Orca 5.0.2 RELEASE 1 2 3 4 5 14s9p3d1f 14s9p3d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s5p3d1f 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 S S S P P O O O O O O 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 1 1 1 2 2 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 446.3101219999998 AuxInfo=1/0/N:24,25,26,27,20,22,21,23,16,18,17,19,14,15,12,13,8,9,10,11,6,7,4,5,2,3,1/E:(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)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,23.4,24.4,25.1,26.1/rA:47nSS1S1P4P4OOOOOOC3C3C3C3C3C3C3C3C3C3C3C3CCCCHHHHHHHHHHHHHHHHHHHH/rB:;;s2;s3;s4;s5;s4;s4;s5;s5;s1;s1;s6;s7;s12;s13;s12;s13;s14s16;s15s17;s14s18;s15s19;s8;s9;s10;s11;s16;s17;s18;s19;s20;s21;s22;s23;s24;s24;s24;s25;s25;s25;s26;s26;s26;s27;s27;s27;/rC:-.0935,-3.1503,.4242;-5.0494,1.5796,2.4651;4.2823,2.3824,-.3434;-5.5448,1.0051,.7091;5.441,.9883,-.9404;-4.3612,.8597,-.3805;5.1201,-.5086,-.4277;-6.4621,1.9601,-.1712;-6.3232,-.3938,.6402;5.5421,.7395,-2.5137;6.9824,1.0992,-.5423;-1.3218,-1.9045,.1652;1.4135,-2.2603,.1695;-3.3605,-.0621,-.1783;3.8694,-1.0386,-.2503;-1.2321,-.6443,.7496;1.6327,-1.4961,-.9721;-2.4394,-2.2307,-.5942;2.4357,-2.4024,1.0996;-2.2451,.2812,.5725;2.851,-.8751,-1.1803;-3.468,-1.3151,-.7577;3.6641,-1.7971,.8892;-7.5499,2.6572,.4228;-6.2323,-1.3897,1.6522;5.7103,1.8398,-3.4014;7.3707,1.4927,.7679;-.3668,-.3826,1.3439;.8461,-1.3832,-1.7063;-2.5044,-3.2014,-1.0679;2.2706,-2.9831,1.9974;-2.1796,1.262,1.023;3.0086,-.2941,-2.0787;-4.3363,-1.5626,-1.354;4.4621,-1.9093,1.6109;-7.8958,3.3795,-.3119;-7.2393,3.1813,1.3277;-8.3674,1.9768,.6659;-6.2173,-.9468,2.6483;-7.1094,-2.0242,1.5494;-5.3343,-1.9934,1.5191;4.9594,2.6107,-3.2221;6.7042,2.2774,-3.2992;5.5965,1.4499,-4.4097;7.156,.7062,1.4931;8.4437,1.6649,.74;6.8632,2.4086,1.0737; 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 1553 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 242 Dim 1172 ENuc 3282.5098187611 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-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 6.023e-06 Time for diagonalization 0.491 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.232 sec Total time needed 0.729 sec 16 16 16 15 15 8 8 8 8 8 8 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 1 446.3101219999998 AuxInfo=1/0/N:24,25,26,27,20,22,21,23,16,18,17,19,14,15,12,13,8,9,10,11,6,7,4,5,2,3,1/E:(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)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,23.4,24.4,25.1,26.1/rA:47nSS1S1P4P4OOOOOOC3C3C3C3C3C3C3C3C3C3C3C3CCCCHHHHHHHHHHHHHHHHHHHH/rB:;;s2;s3;s4;s5;s4;s4;s5;s5;s1;s1;s6;s7;s12;s13;s12;s13;s14s16;s15s17;s14s18;s15s19;s8;s9;s10;s11;s16;s17;s18;s19;s20;s21;s22;s23;s24;s24;s24;s25;s25;s25;s26;s26;s26;s27;s27;s27;/rC:-.0935,-3.1503,.4242;-5.0494,1.5796,2.4651;4.2823,2.3824,-.3434;-5.5448,1.0051,.7091;5.441,.9883,-.9404;-4.3612,.8597,-.3805;5.1201,-.5086,-.4277;-6.4621,1.9601,-.1712;-6.3232,-.3938,.6402;5.5421,.7395,-2.5137;6.9824,1.0992,-.5423;-1.3218,-1.9045,.1652;1.4135,-2.2603,.1695;-3.3605,-.0621,-.1783;3.8694,-1.0386,-.2503;-1.2321,-.6443,.7495;1.6327,-1.4961,-.9721;-2.4394,-2.2307,-.5942;2.4357,-2.4024,1.0996;-2.2451,.2812,.5725;2.851,-.8751,-1.1803;-3.468,-1.3151,-.7577;3.6641,-1.7971,.8892;-7.5499,2.6572,.4228;-6.2323,-1.3897,1.6522;5.7103,1.8398,-3.4014;7.3707,1.4927,.7679;-.3668,-.3826,1.3439;.8461,-1.3832,-1.7063;-2.5044,-3.2014,-1.0679;2.2706,-2.9831,1.9974;-2.1796,1.262,1.023;3.0086,-.2941,-2.0787;-4.3363,-1.5626,-1.354;4.4621,-1.9093,1.6109;-7.8958,3.3795,-.3119;-7.2393,3.1813,1.3277;-8.3674,1.9768,.6659;-6.2173,-.9468,2.6483;-7.1094,-2.0242,1.5494;-5.3343,-1.9934,1.5191;4.9594,2.6107,-3.2221;6.7042,2.2774,-3.2992;5.5965,1.4499,-4.4097;7.156,.7062,1.4931;8.4437,1.6649,.74;6.8632,2.4086,1.0737; 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 4 446.3101219999998 AuxInfo=1/0/N:24,25,26,27,20,22,21,23,16,18,17,19,14,15,12,13,8,9,10,11,6,7,4,5,2,3,1/E:(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)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,23.4,24.4,25.1,26.1/rA:47nSS1S1P4P4OOOOOOC3C3C3C3C3C3C3C3C3C3C3C3CCCCHHHHHHHHHHHHHHHHHHHH/rB:;;s2;s3;s4;s5;s4;s4;s5;s5;s1;s1;s6;s7;s12;s13;s12;s13;s14s16;s15s17;s14s18;s15s19;s8;s9;s10;s11;s16;s17;s18;s19;s20;s21;s22;s23;s24;s24;s24;s25;s25;s25;s26;s26;s26;s27;s27;s27;/rC:-.0935,-3.1503,.4242;-5.0494,1.5796,2.4651;4.2823,2.3824,-.3434;-5.5448,1.0051,.7091;5.441,.9883,-.9404;-4.3612,.8597,-.3805;5.1201,-.5086,-.4277;-6.4621,1.9601,-.1712;-6.3232,-.3938,.6402;5.5421,.7395,-2.5137;6.9824,1.0992,-.5423;-1.3218,-1.9045,.1652;1.4135,-2.2603,.1695;-3.3605,-.0621,-.1783;3.8694,-1.0386,-.2503;-1.2321,-.6443,.7496;1.6327,-1.4961,-.9721;-2.4394,-2.2307,-.5942;2.4357,-2.4024,1.0996;-2.2451,.2812,.5725;2.851,-.8751,-1.1803;-3.468,-1.3151,-.7577;3.6641,-1.7971,.8892;-7.5499,2.6572,.4228;-6.2323,-1.3897,1.6522;5.7103,1.8398,-3.4014;7.3707,1.4927,.7679;-.3668,-.3826,1.3439;.8461,-1.3832,-1.7063;-2.5044,-3.2014,-1.0679;2.2706,-2.9831,1.9974;-2.1796,1.262,1.023;3.0086,-.2941,-2.0787;-4.3363,-1.5626,-1.354;4.4621,-1.9093,1.6109;-7.8958,3.3795,-.3119;-7.2393,3.1813,1.3277;-8.3674,1.9768,.6659;-6.2173,-.9468,2.6483;-7.1094,-2.0242,1.5494;-5.3343,-1.9934,1.5191;4.9594,2.6107,-3.2221;6.7042,2.2774,-3.2992;5.5965,1.4499,-4.4097;7.156,.7062,1.4931;8.4437,1.6649,.74;6.8632,2.4086,1.0737; 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12.6862 12.7862 12.9039 12.9847 13.0235 13.2284 13.4075 13.4166 13.4848 13.5672 13.6184 13.7685 13.8028 13.9364 14.1214 14.1450 14.2407 14.2782 14.3705 14.4450 14.5134 14.5491 14.6219 14.6866 14.7648 14.8525 14.9579 15.0457 15.0910 15.1383 15.2728 15.3570 15.4057 15.4464 15.5606 15.6484 15.8395 15.9793 16.1809 16.2629 16.4140 16.4448 16.4790 16.5836 16.7283 16.8248 17.0000 17.0314 17.3379 17.4823 17.5236 17.7201 17.8287 18.0289 18.1595 18.4177 18.4468 18.7133 18.8116 18.9167 18.9511 19.1028 19.3472 19.4400 19.5495 19.6127 19.7808 19.8445 19.9612 20.0774 20.2881 20.3688 20.5041 20.5933 20.6762 20.8544 20.9846 21.0783 21.2434 21.3097 21.5827 21.7166 21.7425 21.9088 21.9942 22.0476 22.1181 22.3767 22.3893 22.6641 22.8240 22.8761 22.9751 23.2007 23.2801 23.4137 23.5146 23.7335 23.9301 23.9865 24.1574 24.2122 24.2891 24.4080 24.4701 24.5669 24.7108 24.7613 24.9586 24.9921 25.0873 25.2126 25.4372 25.5832 25.7230 25.9220 25.9864 26.1348 26.2824 26.4685 26.5542 26.6202 26.7677 26.9103 26.9843 27.0834 27.2131 27.2688 27.3482 27.5004 27.6970 27.8489 27.8661 28.1474 28.2147 28.4117 28.4186 28.5098 28.5645 28.6587 28.7855 28.8746 29.0140 29.1060 29.2907 29.3467 29.4349 29.6387 29.9381 30.0250 30.2503 30.2721 30.4526 30.5918 30.6246 30.8663 30.9768 31.0508 31.1617 31.2918 31.4132 31.6584 31.7296 31.8474 31.9538 32.1368 32.2689 32.3833 32.4602 32.5717 32.7705 32.9222 33.2759 33.2903 33.5533 33.7286 33.9051 34.1481 34.5315 34.6835 34.9806 35.1645 35.2717 35.4680 35.5722 35.5919 35.7090 35.7742 35.9575 36.0656 36.1245 36.2990 36.4455 36.7340 36.8618 36.9521 37.2350 37.3157 37.4018 37.4899 37.6629 37.9293 38.0724 38.2400 38.3072 38.4486 38.7628 38.8871 39.0223 39.0983 39.2420 39.2674 39.3510 39.5691 39.6333 39.7447 39.8823 39.9906 40.0634 40.2142 40.4553 40.5349 40.6134 40.7315 40.7601 40.9295 40.9970 41.1652 41.2867 41.3192 41.3599 41.4853 41.6608 41.6897 41.8471 42.0438 42.1276 42.3250 42.4016 42.5769 42.7009 42.8361 43.0126 43.1545 43.3193 43.3939 43.5238 43.5666 43.7507 43.7901 43.8700 43.9783 44.0539 44.1485 44.2782 44.3416 44.4942 44.6237 44.7736 44.9240 45.0216 45.0450 45.0988 45.3756 45.4359 45.4970 45.5907 45.7565 45.9032 45.9188 46.4796 46.4884 46.6296 46.7746 46.9424 47.0406 47.1224 47.2604 47.5156 47.5551 47.8958 47.9964 48.1161 48.2553 48.3128 48.4415 48.5648 48.6232 48.9088 49.0479 49.2502 49.2857 49.3590 49.4988 49.6875 49.8582 50.0264 50.2514 50.3374 50.5369 50.6609 51.0279 51.1399 51.4016 51.7529 51.8024 51.9910 52.0565 52.3435 52.5206 52.5771 52.8419 53.2334 53.2440 53.4665 53.6701 54.0009 54.0837 54.2235 54.4518 54.4880 54.5181 54.7472 54.8418 54.9704 55.0741 55.2063 55.3602 55.5776 55.7521 55.8131 55.8191 56.0036 56.0064 56.3264 56.6132 56.6603 56.8783 56.9899 57.0804 57.2705 57.5441 57.7164 57.9969 58.0881 58.5416 58.6980 58.9708 59.1576 59.4404 59.5203 59.6899 59.7440 60.2291 60.5144 60.6724 61.0668 61.1342 61.4634 61.5824 61.9466 62.0504 62.3942 62.5698 62.6561 62.7611 62.9288 63.0033 63.2606 63.4848 63.5779 63.6681 63.9068 64.0364 64.1627 64.2529 64.4276 64.5601 64.6136 65.0359 65.3377 65.4477 65.6368 65.8229 66.1968 66.3365 66.4526 66.7941 66.9303 67.1206 67.7171 68.0181 68.1881 68.4203 68.7465 68.8798 69.2151 69.3174 69.4038 70.2261 70.3856 70.7900 71.4598 71.5683 71.7753 71.8150 71.9317 72.0603 72.1116 72.2832 72.3293 72.5848 72.9707 73.0548 73.4709 73.6432 73.9013 74.2958 74.8058 74.9181 75.1450 75.3207 75.3707 75.8383 75.8787 76.2615 76.3499 76.5999 76.6984 76.8504 77.0567 77.1305 77.2631 77.3334 77.3955 77.5303 77.6456 77.7597 77.8209 77.9211 78.1266 78.3317 78.5142 78.5989 78.6588 78.7226 78.7944 78.8548 79.0445 79.4088 79.6026 79.6937 79.8422 79.9147 80.1139 80.3533 80.6507 80.7218 80.8514 80.9830 81.0900 81.2504 81.3904 81.4714 81.6133 81.6913 81.8828 81.9722 82.0150 82.1005 82.3154 82.5138 82.6127 82.7314 82.8721 83.0227 83.0982 83.2885 83.4743 83.5541 83.6801 83.8094 83.8969 83.9516 84.1656 84.2476 84.3556 84.4877 84.7174 84.7606 84.9264 85.0862 85.2779 85.4125 85.5271 85.6625 85.8295 85.8557 86.0517 86.1230 86.3212 86.3312 86.7182 87.2114 87.3886 87.6992 87.9459 87.9950 88.1743 88.3191 88.6408 88.7122 88.8491 88.9803 89.1492 89.2938 89.3752 89.4411 89.5320 89.7209 89.7689 89.8718 90.1540 90.2895 90.4201 90.7332 91.0472 91.0879 91.1948 91.6602 91.8467 91.9253 92.3962 92.4558 92.5226 92.6334 92.6779 92.7642 92.8647 92.9229 93.0756 93.2170 93.3980 93.5818 93.8060 93.8587 94.0326 94.0470 94.5206 94.7120 95.0078 95.3229 95.4783 95.5625 95.8896 96.0033 96.1299 96.1731 96.3512 96.5435 96.7208 96.8634 97.0549 97.1149 97.1945 97.3076 97.3722 97.4778 97.6759 97.8701 98.0192 98.1559 98.2643 98.6073 98.8413 99.0794 99.2390 99.4365 99.6350 99.9237 100.1532 100.2410 100.2565 100.3779 100.4981 100.5328 100.6511 100.9274 101.0017 101.2226 101.4011 101.4878 101.7263 101.7667 101.9525 102.1658 102.8872 103.0251 103.1000 103.1337 103.4269 103.5089 103.7079 103.9103 104.2004 104.4251 104.6345 105.0435 105.1449 105.2451 105.4389 105.6510 105.7942 105.8643 105.9498 106.0586 106.2199 106.2745 106.5509 106.5869 106.7514 106.8484 107.0046 107.1398 107.2474 107.3222 107.4094 107.4449 107.5603 108.1451 108.4633 108.6057 108.7260 109.0222 109.0575 109.2364 109.3634 109.5507 109.8642 110.2412 111.1277 111.2073 111.5276 111.8042 112.1217 112.1732 112.1886 112.2434 112.2887 112.4495 112.6273 112.7063 112.8323 113.3272 113.5935 113.6961 113.7174 114.0383 114.1866 114.3166 114.4787 114.8017 115.2041 115.7151 115.9967 116.1931 116.2375 116.6220 116.7253 116.7578 116.8478 117.0596 117.2686 117.3707 117.4402 117.8696 118.0079 118.0610 118.0755 118.2164 118.2393 118.3344 118.3712 118.5619 118.9547 119.1355 119.2227 119.4470 119.6198 119.8011 120.3069 120.3538 120.5835 120.7035 120.7385 121.4181 121.5414 122.5810 122.7180 123.2232 123.9636 124.3407 124.5051 124.6805 124.9532 125.0337 125.2145 125.3663 125.7160 125.8608 126.0198 126.1465 126.3087 126.4398 126.6965 126.7288 126.8192 127.2748 128.2518 128.6037 129.9001 130.0837 130.2187 130.5829 130.7858 131.0692 131.1601 131.2828 131.4290 131.6769 131.8296 132.2525 132.5852 132.7509 132.7923 132.8569 133.2015 133.5423 134.5811 134.6495 136.0900 136.1836 136.2151 136.6081 136.9308 137.0356 137.0391 137.2224 138.1789 138.2430 138.2616 138.3818 138.3862 138.5234 138.7065 138.7238 138.7561 138.8515 138.9095 139.1898 139.3096 139.4286 139.6248 139.7246 141.3045 141.4518 141.9362 141.9876 142.7011 142.8263 143.0099 143.2093 143.8402 143.9834 144.0871 144.5848 144.9441 145.2150 145.4455 145.6312 145.9105 146.0628 146.4358 146.5616 146.5758 146.6857 146.7356 146.8489 147.1777 147.1932 147.3999 147.4314 147.5130 147.6148 147.7852 147.8965 148.0995 148.1884 148.3958 148.9504 149.6200 150.4512 150.9968 151.0381 151.1311 151.7238 151.9536 152.1904 152.5225 152.6452 152.7289 152.9011 152.9457 153.0654 153.1246 153.2011 154.3137 154.4153 154.8660 155.0323 155.1904 155.2293 155.5449 155.9053 155.9785 156.4857 156.8290 156.9752 157.0360 157.5607 159.1361 159.7228 160.4447 160.6320 161.1696 161.7558 162.6689 162.8260 163.1589 163.1994 163.5280 163.8133 166.6457 167.1069 167.3116 167.4388 167.5809 168.0833 168.5079 169.4997 170.6535 170.9089 171.5457 171.5861 172.2432 173.1492 175.2572 175.6952 177.6668 178.2907 179.0886 180.0700 181.1487 182.2286 182.7996 183.0610 183.4783 183.5146 183.9545 184.0472 184.2769 184.5262 185.5849 185.8055 186.6041 186.6989 186.8900 187.2815 187.5787 187.6139 188.7252 188.9116 189.1268 189.2200 189.7860 190.0793 190.5163 190.5764 190.7638 191.0415 191.1614 191.6285 192.0758 192.6706 194.7498 195.4927 196.3331 196.6741 197.2936 197.9508 198.1618 198.7399 199.3789 199.8246 200.4216 201.7576 202.5185 203.1216 204.6099 216.2013 216.2485 229.0970 229.7254 230.7631 231.5151 247.0070 247.1417 247.3069 247.7184 249.1002 258.7771 258.9478 259.1252 264.6674 442.2895 442.6427 520.7150 521.4359 559.6573 614.8250 618.1919 628.2029 629.6398 631.3963 631.8157 634.2022 634.9677 636.6680 637.0851 642.3535 642.3783 642.4203 642.7217 653.8597 654.3179 1199.9965 1200.4572 1201.0017 1201.8643 1207.2199 1207.7410 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 S S S P P O O O O O O 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 -0.026404 -0.398571 -0.376867 0.709869 0.697495 -0.316432 -0.312401 -0.302159 -0.323748 -0.315306 -0.316564 0.001506 -0.009589 0.217016 0.226551 -0.103063 -0.112947 -0.102291 -0.113893 -0.136854 -0.108922 -0.201248 -0.151597 -0.129476 -0.104344 -0.127152 -0.121966 0.133663 0.128729 0.117914 0.116625 0.133141 0.113837 0.136560 0.118621 0.117655 0.112870 0.110633 0.112635 0.115516 0.106233 0.111018 0.117815 0.117762 0.111275 0.116444 0.110410 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 S S S P P O O O O O O 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 16.0264 16.3986 16.3769 14.2901 14.3025 8.3164 8.3124 8.3022 8.3237 8.3153 8.3166 5.9985 6.0096 5.7830 5.7734 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