 3.5621 4.0116 4.0504 4.0064 4.0173 4.0541 0.9978 0.9999 1.0126 1.0082 1.0107 1.0141 1.0098 1.0096 1.0011 0.9996 1.0005 1.0120 3.9543 3.9485 3.9865 3.8421 3.8295 3.9665 3.9399 3.6199 4.3653 2.1771 3.7202 4.3712 2.2750 2.2855 3.7334 3.5621 4.0116 4.0504 4.0064 4.0173 4.0541 0.9978 0.9999 1.0126 1.0082 1.0107 1.0141 1.0098 1.0096 1.0011 0.9996 1.0005 1.0120 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 1.0779 1.8101 0.9690 1.8757 0.9667 0.9392 0.9702 0.9339 0.9579 0.9264 1.0708 1.6993 0.9707 1.1292 0.9423 0.9407 1.6183 1.1122 2.2318 1.0866 0.9832 0.9845 2.2257 0.7332 0.9666 1.3351 1.3736 1.5077 0.9704 1.4484 0.9613 1.4632 0.9624 1.4869 0.9648 0.9661 0 1 0 5 0 21 1 2 1 22 2 3 2 23 3 4 3 14 3 24 4 5 4 6 5 25 6 7 6 26 7 8 7 10 8 9 8 12 9 11 10 11 10 14 11 13 14 15 14 27 15 16 15 20 16 17 16 28 17 18 17 29 18 19 18 30 19 20 19 31 20 32 SINGLET 1 0.123883 68 71 a a 73 72 a a 0.021872 0.919693 -0.14789246 0.95900606 2 0.158575 66 67 67 67 68 70 70 a a a a a a a 82 72 73 76 72 72 73 a a a a a a a 0.010464 0.537551 0.099316 0.018387 0.021055 0.228941 0.011615 -0.10229440 0.73317864 0.31514411 0.13560025 0.14510337 0.47847767 0.10777081 3 0.178525 68 71 71 a a a 72 73 76 a a a 0.017380 0.892198 0.014316 0.13183345 -0.94456224 0.11964842 4 0.182999 63 66 66 66 67 67 67 67 70 a a a a a a a a a 72 72 73 76 72 73 78 82 72 a a a a a a a a a 0.018040 0.633163 0.112971 0.017533 0.013783 0.019637 0.013106 0.021313 0.054156 -0.13431368 -0.79571541 -0.33611232 -0.13241198 -0.11739955 -0.14013278 -0.11448319 0.14598993 0.23271497 5 0.191081 61 63 66 67 67 68 69 70 70 a a a a a a a a a 72 72 72 72 73 72 75 72 74 a a a a a a a a a 0.017232 0.011398 0.048866 0.068546 0.014127 0.214140 0.010781 0.479037 0.017476 -0.13127090 0.10675993 0.22105602 -0.26181329 -0.11885674 -0.46275243 0.10383099 0.69212512 -0.13219532 6 0.196666 59 65 66 67 68 68 69 69 70 70 71 a a a a a a a a a a a 72 72 72 72 72 73 74 75 72 74 76 a a a a a a a a a a a 0.010122 0.010106 0.011154 0.086448 0.555424 0.012975 0.012574 0.015402 0.110994 0.026330 0.027557 0.10060759 0.10052813 0.10561014 -0.29402045 0.74526769 -0.11390662 0.11213231 0.12410307 0.33315801 -0.16226603 -0.16600364 7 0.205241 68 69 69 69 70 70 70 70 70 71 a a a a a a a a a a 72 72 74 75 72 73 74 75 76 74 a a a a a a a a a a 0.014398 0.239566 0.163735 0.158790 0.033479 0.010323 0.154426 0.143415 0.014201 0.010183 0.11999277 0.48945486 -0.40464209 -0.39848456 0.18297333 -0.10160270 0.39297045 -0.37870184 -0.11916635 0.10091211 8 0.208991 69 69 69 69 70 70 70 a a a a a a a 72 73 74 75 72 74 75 a a a a a a a 0.718051 0.012783 0.017701 0.064522 0.035668 0.082631 0.019380 0.84737868 0.11306105 0.13304324 0.25401263 -0.18885912 -0.28745624 0.13921115 9 0.226519 56 59 60 60 63 63 64 65 65 66 66 68 70 71 71 a a a a a a a a a a a a a a a 72 72 72 73 72 73 72 72 73 72 73 73 73 74 76 a a a a a a a a a a a a a a a 0.016879 0.016711 0.040614 0.036006 0.095763 0.016918 0.404857 0.067615 0.016591 0.029569 0.015606 0.037386 0.031377 0.024962 0.035526 0.12991895 -0.12927105 0.20153032 -0.18975126 -0.30945549 0.13006868 0.63628375 0.26002875 -0.12880644 0.17195538 -0.12492559 -0.19335485 0.17713610 0.15799348 0.18848266 10 0.230953 64 65 68 68 69 69 70 70 71 71 71 a a a a a a a a a a a 72 72 72 73 74 75 73 75 74 76 77 a a a a a a a a a a a 0.030242 0.147395 0.030083 0.014514 0.024981 0.010273 0.015455 0.026390 0.233822 0.343013 0.012105 -0.17390318 -0.38392099 0.17344475 -0.12047497 0.15805265 -0.10135677 0.12431797 0.16244987 0.48355139 0.58567345 0.11002490 11 0.233343 68 69 69 69 70 70 70 71 71 a a a a a a a a a 73 72 74 75 73 74 75 75 76 a a a a a a a a a 0.011603 0.013703 0.153356 0.097834 0.044340 0.180691 0.185879 0.105915 0.098392 -0.10771702 -0.11705951 -0.39160677 0.31278360 -0.21057129 -0.42507784 -0.43113722 -0.32544639 0.31367551 12 0.240676 59 59 60 61 62 63 64 64 65 65 68 68 71 71 a a a a a a a a a a a a a a 72 73 72 72 72 72 72 73 72 73 72 73 72 76 a a a a a a a a a a a a a a 0.082053 0.012157 0.061080 0.104342 0.021192 0.112316 0.129973 0.048767 0.133377 0.015909 0.017245 0.077913 0.010955 0.035923 -0.28644863 -0.11025887 -0.24714296 -0.32302039 -0.14557537 0.33513557 0.36051765 0.22083243 -0.36520804 -0.12613274 0.13132033 -0.27912838 -0.10466516 -0.18953361 13 0.244561 58 59 59 61 61 63 65 67 67 67 70 70 71 71 a a a a a a a a a a a a a a 72 72 73 72 73 72 72 72 73 76 73 75 74 75 a a a a a a a a a a a a a a 0.031570 0.045874 0.010100 0.185944 0.083963 0.012882 0.030805 0.069496 0.048251 0.017160 0.254615 0.013486 0.056641 0.020307 -0.17768066 0.21418164 -0.10049916 -0.43121216 0.28976325 -0.11350046 0.17551301 0.26362030 -0.21966118 -0.13099518 -0.50459372 0.11612847 0.23799433 0.14250338 14 0.249022 63 65 67 69 69 70 70 71 71 71 a a a a a a a a a a 72 72 73 74 75 74 75 74 75 76 a a a a a a a a a a 0.024105 0.030331 0.013177 0.045214 0.030477 0.032381 0.027132 0.360107 0.226530 0.048996 -0.15525930 -0.17415708 -0.11479209 0.21263693 -0.17457735 0.17994670 0.16471735 -0.60008950 -0.47595198 0.22134975 15 0.252233 61 64 65 68 68 70 71 71 a a a a a a a a 72 72 72 72 73 73 75 77 a a a a a a a a 0.049929 0.121836 0.130132 0.017712 0.351339 0.099935 0.048807 0.014475 0.22344810 0.34905069 -0.36073871 0.13308698 0.59273869 -0.31612511 0.22092413 -0.12031278 16 0.255105 55 63 64 65 66 66 66 67 67 67 68 69 70 71 71 71 71 a a a a a a a a a a a a a a a a a 72 72 72 72 72 73 76 72 73 76 73 74 73 75 76 77 78 a a a a a a a a a a a a a a a a a 0.037439 0.133828 0.022294 0.105754 0.040048 0.024846 0.012144 0.012143 0.029596 0.011875 0.023592 0.035620 0.138092 0.065522 0.019622 0.060522 0.011672 0.19349270 0.36582569 0.14931092 0.32519876 -0.20011953 0.15762708 0.11019904 -0.11019731 0.17203626 0.10897190 0.15359643 0.18873178 -0.37160683 -0.25597290 0.14007976 0.24601187 -0.10803565 17 0.258495 56 58 59 60 61 62 63 63 64 65 67 67 68 69 70 70 70 71 71 a a a a a a a a a a a a a a a a a a a 72 72 72 72 72 72 72 73 72 72 72 73 73 74 72 73 76 77 78 a a a a a a a a a a a a a a a a a a a 0.029012 0.011669 0.030835 0.022823 0.048230 0.019866 0.047287 0.019101 0.020683 0.024198 0.010977 0.042774 0.123156 0.016697 0.010589 0.186487 0.017560 0.124499 0.020225 -0.17032865 0.10802219 -0.17559868 0.15107415 0.21961282 0.14094817 -0.21745593 0.13820666 -0.14381604 -0.15555799 -0.10477338 0.20681944 -0.35093587 0.12921657 0.10290235 -0.43184194 0.13251454 -0.35284380 0.14221482 18 0.259721 55 56 57 59 60 60 61 61 63 64 65 65 66 66 67 67 67 67 67 68 70 71 71 71 71 71 a a a a a a a a a a a a a a a a a a a a a a a a a a 72 72 72 72 72 73 72 73 73 73 72 73 72 76 72 73 78 80 82 73 73 74 75 76 77 78 a a a a a a a a a a a a a a a a a a a a a a a a a a 0.042228 0.018131 0.013411 0.036070 0.037017 0.020624 0.154486 0.015156 0.065740 0.023865 0.016977 0.020538 0.053044 0.020390 0.011042 0.020179 0.017377 0.011082 0.024170 0.039789 0.051763 0.013827 0.051145 0.020444 0.014449 0.014760 0.20549377 -0.13465018 -0.11580468 0.18992182 0.19239759 -0.14360946 -0.39304744 0.12310863 0.25639886 -0.15448224 -0.13029518 -0.14331073 -0.23031348 0.14279433 -0.10508261 0.14205281 0.13182242 0.10526964 -0.15546824 0.19947171 0.22751461 -0.11759010 0.22615158 0.14298223 -0.12020310 0.12148890 19 0.259856 60 61 65 68 68 69 70 71 71 71 71 71 71 a a a a a a a a a a a a a 72 72 72 73 76 75 73 74 75 77 78 80 81 a a a a a a a a a a a a a 0.014911 0.014374 0.036416 0.039942 0.012558 0.011864 0.011786 0.082741 0.202658 0.352062 0.032704 0.026863 0.011211 0.12210889 0.11989236 -0.19082947 -0.19985616 0.11206397 -0.10892180 -0.10856227 -0.28764663 0.45017504 0.59334773 -0.18084333 0.16389948 0.10588300 20 0.261715 56 59 60 60 63 63 64 65 65 68 71 71 71 71 71 a a a a a a a a a a a a a a a 72 72 72 73 72 73 73 72 73 76 74 75 76 77 80 a a a a a a a a a a a a a a a 0.016849 0.014575 0.029569 0.012770 0.018060 0.013836 0.015568 0.094943 0.026558 0.013080 0.112259 0.199589 0.244816 0.055709 0.010138 0.12980420 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