Orca 5.0.4 RELEASE 1 2 3 4 5 15s8p3d2f1g 20s14p4d2f1g 15s8p3d2f1g 15s8p3d2f1g 7s3p2d1f 7s4p3d2f1g 9s6p4d2f1g 7s4p3d2f1g 7s4p3d2f1g 4s3p2d1f 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 N Si N C C C C C C O H H H H H H H H 1 2 1 3 3 3 3 3 3 4 5 5 5 5 5 5 5 5 144.1625 AuxInfo=1/0/N:7,6,8,5,9,4,1,3,10,2/E:(2,3)(4,5)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,9.1,10.3/rA:18nNSi3NC3C3C3C3C3C3O1HHHHHHHH/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s2;s1;s1;s3;s5;s6;s7;s8;s9;/rC:1.9692,1.464,-.0265;2.1342,-.2105,-.0637;.5965,-.9458,.0139;-.6894,-.39,.0305;-1.6616,-.9029,.8888;-2.939,-.3692,.9063;-3.2691,.6977,.0831;-2.3083,1.208,-.7758;-1.0341,.6627,-.8163;3.428,-1.0008,-.1499;2.7744,2.0646,-.0643;1.1094,1.9501,.1628;.6211,-1.9393,.1929;-1.4108,-1.7203,1.5541;-3.6784,-.7854,1.578;-4.2646,1.1194,.1045;-2.5554,2.0255,-1.4405;-.3133,1.0374,-1.5321; 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 580 RIJ-COSX (HFX calculated with COS-X)) on IntName C6H8N2OSi_sp_orca HFTyp RHF Charge 0 Mult 1 NEL 80 Dim 823 ENuc 568.7546337965 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 5.883e-06 Time for diagonalization 0.207 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.158 sec Total time needed 0.367 sec 7 14 7 6 6 6 6 6 6 8 1 1 1 1 1 1 1 1 144.1625 AuxInfo=1/0/N:7,6,8,5,9,4,1,3,10,2/E:(2,3)(4,5)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,9.1,10.3/rA:18nNSi3NC3C3C3C3C3C3O1HHHHHHHH/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s2;s1;s1;s3;s5;s6;s7;s8;s9;/rC:1.9693,1.464,-.0265;2.1342,-.2105,-.0637;.5965,-.9458,.0139;-.6894,-.39,.0305;-1.6616,-.9029,.8888;-2.939,-.3692,.9063;-3.2691,.6977,.0831;-2.3083,1.208,-.7758;-1.0341,.6627,-.8163;3.428,-1.0008,-.1499;2.7744,2.0646,-.0643;1.1094,1.9501,.1628;.6211,-1.9393,.1929;-1.4108,-1.7203,1.5541;-3.6784,-.7854,1.578;-4.2646,1.1194,.1045;-2.5554,2.0255,-1.4405;-.3133,1.0374,-1.5321; 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 8 144.1625 AuxInfo=1/0/N:7,6,8,5,9,4,1,3,10,2/E:(2,3)(4,5)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,9.1,10.3/rA:18nNSi3NC3C3C3C3C3C3O1HHHHHHHH/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s2;s1;s1;s3;s5;s6;s7;s8;s9;/rC:1.9692,1.464,-.0265;2.1342,-.2105,-.0637;.5965,-.9458,.0139;-.6894,-.39,.0305;-1.6616,-.9029,.8888;-2.939,-.3692,.9063;-3.2691,.6977,.0831;-2.3083,1.208,-.7758;-1.0341,.6627,-.8163;3.428,-1.0008,-.1499;2.7744,2.0646,-.0643;1.1094,1.9501,.1628;.6211,-1.9393,.1929;-1.4108,-1.7203,1.5541;-3.6784,-.7854,1.578;-4.2646,1.1194,.1045;-2.5554,2.0255,-1.4405;-.3133,1.0374,-1.5321; -706.40666126 568.75463380 -1275.16129506 -2097.20918888 822.04789382 -1411.37111380 704.96445254 2.00204579 40.000050894601 40.000050894601 80.000101789202 -23.601697539047 -1.526086947681 -25.127784486728 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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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 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 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 0.0000 -1844.4929 -542.4611 -411.1174 -410.8411 -296.4059 -295.1536 -295.1398 -295.0218 -295.0161 -294.9121 -158.4587 -109.7554 -109.5896 -109.4932 -30.7870 -29.8716 -28.8121 -28.2732 -25.3997 -24.7709 -20.9459 -20.5660 -18.1239 -18.0128 -17.2518 -16.7095 -16.0273 -15.2188 -14.9714 -14.7659 -13.3096 -12.9171 -12.4508 -12.0576 -11.9855 -10.8409 -10.2376 -10.0754 -8.9355 -8.1122 1.0863 1.2835 1.3891 1.9367 1.9538 2.5020 2.6015 2.7663 2.9857 3.1341 3.6106 3.6961 4.1887 4.4407 4.7839 4.9019 4.9490 5.5494 5.6965 5.7395 5.8896 6.2465 6.2747 6.5397 6.8318 7.1779 7.2435 7.5652 7.8709 8.1235 8.4050 8.6495 8.8052 8.9536 9.1279 9.2143 9.3478 9.5273 9.6856 9.8969 10.1004 10.1309 10.6347 10.6733 10.9657 11.2085 11.4403 11.5068 11.6705 11.9593 12.1898 12.5066 12.8099 13.0207 13.2162 13.2991 13.5449 13.8042 13.9893 14.1448 14.3846 14.9119 15.0092 15.1805 15.3097 15.6805 16.0723 16.1987 16.7223 16.9905 17.3830 17.4834 17.5988 18.0950 18.1873 18.3185 18.7805 19.1573 19.4004 19.5112 19.6509 20.0399 20.1709 20.6869 20.8670 21.3780 21.5358 21.7118 21.9821 22.1964 22.2732 22.3603 22.5439 22.5882 22.9541 23.3801 23.5270 23.6651 23.7068 24.0735 24.2580 24.4458 24.6172 24.8669 25.0999 25.2365 25.7826 25.9301 26.1943 26.4333 26.6865 27.0697 27.2481 27.3591 27.4726 27.7589 27.8926 28.1438 28.2731 28.5637 28.8043 29.2151 29.4770 29.5635 29.7509 29.7745 30.0902 30.1472 30.5227 30.6193 31.1071 31.3362 31.5750 31.7961 32.2262 32.7179 33.0949 33.1094 33.2965 33.6780 33.7444 34.0992 34.3313 34.6899 34.8389 35.4935 35.7917 36.0455 36.0707 36.3616 36.6106 36.9847 37.2792 37.4993 37.9068 37.9970 38.3369 38.8859 39.1743 40.1893 40.4362 41.1979 41.7278 41.7882 42.3368 42.5306 42.9321 43.3594 43.6777 44.0715 44.3150 44.8916 45.1383 45.5327 45.8644 46.1965 46.3450 46.4365 47.1936 47.5664 47.8703 48.7527 48.9613 49.5209 49.8154 49.8707 50.8405 50.9629 51.0219 51.3020 51.4266 51.6736 51.8020 52.3699 52.6465 52.8398 53.1442 53.1933 53.4240 54.0448 54.2913 54.3256 54.5726 54.8910 55.0794 55.7608 56.0874 56.3369 56.7563 56.9142 57.2409 57.3749 57.7335 57.8874 58.1073 58.3809 58.7512 58.8839 59.0532 59.3946 59.7461 59.8471 60.1289 60.8047 60.9135 61.0732 61.5161 61.7236 61.9198 62.2089 62.4588 62.8438 62.8721 63.1851 63.5032 63.7149 63.9074 64.3134 64.4238 64.7946 64.9055 65.0565 65.3985 65.5291 65.7920 66.0096 66.2465 66.4777 66.7433 67.1364 67.5290 67.7972 68.0192 68.1748 68.4232 68.6588 69.0654 69.3113 69.6784 69.9988 70.4210 70.5240 70.9634 71.1465 71.2093 71.3873 71.7758 71.8746 72.2889 72.5411 72.7475 72.9761 73.3301 73.6152 73.8394 74.0611 74.3966 74.6555 74.8691 75.0128 75.2561 75.5061 75.5333 75.6298 75.9375 76.4840 76.8929 77.1698 77.3719 77.5119 77.8026 77.8510 78.0144 78.4354 78.7522 79.0000 79.0704 79.2662 79.5730 79.8269 80.0314 80.2117 80.6103 80.9804 81.3392 81.6394 82.0855 82.4368 82.7251 83.0515 83.1980 83.4984 84.0330 84.3956 85.1098 85.6229 86.2195 86.5647 86.8622 87.2220 87.4760 87.9795 88.4011 89.0323 89.3036 89.6956 90.5891 90.7909 91.3807 91.6015 91.8589 92.1803 92.3684 93.3283 93.7250 94.4929 94.6977 95.0883 96.0675 96.6031 96.8903 97.1808 97.3553 97.6253 98.0773 98.7522 98.9276 99.3133 99.5605 99.8497 100.0377 100.5318 100.8357 101.0518 101.7895 102.2376 102.4637 102.8604 103.3986 103.7133 104.2920 104.9600 105.1050 105.5650 106.0872 106.7759 107.2778 107.7077 108.2975 109.1519 109.7062 110.1322 110.3388 110.4284 111.1311 111.8254 112.7188 113.2132 113.8140 115.4353 115.9324 116.0583 116.3859 116.7543 117.3918 117.5130 118.1545 118.5200 119.1246 119.6318 120.0858 120.5096 121.1217 121.9633 122.2791 123.2820 124.1702 124.7632 126.1309 126.5170 128.1583 128.4304 128.8769 129.9532 130.2166 131.3525 131.6449 132.3569 133.3571 134.1534 134.4658 134.9291 136.0036 137.1688 137.7014 138.5974 139.5416 139.7852 140.1063 140.3406 140.6746 141.8443 142.9229 143.2583 143.5919 144.0886 144.3938 145.2186 145.4338 146.4458 147.1380 148.1311 148.4996 148.6978 148.9436 149.7023 150.2639 150.4466 151.1347 151.4781 151.9320 152.2792 152.5000 152.7233 153.2379 153.7822 154.6101 155.1326 155.4918 156.0835 156.4277 156.5491 156.8916 158.2863 159.4778 159.8139 159.9046 160.5067 161.3586 161.8685 162.4167 162.5332 163.0171 163.4624 163.6995 163.9481 164.3435 164.5685 165.4134 165.8330 166.0815 166.2750 166.4855 167.1590 167.5131 167.9893 168.3966 168.4809 168.5901 168.8112 168.9752 169.4396 169.7406 170.3171 170.4392 171.0802 171.6503 172.0663 172.3244 172.4089 172.7226 172.8455 173.2076 173.3554 173.8943 174.9423 175.1771 175.6948 176.2371 176.5069 176.6960 177.1168 177.2434 177.3459 177.4497 178.1234 178.5327 178.6215 179.1904 179.6581 179.7935 180.5705 181.4636 181.9250 182.0709 182.3937 182.6452 182.9737 184.1471 184.4717 184.7062 185.2828 185.8585 185.8899 186.2896 187.0009 187.4842 187.6336 187.8520 188.2818 188.4321 189.0894 189.2058 189.4300 190.0668 190.6440 190.8634 191.0539 192.0944 192.2735 193.0581 193.3781 194.8367 195.3279 195.4280 195.8486 195.9483 196.2240 196.4782 196.8457 197.9853 198.2490 198.4371 198.8600 199.5032 200.0875 200.5370 201.2085 201.5758 202.1947 202.8547 203.2371 204.1334 204.7479 205.3215 205.9633 206.1904 206.2781 206.4709 207.3966 207.5077 207.8358 207.9514 208.7600 209.1383 209.1970 209.4672 209.9000 210.3914 210.6254 210.9400 211.2021 211.4202 212.1364 212.5017 213.4998 213.6707 214.2972 215.0439 216.2217 216.6701 216.8691 217.5214 217.7867 218.4982 219.1260 219.7226 219.9239 220.0977 220.3344 220.6666 221.1511 221.6253 221.8470 222.4506 223.0861 223.4892 223.8295 224.2859 224.6446 224.7734 225.5032 226.6091 227.0457 227.1787 227.3136 227.8034 228.3637 228.5782 229.1483 229.4262 230.0273 230.2596 230.9140 231.0341 231.6554 232.1492 232.4053 232.8676 233.1081 233.5354 233.6506 233.8530 233.9702 234.1618 234.6113 234.9834 235.4393 235.6778 235.8624 236.4471 236.6395 237.2267 237.4546 237.9659 238.5221 239.5299 240.2594 241.2618 241.8281 242.0859 242.8019 243.1295 243.4967 243.8905 244.1366 245.2435 245.5584 245.8134 247.3387 247.9452 248.6259 248.6591 248.9606 250.3369 251.0706 251.4519 251.5105 252.0462 252.1064 252.5291 252.6904 253.9582 254.4304 254.7485 255.0755 256.4022 256.4587 257.3872 257.8792 258.5954 259.3267 259.6226 260.1131 261.4501 262.0041 262.4767 263.3995 265.2113 266.2817 266.8459 266.9521 268.8522 269.6873 270.1922 270.3585 271.1021 271.1580 271.9341 272.2466 272.2898 274.2184 274.5483 275.4789 275.6344 276.2627 279.2913 279.9330 281.3560 282.2784 282.7270 283.1347 283.7985 284.4581 285.5603 288.6104 288.7606 290.2391 290.8938 293.1247 294.4102 295.9210 300.3298 301.6513 302.8884 305.3095 307.3041 310.5362 311.0376 315.1194 318.4143 319.5271 320.1068 320.7788 321.3789 323.4433 324.3778 326.4143 327.7300 328.7741 330.6273 331.1056 332.3266 332.5636 332.9429 337.2276 338.8000 340.8181 342.9081 347.8593 351.1386 351.3112 354.6945 358.1259 359.6963 367.4541 369.3687 377.7455 392.9049 404.8193 414.5686 418.1148 473.0662 774.1285 789.4853 792.7657 802.3105 806.1212 814.7821 1053.3940 1057.1081 1331.6109 1608.7844 4037.2435 4052.0340 4055.2828 4063.8296 4067.7405 4077.0625 5415.0591 5418.2786 6940.7148 8675.9216 0.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 N Si N C C C C C C O H H H H H H H H -0.563110 0.906934 -0.499644 0.258146 -0.109407 -0.099521 -0.113857 -0.106276 -0.101854 -0.662116 0.207196 0.210015 0.203405 0.086616 0.095324 0.093600 0.100003 0.094546 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 N Si N C C C C C C O H H H H H H H H 0.602095 -0.385325 0.508095 -0.237612 0.073543 0.067850 0.057957 0.063846 0.063785 0.010343 -0.183472 -0.188221 -0.163491 -0.057617 -0.056123 -0.061887 -0.056763 -0.057004 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 N Si N C C C C C C O H H H H H H H H 7.5631 13.0931 7.4996 5.7419 6.1094 6.0995 6.1139 6.1063 6.1019 8.6621 0.7928 0.7900 0.7966 0.9134 0.9047 0.9064 0.9000 0.9055 7.0000 14.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 8.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.5631 0.9069 -0.4996 0.2581 -0.1094 -0.0995 -0.1139 -0.1063 -0.1019 -0.6621 0.2072 0.2100 0.2034 0.0866 0.0953 0.0936 0.1000 0.0945 3.0738 4.5126 2.9382 3.5424 3.7616 3.8426 3.8259 3.8292 3.7315 2.0575 1.0114 1.0091 1.0127 0.9911 0.9857 0.9897 0.9847 0.9935 3.0738 4.5126 2.9382 3.5424 3.7616 3.8426 3.8259 3.8292 3.7315 2.0575 1.0114 1.0091 1.0127 0.9911 0.9857 0.9897 0.9847 0.9935 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 1.1767 0.9698 0.9597 1.1449 2.1098 0.8859 0.9623 1.2947 1.3020 1.3789 0.9807 1.3574 0.9777 1.3698 0.9820 1.3614 0.9794 0.9749 0 1 0 10 0 11 1 2 1 9 2 3 2 12 3 4 3 8 4 5 4 13 5 6 5 14 6 7 6 15 7 8 7 16 8 17 -707.305960516 -0.014859799 -707.320820315396 -7.29697 5.49734 -1.79963 3.51982 -2.40715 1.11267 0.52247 -0.26225 0.26022 2.13176 5.41851