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 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 O O O N C C C 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 1 1 1 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 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 350.26169999999973 AuxInfo=1/0/N:13,14,8,9,28,26,27,21,19,24,25,22,10,18,17,12,16,23,20,6,15,7,11,5,4,2,3,1/E:(1,2)(3,4)(6,7)(10,11)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.2,16.3,17.3,18.3,19.3,23.3,25.1,26.1/rA:53nOO1ON1CCCCCC3C3C3CCCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5s6;s5;s5;s6;s1s2s7;s10;s12;s12;s1;s15;s4s15;s16;s16;s3s18;s19;s20s21;s3;s23;s23;s24;s25;s26s27;s6;s7;s8;s8;s8;s9;s9;s9;s10;s13;s13;s13;s14;s14;s14;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-.6718,1.5021,-.021;-1.2225,3.6032,.4982;-.5461,-3.5327,.2568;-2.3655,1.1775,2.8955;1.4921,4.327,-.8887;1.7147,4.221,.5799;1.0258,3.0812,-.1506;.4944,5.3312,-1.4127;2.6647,4.1141,-1.8169;3.0675,4.0229,1.1617;-.3915,2.8139,.1408;3.3728,3.1876,2.1563;2.3743,2.3024,2.8379;4.7748,3.0773,2.6755;-1.9868,1.0884,.3062;-2.1643,-.3302,-.1719;-2.1953,1.1628,1.7595;-1.2609,-1.3085,.2208;-3.2321,-.653,-.9947;-1.4363,-2.6155,-.2046;-3.4015,-1.9659,-1.4106;-2.5137,-2.9522,-1.0197;-.2192,-4.6181,-.5065;-.1744,-5.8532,.1218;.1147,-4.4954,-1.8496;.2097,-6.9731,-.6005;.4841,-5.625,-2.5624;.5336,-6.8665,-1.9444;1.0333,4.8209,1.1792;1.6244,2.1938,-.3194;.9999,6.2799,-1.6019;.0624,4.9956,-2.3572;-.32,5.522,-.7193;3.3651,3.3678,-1.4425;2.3213,3.7861,-2.7992;3.2168,5.0459,-1.9552;3.8607,4.6389,.7467;2.4147,2.4447,3.9201;1.3491,2.483,2.5246;2.6021,1.2485,2.658;5.1382,2.0492,2.604;5.4673,3.7178,2.1308;4.8233,3.3506,3.7323;-2.7292,1.7391,-.1663;-.4236,-1.07,.8646;-3.9332,.1104,-1.3069;-4.2386,-2.2262,-2.0442;-2.6623,-3.9745,-1.3415;-.4333,-5.9286,1.1697;.0907,-3.5277,-2.3344;.2477,-7.9354,-.1076;.7435,-5.5294,-3.6085;.8272,-7.7429,-2.5058; 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 1647 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 200 Dim 1218 ENuc 2418.6063233218 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-04 Converg. threshold II (energy diff.) 1.000e-07 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 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 6.952e-06 Time for diagonalization 0.337 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.274 sec Total time needed 0.623 sec 8 8 8 7 6 6 6 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 1 350.26169999999973 AuxInfo=1/0/N:13,14,8,9,28,26,27,21,19,24,25,22,10,18,17,12,16,23,20,6,15,7,11,5,4,2,3,1/E:(1,2)(3,4)(6,7)(10,11)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.2,16.3,17.3,18.3,19.3,23.3,25.1,26.1/rA:53nOO1ON1CCCCCC3C3C3CCCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5s6;s5;s5;s6;s1s2s7;s10;s12;s12;s1;s15;s4s15;s16;s16;s3s18;s19;s20s21;s3;s23;s23;s24;s25;s26s27;s6;s7;s8;s8;s8;s9;s9;s9;s10;s13;s13;s13;s14;s14;s14;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-.6718,1.5021,-.021;-1.2225,3.6032,.4982;-.5461,-3.5327,.2568;-2.3655,1.1775,2.8955;1.4921,4.327,-.8887;1.7147,4.221,.5799;1.0258,3.0812,-.1506;.4944,5.3312,-1.4127;2.6647,4.1141,-1.8169;3.0675,4.0229,1.1617;-.3915,2.8139,.1408;3.3728,3.1876,2.1563;2.3743,2.3024,2.8379;4.7748,3.0773,2.6755;-1.9868,1.0884,.3062;-2.1643,-.3302,-.1719;-2.1953,1.1628,1.7595;-1.2609,-1.3085,.2208;-3.2321,-.653,-.9947;-1.4363,-2.6155,-.2046;-3.4015,-1.9659,-1.4106;-2.5137,-2.9522,-1.0197;-.2192,-4.6181,-.5065;-.1744,-5.8532,.1218;.1147,-4.4954,-1.8496;.2097,-6.9731,-.6005;.4841,-5.625,-2.5624;.5336,-6.8665,-1.9444;1.0332,4.8209,1.1792;1.6244,2.1938,-.3194;.9999,6.2799,-1.6019;.0624,4.9956,-2.3572;-.32,5.522,-.7193;3.3651,3.3678,-1.4425;2.3213,3.7861,-2.7992;3.2168,5.0459,-1.9552;3.8607,4.6389,.7467;2.4147,2.4447,3.9201;1.3491,2.483,2.5246;2.6021,1.2485,2.658;5.1382,2.0492,2.604;5.4673,3.7178,2.1308;4.8233,3.3506,3.7323;-2.7292,1.7391,-.1663;-.4236,-1.07,.8646;-3.9332,.1104,-1.3069;-4.2386,-2.2262,-2.0442;-2.6623,-3.9745,-1.3415;-.4333,-5.9286,1.1697;.0908,-3.5277,-2.3344;.2477,-7.9354,-.1076;.7435,-5.5294,-3.6085;.8272,-7.7429,-2.5058; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 350.26169999999973 AuxInfo=1/0/N:13,14,8,9,28,26,27,21,19,24,25,22,10,18,17,12,16,23,20,6,15,7,11,5,4,2,3,1/E:(1,2)(3,4)(6,7)(10,11)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.2,16.3,17.3,18.3,19.3,23.3,25.1,26.1/rA:53nOO1ON1CCCCCC3C3C3CCCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5s6;s5;s5;s6;s1s2s7;s10;s12;s12;s1;s15;s4s15;s16;s16;s3s18;s19;s20s21;s3;s23;s23;s24;s25;s26s27;s6;s7;s8;s8;s8;s9;s9;s9;s10;s13;s13;s13;s14;s14;s14;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-.6718,1.5021,-.021;-1.2225,3.6032,.4982;-.5461,-3.5327,.2568;-2.3655,1.1775,2.8955;1.4921,4.327,-.8887;1.7147,4.221,.5799;1.0258,3.0812,-.1506;.4944,5.3312,-1.4127;2.6647,4.1141,-1.8169;3.0675,4.0229,1.1617;-.3915,2.8139,.1408;3.3728,3.1876,2.1563;2.3743,2.3024,2.8379;4.7748,3.0773,2.6755;-1.9868,1.0884,.3062;-2.1643,-.3302,-.1719;-2.1953,1.1628,1.7595;-1.2609,-1.3085,.2208;-3.2321,-.653,-.9947;-1.4363,-2.6155,-.2046;-3.4015,-1.9659,-1.4106;-2.5137,-2.9522,-1.0197;-.2192,-4.6181,-.5065;-.1744,-5.8532,.1218;.1147,-4.4954,-1.8496;.2097,-6.9731,-.6005;.4841,-5.625,-2.5624;.5336,-6.8665,-1.9444;1.0333,4.8209,1.1792;1.6244,2.1938,-.3194;.9999,6.2799,-1.6019;.0624,4.9956,-2.3572;-.32,5.522,-.7193;3.3651,3.3678,-1.4425;2.3213,3.7861,-2.7992;3.2168,5.0459,-1.9552;3.8607,4.6389,.7467;2.4147,2.4447,3.9201;1.3491,2.483,2.5246;2.6021,1.2485,2.658;5.1382,2.0492,2.604;5.4673,3.7178,2.1308;4.8233,3.3506,3.7323;-2.7292,1.7391,-.1663;-.4236,-1.07,.8646;-3.9332,.1104,-1.3069;-4.2386,-2.2262,-2.0442;-2.6623,-3.9745,-1.3415;-.4333,-5.9286,1.1697;.0907,-3.5277,-2.3344;.2477,-7.9354,-.1076;.7435,-5.5294,-3.6085;.8272,-7.7429,-2.5058; 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8.1070 8.1451 8.2019 8.3255 8.4025 8.5147 8.7029 8.7346 8.8662 8.9825 9.0921 9.1264 9.3218 9.4682 9.6440 9.6690 9.7093 9.8488 10.0629 10.1225 10.2720 10.3278 10.4125 10.4890 10.5370 10.7445 10.8534 10.9543 11.0266 11.0962 11.1795 11.2698 11.4130 11.4459 11.4677 11.6261 11.8096 11.8605 11.9142 12.0060 12.1484 12.2746 12.3389 12.4255 12.5355 12.6490 12.7115 12.8202 12.9365 12.9510 12.9948 13.1186 13.2990 13.3559 13.3909 13.5130 13.5374 13.5995 13.7161 13.7780 13.8053 13.8935 14.0157 14.1327 14.2120 14.2748 14.3505 14.4434 14.5055 14.6337 14.7569 14.8071 14.9054 14.9877 15.0399 15.0908 15.1508 15.3233 15.3588 15.4994 15.5648 15.5891 15.6310 15.6696 15.7703 15.7799 15.9555 16.0400 16.0718 16.1962 16.2437 16.3692 16.5030 16.7011 16.8208 16.8548 16.9459 17.0370 17.1541 17.2356 17.2718 17.3811 17.5208 17.6749 17.8597 18.1091 18.2543 18.3036 18.5442 18.5877 18.7259 18.7719 19.1134 19.2705 19.3836 19.4954 19.5940 19.6997 19.8121 19.8894 19.9703 20.1382 20.2518 20.3416 20.4102 20.4934 20.6663 20.8348 20.8554 21.0593 21.1379 21.2025 21.3706 21.4781 21.5868 21.6395 21.8252 22.0396 22.3856 22.4454 22.6146 22.6988 22.9051 22.9575 23.2482 23.3136 23.4573 23.5091 23.7580 23.7819 23.9206 24.0255 24.2151 24.3367 24.4297 24.4710 24.6836 24.9044 24.9724 25.2681 25.3194 25.4303 25.6027 25.7115 25.8204 26.2002 26.2602 26.3399 26.4516 26.5842 26.6126 26.9062 26.9952 27.0937 27.2977 27.3675 27.4719 27.7545 27.8511 27.9580 28.0558 28.1952 28.2321 28.3927 28.4438 28.5359 28.5888 28.6863 28.8212 29.0661 29.1421 29.1961 29.2545 29.3695 29.4498 29.6291 29.7302 29.8270 29.9172 30.0688 30.2702 30.4090 30.4791 30.5280 30.8196 30.8642 31.0751 31.1582 31.3133 31.3839 31.5524 31.7426 31.7613 31.9018 32.0019 32.1260 32.2500 32.4611 32.4994 32.6368 32.7607 32.9167 33.0022 33.1149 33.2518 33.4260 33.5144 33.6491 33.8756 33.8948 34.0845 34.2918 34.3435 34.5751 34.6671 34.7682 34.9159 35.1205 35.1699 35.3030 35.4108 35.4398 35.4582 35.6099 35.8013 35.9569 36.1398 36.1509 36.3367 36.5728 36.7314 36.7437 36.7924 37.0996 37.2367 37.3205 37.4260 37.5464 37.6151 37.7835 37.8863 38.0156 38.0962 38.2150 38.3362 38.4523 38.5244 38.6829 38.7325 38.8196 38.9149 38.9878 39.0973 39.2294 39.3637 39.4484 39.5042 39.5905 39.8419 40.0854 40.1739 40.2962 40.3146 40.4454 40.5335 40.6626 40.9370 41.0077 41.2261 41.4107 41.5321 41.5530 41.7878 41.9255 42.0045 42.1624 42.1996 42.3650 42.4001 42.4657 42.7225 42.7743 42.8181 43.0150 43.0512 43.1626 43.2851 43.3546 43.4887 43.5630 43.7895 43.8490 43.8841 43.9976 44.0931 44.2194 44.4823 44.5209 44.6707 44.7653 44.8749 45.1756 45.2504 45.3080 45.4022 45.6624 45.7106 45.8885 45.9220 46.0767 46.2180 46.3989 46.5464 46.6611 46.8372 46.9523 47.1373 47.2106 47.2852 47.4398 47.6003 47.6355 47.8659 47.9738 48.0663 48.0732 48.4158 48.5339 48.6328 48.7365 49.1937 49.4077 49.5220 49.7075 49.7844 49.9947 50.1266 50.2589 50.7814 50.9375 51.1243 51.3844 51.5125 51.6715 52.0501 52.1058 52.4876 52.5608 52.6548 52.9102 53.1900 53.5343 53.8490 53.9118 54.4064 54.4390 54.7630 54.9676 55.1063 55.3426 55.4340 55.5907 55.7964 56.1391 56.3682 56.5692 56.7813 56.8125 57.1416 57.4263 57.5658 57.7337 58.0290 58.1888 58.4058 58.7046 58.8804 59.1182 59.2011 59.5280 59.6605 59.7917 59.9403 60.2819 60.5537 60.6109 61.2010 61.4340 61.6783 62.0352 62.1517 62.3494 62.6814 62.8571 63.0601 63.3057 63.4336 63.7432 64.1320 64.2131 64.4402 64.6926 64.7698 64.9280 65.2748 65.4112 65.6553 66.1354 66.2607 66.3330 66.6962 66.8509 67.0063 67.2112 67.3070 67.5077 67.5883 67.9450 67.9705 68.3614 68.5120 69.1652 69.3104 69.6661 69.7161 69.9601 70.1838 70.3690 70.5855 70.8775 71.0577 71.4046 71.4723 71.7662 72.1198 72.2283 72.3893 72.4263 72.7095 72.8114 73.0793 73.3523 73.4825 73.8292 74.0410 74.2877 74.4606 74.5749 74.6777 74.7672 74.9953 75.2102 75.3621 75.5045 75.5610 75.7011 76.2137 76.2654 76.3344 76.6063 76.7353 76.8623 76.9186 77.2058 77.2307 77.3983 77.6345 77.7031 77.8536 77.9765 78.1523 78.1873 78.3301 78.6079 78.6891 78.9286 78.9779 79.0458 79.1589 79.2334 79.2792 79.3726 79.4574 79.5745 79.6219 79.7430 80.1028 80.1713 80.4082 80.5487 80.7112 80.9454 81.0289 81.0831 81.3046 81.4256 81.4619 81.6208 81.7296 81.7984 81.8378 81.9192 82.0430 82.2424 82.2961 82.4701 82.5042 82.6939 82.8468 82.9066 83.0202 83.3019 83.3270 83.4936 83.6113 83.6922 83.8668 83.9497 84.0395 84.0965 84.3973 84.4411 84.6987 84.7296 84.9066 84.9944 85.1001 85.1441 85.2350 85.3364 85.3904 85.4165 85.4640 85.6019 85.7530 85.8448 86.0285 86.0999 86.1973 86.3534 86.5358 86.6207 86.6926 86.8543 86.9567 87.0412 87.1217 87.3703 87.5652 87.6919 87.8012 88.0114 88.0608 88.3155 88.4248 88.4775 88.5410 88.6417 88.7335 88.7722 88.8620 88.9684 89.0602 89.2161 89.2831 89.5339 89.6895 89.7919 89.8744 89.9573 89.9795 90.2712 90.4941 90.5608 90.6998 90.9715 90.9938 91.0883 91.5651 91.6327 91.7102 91.7858 91.8817 91.9340 92.0218 92.2630 92.3335 92.3739 92.4647 92.6070 92.6855 92.9053 92.9572 93.1102 93.1913 93.2966 93.3877 93.4309 93.5299 93.5499 93.6554 93.8585 94.0678 94.1579 94.3086 94.3252 94.4787 94.5388 94.6336 94.7998 95.0528 95.1882 95.2507 95.3287 95.4567 95.7259 95.7894 96.0949 96.1424 96.3119 96.4220 96.4913 96.5725 96.6918 96.9098 96.9746 97.1221 97.1722 97.2411 97.4145 97.5568 97.6040 97.6884 97.9351 97.9997 98.1184 98.2090 98.3237 98.5551 98.7616 98.8228 98.8710 98.9836 99.1097 99.2153 99.4845 99.5274 99.6496 99.7193 99.7882 99.9882 100.0723 100.3477 100.5900 100.7510 100.8327 100.9444 101.1963 101.3215 101.6906 101.8505 102.0721 102.1989 102.4457 102.5600 102.5904 102.7057 102.9417 103.0532 103.1421 103.4631 103.7184 103.8169 104.0030 104.2123 104.2447 104.4715 104.7066 104.8589 104.9855 105.2308 105.3009 105.3636 105.4906 105.6212 105.7281 105.8419 105.9378 106.0894 106.1755 106.2416 106.3434 106.4839 106.7073 106.8882 106.9646 107.0507 107.1114 107.1735 107.4271 107.5865 107.7128 107.9929 108.0859 108.1545 108.4724 108.5343 108.8066 108.8856 108.9499 109.0846 109.2366 109.2464 109.4215 109.5627 109.6387 109.9278 110.2062 110.3494 110.4089 110.5946 110.7243 110.7783 110.9249 111.0112 111.2096 111.2192 111.4453 111.5335 111.5827 111.8912 111.9688 112.1269 112.2882 112.4208 112.6092 112.7905 112.9839 113.0763 113.2709 113.4446 113.4543 113.7054 113.8776 114.1368 114.2201 114.4099 114.5820 114.7096 114.7644 114.9322 115.0334 115.0887 115.1372 115.2921 115.4947 115.5772 115.8099 115.8793 116.0034 116.0945 116.2102 116.3341 116.4631 116.6200 116.7656 116.9977 117.0542 117.0942 117.2638 117.4516 117.5943 117.6397 117.7198 117.7862 117.8489 118.0208 118.1375 118.2833 118.3508 118.5717 118.6793 118.9639 118.9907 119.2638 119.4588 119.5345 119.8251 119.9410 120.0429 120.1835 120.2311 120.4158 120.5432 120.6270 120.6644 120.8428 120.9004 121.3862 121.5422 121.7583 122.0804 122.2287 122.3033 122.4127 122.7252 122.9373 123.0919 123.1276 123.5034 123.7413 124.0388 124.2112 124.8943 124.9502 125.2336 125.3002 125.5570 125.6447 125.9272 126.2880 126.4421 126.6325 126.7680 126.9401 127.0734 127.4592 127.7243 127.7947 128.0676 128.3654 128.4675 128.7960 128.8681 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152.4776 152.7584 153.0099 153.6091 153.9239 154.4057 154.5501 154.6632 154.9338 155.4777 155.6795 156.1618 156.3238 156.6096 156.9474 157.0124 157.2062 157.2231 157.4504 157.7735 158.5956 158.7390 158.9880 159.1342 159.3945 159.5538 159.7413 159.9546 160.3991 160.6766 161.2198 161.4411 161.8705 161.9812 163.3159 164.0985 164.4409 165.3789 166.6926 167.1092 168.1585 169.3931 170.6583 171.4592 172.1794 172.7915 173.0442 174.0876 176.0701 177.6104 178.6988 178.8903 180.9196 182.6126 185.0251 186.7019 186.9959 187.3677 189.3015 189.7746 192.1278 192.7245 193.5687 195.6071 196.6700 199.2412 202.0973 205.6031 206.6276 207.1265 617.8188 620.0459 620.8056 625.6224 630.6881 631.2529 631.6048 632.2896 633.6848 634.2461 635.1593 636.6123 636.7363 637.3888 639.2079 642.0498 643.0692 643.9244 644.6629 647.7237 650.4701 651.3264 657.3695 658.0795 878.1655 1201.0645 1212.4896 1214.9663 -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 39 40 41 42 43 44 45 46 47 48 49 50 51 52 O O O N C C C 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 -0.270611 -0.366509 -0.294111 -0.004412 0.125868 -0.012819 -0.128479 -0.260007 -0.267370 -0.243684 0.328121 -0.006660 -0.220886 -0.210884 0.335198 0.046391 -0.261167 -0.190755 -0.150245 0.194071 -0.115874 -0.153956 0.232322 -0.200256 -0.164015 -0.094610 -0.115768 -0.140001 0.111261 0.092019 0.084570 0.084616 0.104671 0.087042 0.091150 0.090873 0.093700 0.093311 0.089234 0.088092 0.084880 0.078389 0.089495 0.104970 0.119008 0.112981 0.129583 0.136250 0.128585 0.134155 0.126804 0.128102 0.127369 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 O O O N C C C 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 8.2706 8.3665 8.2941 7.0044 5.8741 6.0128 6.1285 6.2600 6.2674 6.2437 5.6719 6.0067 6.2209 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