Orca 5.0.4 RELEASE 1 2 3 4 15s8p3d2f1g 24s20p10d4f1g 15s8p3d2f1g 7s3p2d1f 7s4p3d2f1g 11s7p4d4f1g 7s4p3d2f1g 4s3p2d1f 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 F Se F C F F F C C C C C C H H H H H 1 2 1 3 1 1 1 3 3 3 3 3 3 4 4 4 4 4 258.02691599999986 AuxInfo=1/0/N:11,10,12,9,13,8,4,5,6,7,1,3,2/E:(2,3)(4,5)(8,9,10)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3/rA:18nFSeFCFFFC3C3C3C3C3C3HHHHH/rB:s1;s2;s2;s4;s4;s4;s2;s8;s9;s10;s11;s8s12;s9;s10;s11;s12;s13;/rC:-.565,-1.5352,-1.3047;-.6122,-.7836,.3494;-.7567,.1899,1.886;-1.6066,.7699,-.4536;-1.6502,.7032,-1.7668;-2.8436,.7279,.0232;-1.0487,1.9133,-.105;1.213,-.1851,.14;1.7972,.5827,1.14;3.1281,.9487,1.0158;3.8683,.5527,-.0865;3.2735,-.216,-1.0742;1.9441,-.5943,-.9685;1.2371,.8983,2.0051;3.5839,1.5483,1.792;4.9075,.84,-.1742;3.8435,-.531,-1.9377;1.4975,-1.1955,-1.7439; Method DFT(GTOs) Exchange B88 XAlpha 0.666667 XBeta 0.004200 Correlation LYP LDAOpt VWN-5 PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.690000 ScalDFX 0.310000 ScalDFC 0.540000 ScalLDAC 0.540000 Perturbative correction 1.000000 Density functional embedding theory OFF NL short-range parameter 12.000000 RI-approximation to the Coulomb term is turned on functions 701 RIJ-COSX (HFX calculated with COS-X)) on IntName C7F5H5Se_sp_orca HFTyp RHF Charge 0 Mult 1 NEL 126 Dim 923 ENuc 1334.6660421960 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-05 Converg. threshold II (energy diff.) 1.000e-08 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 250 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 2.500e-11 Eh TCut 2.500e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-08 Eh 1-El. energy change 1.000e-05 Eh TolG 1.000e-05 TolX 1.000e-05 TolErr 5.000e-07 Smallest eigenvalue 6.059e-06 Time for diagonalization 0.330 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.242 sec Total time needed 0.578 sec 9 34 9 6 9 9 9 6 6 6 6 6 6 1 1 1 1 1 258.02691599999986 AuxInfo=1/0/N:11,10,12,9,13,8,4,5,6,7,1,3,2/E:(2,3)(4,5)(8,9,10)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3/rA:18nFSeFCFFFC3C3C3C3C3C3HHHHH/rB:s1;s2;s2;s4;s4;s4;s2;s8;s9;s10;s11;s8s12;s9;s10;s11;s12;s13;/rC:-.565,-1.5352,-1.3047;-.6122,-.7836,.3494;-.7567,.1899,1.886;-1.6066,.7699,-.4536;-1.6502,.7032,-1.7668;-2.8436,.7279,.0232;-1.0487,1.9133,-.105;1.213,-.1851,.14;1.7972,.5827,1.14;3.1281,.9487,1.0158;3.8683,.5527,-.0865;3.2735,-.216,-1.0742;1.9441,-.5943,-.9685;1.2371,.8983,2.0051;3.5839,1.5483,1.792;4.9075,.84,-.1742;3.8435,-.531,-1.9377;1.4975,-1.1955,-1.7439; 0 1 SP DSD-BLYP D3BJ def2-QZVPP def2-QZVPP/C def2/J TightSCF output xyzfile=True scf maxiter 250 output Print[P_Hirshfeld] = 1 maxcore 4800 %pal nprocs 8 258.02691599999986 AuxInfo=1/0/N:11,10,12,9,13,8,4,5,6,7,1,3,2/E:(2,3)(4,5)(8,9,10)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3/rA:18nFSeFCFFFC3C3C3C3C3C3HHHHH/rB:s1;s2;s2;s4;s4;s4;s2;s8;s9;s10;s11;s8s12;s9;s10;s11;s12;s13;/rC:-.565,-1.5352,-1.3047;-.6122,-.7836,.3494;-.7567,.1899,1.886;-1.6066,.7699,-.4536;-1.6502,.7032,-1.7668;-2.8436,.7279,.0232;-1.0487,1.9133,-.105;1.213,-.1851,.14;1.7972,.5827,1.14;3.1281,.9487,1.0158;3.8683,.5527,-.0865;3.2735,-.216,-1.0742;1.9441,-.5943,-.9685;1.2371,.8983,2.0051;3.5839,1.5483,1.792;4.9075,.84,-.1742;3.8435,-.531,-1.9377;1.4975,-1.1955,-1.7439; -3168.15713058 1334.66604220 -4502.82317278 -7060.80358502 2557.98041225 -6333.13534138 3164.97821080 2.00100440 63.000017066825 63.000017066825 126.000034133650 -54.092405911282 -2.690257329090 -56.782663240372 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 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833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 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-234.5930 -175.1409 -174.9988 -174.9001 -69.9401 -69.8111 -69.7000 -69.5651 -69.5309 -43.7386 -41.1260 -41.1040 -38.1604 -37.9437 -29.3493 -26.6775 -25.7464 -25.1754 -23.4932 -21.1137 -21.0170 -20.9135 -20.8148 -19.9082 -18.2164 -17.6733 -17.5892 -17.2865 -16.5852 -16.5714 -16.1790 -16.0184 -15.9384 -15.7032 -15.4101 -15.3631 -14.6169 -14.2684 -13.7141 -13.3914 -12.8963 -12.7310 -12.4706 -11.1880 -9.3363 -9.1650 0.2667 1.1659 1.4852 1.9043 2.3201 2.5026 2.6060 2.8699 3.6412 3.9209 3.9921 4.1666 4.3678 4.7177 5.1636 5.3546 5.5306 5.6542 5.8109 6.0071 6.1490 6.5384 6.8017 6.9640 7.4902 7.6655 7.9015 8.0903 8.2266 8.3655 8.6780 8.8549 9.1651 9.3036 9.3708 9.6437 9.9003 10.0118 10.3862 10.4689 10.5575 10.7874 11.1884 11.2639 11.4673 11.5996 11.9442 12.2331 12.3543 12.6096 13.0905 13.2317 13.6285 13.9005 14.0219 14.1510 14.2842 14.4447 14.6335 14.8509 14.9294 15.2964 15.4583 15.6278 15.8652 16.1889 16.3912 16.5625 16.6846 17.0554 17.3341 17.5457 17.8645 18.0991 18.3731 18.4302 18.7182 18.8349 19.1206 19.4311 20.0004 20.5509 21.0171 21.2499 21.4511 21.5098 21.7406 22.0191 22.2830 22.3994 22.7005 22.8124 23.1256 23.1862 23.2890 23.6190 23.7370 24.0907 24.2357 24.3997 24.4856 24.7377 25.1433 25.2335 25.6956 26.1567 26.2203 26.5348 27.0466 27.2233 27.4282 27.5147 27.9264 28.0906 28.1515 28.4164 28.8554 29.3727 29.5656 29.8172 30.0764 30.3141 30.7079 30.8131 31.1084 31.3388 31.5211 31.8790 32.2364 32.4197 32.6482 32.9406 33.2094 33.3730 33.9634 34.1345 34.2884 34.7149 35.1026 35.7541 36.1330 36.2869 36.6175 36.9039 37.1768 37.5470 37.7178 38.2687 38.5817 39.1195 39.4987 40.0352 40.2665 40.8456 41.8722 42.1369 42.3148 42.6916 43.1868 43.4208 43.5411 44.3948 44.6364 45.0032 45.1673 45.5409 45.8466 46.0200 46.3027 46.7587 46.8659 47.0242 47.5092 47.9598 48.2114 48.4946 48.7152 49.0957 49.2782 49.7336 49.7487 50.1083 50.3075 50.5279 50.6775 50.7284 50.8198 51.0134 51.1859 51.2534 51.6515 52.0101 52.0896 52.3503 52.5389 52.6288 52.7667 53.1648 53.2023 53.4188 53.9052 54.0912 54.4176 54.4810 54.6385 54.8615 55.0405 55.2924 55.3952 55.7512 56.0138 56.3313 56.6042 56.7131 57.1460 57.4290 57.5624 57.7038 57.7817 58.0453 58.2540 58.5860 58.6665 59.2759 59.4190 59.6229 59.8404 59.9851 60.3205 60.7499 60.8965 61.2585 61.4581 61.6447 62.0288 62.2909 62.8036 62.8868 63.3330 63.4619 63.7774 64.1691 64.2858 64.5523 64.8995 64.9701 65.4425 65.7361 66.1101 66.2904 66.5565 66.7400 67.0141 67.3924 67.7124 68.1634 68.4084 68.8117 68.9914 69.7722 70.1057 70.5103 70.7136 70.9404 71.0603 71.2374 71.3555 71.7002 72.1561 72.3507 72.4025 72.6782 73.1636 73.8903 74.0137 74.3582 74.5160 74.7494 74.8953 74.9980 75.2859 75.4193 75.4911 76.1418 76.2405 76.4968 76.9227 76.9900 77.1801 77.2768 77.7576 78.2985 78.5282 78.6373 79.0981 79.2812 79.5334 79.7996 80.2104 80.3080 80.5043 80.7835 81.1571 81.6531 81.8683 82.2383 82.8304 83.6225 84.2573 84.3620 84.6713 85.1834 85.4031 85.6856 86.0908 86.2014 86.4580 87.2157 87.5128 88.4802 88.7866 89.6288 90.6649 90.7134 90.9825 91.4882 91.9536 92.0520 92.6383 92.9253 93.3803 93.8671 94.0462 95.4914 95.6918 96.8141 96.9266 96.9978 97.8019 98.1334 98.5557 98.9483 99.2514 99.8644 100.4487 100.8123 101.1833 101.4571 101.9465 102.7388 102.8865 103.5308 104.1961 104.4996 105.9114 106.3915 106.4380 108.2025 109.7675 109.9054 111.0802 111.1730 112.5377 113.0404 114.3468 114.7084 114.8946 115.2886 115.5788 115.8312 116.1797 116.3743 116.9456 117.6982 117.8789 118.1663 118.5378 118.7781 118.9073 119.3236 119.5917 119.7891 120.3558 120.7724 121.8716 122.4828 122.5994 122.8254 123.2986 123.5442 123.8852 124.3198 125.3771 125.6672 125.9837 126.0799 126.5974 127.0814 127.7769 128.4740 129.2039 129.5419 129.6057 130.6124 131.6632 132.0047 132.4809 133.0804 133.4046 133.7880 134.1115 134.3779 135.5266 136.0436 136.3081 136.7523 137.1033 137.6175 138.5769 138.8824 139.6381 140.2691 140.6017 141.4222 141.6692 141.9830 142.1338 142.8176 143.0507 143.1704 143.7078 144.0493 144.7627 145.0990 145.3841 146.0934 146.5168 146.9450 147.2701 147.4705 147.9475 148.3803 148.6544 148.6856 149.2089 149.2543 149.7231 149.9871 150.5698 150.9949 151.4262 151.6503 151.9728 152.2532 152.4568 153.3456 153.4167 153.6328 154.5043 155.4369 155.7383 155.8150 156.0279 156.5292 157.0444 157.4253 157.5015 157.6354 158.1752 158.5678 158.9873 159.0657 159.6294 159.7374 160.4532 160.5303 161.0417 161.2175 161.4171 161.9819 162.4076 162.8732 163.0140 163.1830 163.4885 163.6268 164.1175 164.1560 164.8820 165.2460 165.8521 166.2012 166.2728 166.5491 167.2461 167.8296 168.0577 168.3004 168.6506 168.9041 169.2559 169.4153 169.8545 170.1576 170.5110 170.6971 170.9664 171.3831 171.6133 171.8488 172.1309 172.2115 172.4000 172.6589 172.7595 172.8687 172.9853 173.1664 173.9578 174.7347 175.0453 175.3051 175.5059 175.7934 176.0636 176.4652 176.5363 176.6301 176.8693 177.1360 177.3441 177.3710 178.2633 179.3338 179.8043 180.0028 180.2513 180.3300 181.1435 181.8035 182.5101 183.1188 183.6684 183.8725 184.0574 184.2334 184.3960 184.6581 184.9580 185.1965 185.4943 185.6891 185.9701 186.4333 186.7858 187.1754 187.3517 187.5465 187.6237 188.1652 188.5737 188.6931 189.0564 189.3670 189.9802 190.1757 190.6338 190.7314 191.2059 191.6326 192.2453 193.0821 193.2279 194.1643 194.9694 195.2419 195.5303 195.7837 196.0678 197.0984 197.6023 198.3873 199.0606 199.3345 199.8561 200.2945 201.2712 201.8859 201.9897 202.6191 203.6349 204.4356 204.9622 205.2241 205.8422 206.3734 206.5760 207.0964 207.4138 207.8418 208.6550 208.7244 208.8756 209.2160 209.7042 209.8733 210.3703 210.7105 211.0478 211.1776 211.4627 212.0685 212.8642 214.0758 214.8177 215.2613 215.5566 215.9486 218.2076 218.3500 219.2171 219.6276 220.7294 221.6137 221.8245 222.4789 223.1171 225.0571 226.2920 226.8298 226.9108 226.9973 227.6101 228.1844 228.6670 228.9244 229.3461 230.1208 231.6429 231.9699 232.2714 232.5926 233.1769 233.3465 233.3597 233.6519 234.0303 234.8006 235.3641 235.6058 236.7148 237.5793 238.1083 238.1358 238.5262 239.1861 240.2387 240.4825 241.4610 241.8842 242.8545 243.4653 243.6393 243.8494 244.1125 244.8266 245.3429 246.1753 248.9696 249.1337 249.4778 249.7886 250.6780 253.0335 254.0431 254.7862 255.5398 261.0913 262.4354 262.5446 263.7603 263.9796 266.2126 267.5745 269.9458 270.9460 272.1091 272.4928 274.3831 274.7711 275.2459 276.2918 279.4815 281.2215 281.8841 283.3898 283.8605 286.5075 288.4276 288.5259 290.4161 295.5335 300.2058 300.9870 302.2897 305.2410 317.3649 317.6146 317.6191 317.9842 317.9922 318.0116 318.0961 318.1087 318.1179 318.4427 318.6553 319.8830 320.0353 320.1449 320.2221 320.2867 320.3948 320.4057 320.4281 320.4940 320.5771 320.6488 320.6827 320.7136 320.9477 321.0765 323.1602 323.5689 323.6843 323.7191 324.4685 324.9261 325.0313 326.3646 326.6045 328.8235 328.9164 334.2675 334.3314 336.1554 337.5848 339.5812 339.8086 343.2740 343.5032 345.7673 350.5314 350.9227 354.0196 359.0144 366.7098 375.1978 380.1758 384.2633 406.1210 406.3885 406.4523 406.6611 406.8157 408.0385 408.6025 408.9573 409.5323 409.8288 410.0218 410.3008 411.4663 411.6457 411.7426 412.4729 412.9319 413.1351 413.3482 414.3284 414.6092 416.3769 417.2546 419.0841 419.2418 419.7926 421.4465 422.0327 426.7474 430.7945 434.6170 434.8163 435.2322 435.3715 435.4156 435.6922 436.2530 441.6230 442.0202 443.0279 444.1473 444.3289 446.4571 447.1157 448.0033 448.8070 449.7238 450.9565 451.3149 452.0848 452.4353 453.2312 453.7154 454.6186 455.7304 456.9630 457.3051 462.4438 464.3948 465.3397 465.9633 468.1358 470.2455 470.7839 471.5677 706.0376 773.8719 780.9192 788.0276 792.3147 801.7513 805.7085 814.4292 850.5286 851.7694 852.0540 852.5600 853.3526 855.6790 857.4394 1496.3373 1498.7218 1505.2887 1506.0224 1519.5185 2253.3174 4037.0404 4040.7283 4050.7670 4054.7604 4063.3391 4067.3067 4076.7151 7637.2214 7810.7261 7813.7965 7822.4640 7823.3561 7840.0124 43734.9704 0.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 F Se F C F F F C C C C C C H H H H H -0.526701 0.895129 -0.533680 0.662704 -0.203665 -0.220664 -0.215715 -0.019684 -0.071608 -0.092246 -0.092091 -0.089542 -0.083393 0.139704 0.105422 0.100814 0.106258 0.138957 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 F Se F C F F F C C C C C C H H H H H -0.202177 0.857809 -0.202900 -1.407838 0.408461 0.385349 0.404774 -0.273525 0.047379 0.075620 0.084112 0.075401 0.046626 -0.067988 -0.055121 -0.053340 -0.055321 -0.067321 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 F Se F C F F F C C C C C C H H H H H 9.5267 33.1049 9.5337 5.3373 9.2037 9.2207 9.2157 6.0197 6.0716 6.0922 6.0921 6.0895 6.0834 0.8603 0.8946 0.8992 0.8937 0.8610 9.0000 34.0000 9.0000 6.0000 9.0000 9.0000 9.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.5267 0.8951 -0.5337 0.6627 -0.2037 -0.2207 -0.2157 -0.0197 -0.0716 -0.0922 -0.0921 -0.0895 -0.0834 0.1397 0.1054 0.1008 0.1063 0.1390 0.6985 3.2631 0.6889 4.1366 1.0951 1.0667 1.0779 3.7445 3.7181 3.7731 3.8536 3.7749 3.7327 1.0012 0.9838 0.9848 0.9830 0.9970 0.6985 3.2631 0.6889 4.1366 1.0951 1.0667 1.0779 3.7445 3.7181 3.7731 3.8536 3.7749 3.7327 1.0012 0.9838 0.9848 0.9830 0.9970 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 0.6476 0.6327 0.9142 1.0058 1.0735 1.0378 1.0493 1.3036 1.3087 1.3356 0.9609 1.3569 0.9798 1.3561 0.9785 1.3402 0.9791 0.9626 0 1 1 2 1 3 1 7 3 4 3 5 3 6 7 8 7 12 8 9 8 13 9 10 9 14 10 11 10 15 11 12 11 16 12 17 -3169.676815075 -0.016043844 -3169.692858919589 26.79581 -25.42449 1.37132 7.67298 -7.61783 0.05515 -2.47476 2.47389 -0.00087 1.37243 3.48844