Orca 5.0.2 RELEASE 1 2 3 4 5 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 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 S O N 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 1 2 3 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 5 230.22089999999992 AuxInfo=1/0/N:9,10,6,7,17,15,16,13,14,4,5,11,12,8,3,2,1/E:(1,2)(3,4)(6,7)(8,9)(10,11)/CRV:5.3,6.3,7.3,8.3,9.3,13.3,14.3,16.1/rA:38nSO1NCCCCC3CCCC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s4;s5;s1s2s3;s6;s7;s1;s11;s12;s12;s13;s14;s15s16;s4;s4;s5;s5;s6;s6;s7;s7;s9;s9;s9;s10;s10;s10;s11;s11;s13;s14;s15;s16;s17;/rC:-.2033,-1.6311,.8774;-.2418,-.7345,-1.5949;-1.8547,.1327,-.2539;-2.3114,1.0518,-1.288;-2.494,.206,1.0483;-1.7756,2.47,-1.1059;-3.4782,-.9271,1.3272;-.7914,-.6587,-.5217;-.2567,2.5708,-1.1145;-4.6016,-1.0261,.3074;1.4671,-1.9874,.2562;2.3306,-.762,.2049;2.7786,-.2599,-1.0104;2.6797,-.0963,1.3774;3.5635,.8839,-1.0547;3.4612,1.0458,1.3356;3.9049,1.5412,.1163;-3.4035,1.0639,-1.2775;-2.008,.6585,-2.2564;-3.0224,1.1605,1.092;-1.7366,.2479,1.8345;-2.1943,3.0812,-1.9104;-2.1667,2.8969,-.1769;-2.9427,-1.8782,1.377;-3.8944,-.7646,2.325;.0593,3.6117,-1.0439;.1933,2.0403,-.2747;.1692,2.1514,-2.0254;-4.2176,-1.2458,-.6892;-5.2961,-1.8241,.5693;-5.1761,-.0993,.2492;1.8611,-2.7209,.9623;1.3902,-2.4721,-.7153;2.4978,-.7573,-1.929;2.3236,-.47,2.3304;3.9005,1.2655,-2.0098;3.724,1.5521,2.2553;4.513,2.4356,.0818; 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 1066 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 136 Dim 832 ENuc 1391.8637009156 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 7.781e-06 Time for diagonalization 0.270 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.144 sec Total time needed 0.417 sec 16 8 7 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 1 230.22089999999992 AuxInfo=1/0/N:9,10,6,7,17,15,16,13,14,4,5,11,12,8,3,2,1/E:(1,2)(3,4)(6,7)(8,9)(10,11)/CRV:5.3,6.3,7.3,8.3,9.3,13.3,14.3,16.1/rA:38nSO1NCCCCC3CCCC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s4;s5;s1s2s3;s6;s7;s1;s11;s12;s12;s13;s14;s15s16;s4;s4;s5;s5;s6;s6;s7;s7;s9;s9;s9;s10;s10;s10;s11;s11;s13;s14;s15;s16;s17;/rC:-.2033,-1.6311,.8774;-.2418,-.7345,-1.5949;-1.8547,.1327,-.2539;-2.3114,1.0518,-1.288;-2.494,.206,1.0483;-1.7756,2.47,-1.1059;-3.4782,-.9271,1.3272;-.7914,-.6587,-.5217;-.2567,2.5708,-1.1145;-4.6016,-1.0261,.3074;1.4671,-1.9874,.2562;2.3306,-.762,.2049;2.7786,-.2599,-1.0104;2.6797,-.0963,1.3774;3.5635,.8839,-1.0547;3.4612,1.0458,1.3356;3.9049,1.5412,.1163;-3.4035,1.0639,-1.2775;-2.008,.6585,-2.2564;-3.0224,1.1605,1.092;-1.7366,.2479,1.8345;-2.1943,3.0812,-1.9104;-2.1667,2.8969,-.1769;-2.9427,-1.8782,1.377;-3.8944,-.7646,2.325;.0593,3.6117,-1.0439;.1933,2.0403,-.2747;.1692,2.1514,-2.0254;-4.2176,-1.2458,-.6892;-5.2961,-1.8241,.5693;-5.1761,-.0993,.2492;1.8611,-2.7209,.9623;1.3902,-2.4721,-.7153;2.4978,-.7573,-1.929;2.3236,-.47,2.3304;3.9005,1.2655,-2.0098;3.724,1.5521,2.2553;4.513,2.4356,.0818; 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 4 230.22089999999992 AuxInfo=1/0/N:9,10,6,7,17,15,16,13,14,4,5,11,12,8,3,2,1/E:(1,2)(3,4)(6,7)(8,9)(10,11)/CRV:5.3,6.3,7.3,8.3,9.3,13.3,14.3,16.1/rA:38nSO1NCCCCC3CCCC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s4;s5;s1s2s3;s6;s7;s1;s11;s12;s12;s13;s14;s15s16;s4;s4;s5;s5;s6;s6;s7;s7;s9;s9;s9;s10;s10;s10;s11;s11;s13;s14;s15;s16;s17;/rC:-.2033,-1.6311,.8774;-.2418,-.7345,-1.5949;-1.8547,.1327,-.2539;-2.3114,1.0518,-1.288;-2.494,.206,1.0483;-1.7756,2.47,-1.1059;-3.4782,-.9271,1.3272;-.7914,-.6587,-.5217;-.2567,2.5708,-1.1145;-4.6016,-1.0261,.3074;1.4671,-1.9874,.2562;2.3306,-.762,.2049;2.7786,-.2599,-1.0104;2.6797,-.0963,1.3774;3.5635,.8839,-1.0547;3.4612,1.0458,1.3356;3.9049,1.5412,.1163;-3.4035,1.0639,-1.2775;-2.008,.6585,-2.2564;-3.0224,1.1605,1.092;-1.7366,.2479,1.8345;-2.1943,3.0812,-1.9104;-2.1667,2.8969,-.1769;-2.9427,-1.8782,1.377;-3.8944,-.7646,2.325;.0593,3.6117,-1.0439;.1933,2.0403,-.2747;.1692,2.1514,-2.0254;-4.2176,-1.2458,-.6892;-5.2961,-1.8241,.5693;-5.1761,-.0993,.2492;1.8611,-2.7209,.9623;1.3902,-2.4721,-.7153;2.4978,-.7573,-1.929;2.3236,-.47,2.3304;3.9005,1.2655,-2.0098;3.724,1.5521,2.2553;4.513,2.4356,.0818; -1074.40120913 1391.86370092 -2466.26491005 -4231.99542759 1765.73051754 -2144.99407026 1070.59286113 2.00355723 68.000248361167 68.000248361167 136.000496722333 -87.043503018403 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 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 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 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 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 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 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 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 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 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 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 -2420.4531 -522.4014 -393.3018 -282.8754 -280.6957 -280.5312 -280.4736 -279.9045 -279.6890 -279.6187 -279.5936 -279.5876 -279.5838 -279.5643 -279.5123 -279.4124 -279.0501 -218.9939 -163.3138 -163.2058 -163.0808 -31.7565 -28.9743 -26.6823 -25.1426 -24.8405 -24.3147 -23.3952 -23.2883 -22.2708 -21.9969 -20.8440 -19.7030 -19.4301 -19.2618 -18.7026 -17.2632 -16.8461 -16.5647 -16.1002 -15.8248 -15.3041 -15.0344 -14.8721 -14.7842 -14.5203 -14.2412 -14.1576 -13.9491 -13.6862 -13.6456 -13.3805 -13.2407 -12.6746 -12.4218 -12.2650 -12.1519 -12.0269 -11.9354 -11.8963 -11.7694 -11.5767 -11.4541 -9.6033 -9.3584 -9.1790 -9.0394 -8.6582 1.5950 1.9280 2.5635 2.9250 3.0096 3.6266 3.6683 3.8780 3.9578 4.1991 4.3563 4.4423 4.6753 4.7329 4.8556 4.9755 5.0847 5.2253 5.3463 5.3766 5.6414 5.7036 5.8739 5.9999 6.1620 6.2293 6.4948 6.6597 6.9383 6.9703 7.0166 7.3091 7.4252 7.4998 7.7402 7.7716 8.0311 8.1929 8.3145 8.4741 8.6101 8.7792 8.9060 8.9637 9.0076 9.2097 9.5042 9.5261 9.6874 9.8975 10.0999 10.3700 10.4580 10.6302 10.7195 10.9240 11.1061 11.2680 11.4965 11.6919 11.8467 11.9441 12.0555 12.1331 12.3226 12.3744 12.5660 12.7925 12.9430 13.0051 13.0902 13.2226 13.4019 13.5108 13.5673 13.7470 13.7931 13.8896 13.9361 13.9734 14.1543 14.1758 14.2872 14.4328 14.5066 14.6350 14.7436 14.9026 14.9986 15.1082 15.1246 15.2570 15.3911 15.4654 15.7189 15.8892 16.0605 16.1337 16.2608 16.3181 16.4688 16.5361 16.6310 16.7499 16.7747 17.2175 17.4931 17.6245 17.8173 17.9990 18.1931 18.3674 18.6666 18.9192 18.9783 19.3586 19.6272 19.8172 20.0132 20.2814 20.5198 20.6584 20.8210 20.8700 21.0939 21.5259 21.7324 21.7710 21.9621 22.1910 22.3530 22.5094 22.5827 22.9689 23.1968 23.3306 23.5535 23.5976 23.8816 24.1684 24.4551 24.6079 24.8182 25.0946 25.1390 25.2667 25.5217 25.6371 25.9001 26.1450 26.2452 26.4511 26.8953 27.1154 27.3483 27.5470 27.6263 27.7387 27.9444 28.0764 28.3772 28.6557 28.6854 29.0360 29.0649 29.2660 29.3711 29.6073 29.7771 29.9593 30.0361 30.1171 30.3953 30.5781 30.7875 31.0395 31.3013 31.5165 31.5760 31.8703 31.9324 32.0782 32.2463 32.3712 32.5858 32.7856 32.9974 33.0965 33.2704 33.3403 33.5574 33.6172 33.9100 34.0058 34.1212 34.1475 34.5209 34.6851 34.8434 35.0621 35.2606 35.4514 35.5994 35.6874 35.8301 36.0177 36.0965 36.4279 36.6925 36.7802 36.9800 37.1314 37.1927 37.6282 37.6835 37.9805 38.4176 38.6714 38.6981 38.8917 39.0434 39.2431 39.4591 39.5984 39.8464 39.9819 40.2786 40.4294 40.6607 40.7634 40.9898 41.0767 41.1772 41.4379 41.6952 41.9577 41.9772 42.3357 42.3713 42.5345 42.5829 42.8363 43.0364 43.1169 43.3036 43.4178 43.5639 43.6232 43.7531 43.9933 44.1656 44.3974 44.5094 44.8927 44.9036 45.1170 45.3960 45.5456 45.6056 45.8715 45.8960 46.0624 46.3919 46.7109 46.8690 46.9393 47.2379 47.5027 47.6057 47.6941 47.8762 48.1105 48.3960 48.4581 48.6306 48.8799 49.3605 49.5736 49.9005 49.9843 50.2246 50.4248 50.7577 50.9129 51.2001 51.3955 51.5063 52.0492 52.0897 52.6330 52.8208 53.1292 53.2411 53.2913 53.7772 54.2322 54.5141 55.1710 55.3539 55.3888 55.8315 56.2684 56.4512 56.7463 57.2138 57.6257 57.9464 58.2410 58.7493 58.8769 59.0092 59.2660 59.3512 60.0946 60.4831 60.7345 60.8091 61.1172 61.4670 61.6583 61.9653 62.1812 62.8740 63.0767 63.7319 63.9931 64.5825 65.1018 65.1236 65.4287 65.5326 66.4464 66.5608 66.8885 67.2971 67.7010 67.9894 68.4121 68.7518 68.9751 69.2583 69.7963 70.0877 70.4453 70.5944 71.0754 71.3659 71.4751 72.0771 72.1781 72.5052 72.7131 73.3228 73.4104 73.8208 73.9886 74.1361 74.3916 74.5997 74.8212 75.0820 75.3219 75.5062 75.6032 76.0849 76.2725 76.4964 76.8623 77.3616 77.5098 77.7907 77.9379 78.0701 78.6646 78.8395 79.0873 79.2207 79.3421 79.4773 79.7195 79.8372 80.0215 80.1930 80.3056 80.7495 80.9466 81.0575 81.2092 81.4966 81.7067 81.8685 81.9053 82.1632 82.5031 82.7521 83.0002 83.2387 83.2931 83.3885 84.0528 84.2351 84.4722 84.6603 84.8608 84.9089 85.1570 85.4861 85.7029 85.7740 85.9078 86.0341 86.0731 86.2023 86.3476 86.4526 86.6341 86.7814 86.9708 87.0149 87.2768 87.5667 87.6704 87.7297 87.8070 88.0660 88.1704 88.2865 88.5921 88.6033 88.8692 88.9454 89.0782 89.2800 89.3004 89.4791 89.6059 89.9043 89.9831 90.1146 90.2290 90.3962 90.7294 90.9119 91.2585 91.3488 91.5587 91.7775 91.9932 92.1057 92.4410 92.7437 92.9202 93.1463 93.1932 93.5608 93.6500 93.8722 93.9719 94.0405 94.4524 94.6714 94.8520 95.0093 95.2237 95.2963 95.3952 95.7086 96.0382 96.2541 96.3332 96.6124 96.7183 96.7675 97.1062 97.1933 97.5863 97.7197 98.0255 98.3231 98.7021 98.7770 99.0107 99.3033 99.3341 99.5374 99.6064 99.6934 99.8011 100.3364 100.5485 100.7140 101.2424 101.3601 101.6851 101.8158 101.9671 102.0515 102.2747 102.5001 102.7418 102.9535 102.9978 103.1648 103.2746 103.5518 103.6348 103.9116 104.0519 104.4400 104.5328 104.6946 105.0885 105.2843 105.6601 105.7803 105.8038 106.1421 106.1838 106.2607 106.5745 106.8163 106.9542 107.0110 107.2153 107.3584 107.6161 107.8102 107.9389 108.1492 108.2314 108.4805 108.7300 108.9552 109.0342 109.1993 109.7988 109.9209 110.1342 110.4005 110.6322 110.7284 110.9389 111.3605 111.4348 111.5380 111.7609 111.8676 112.2931 112.6366 112.7299 112.9826 113.0755 113.2639 113.3423 113.7077 113.7348 114.0465 114.4925 114.5825 114.7465 114.9615 115.0809 115.4007 115.4542 115.6131 115.9060 115.9493 116.1509 116.4109 116.5808 116.7826 117.0568 117.2567 117.3884 117.7528 117.9429 118.0908 118.1739 118.2924 118.5847 118.6990 118.9400 119.0964 119.2616 119.3201 119.4083 119.5621 119.7938 119.8789 120.3890 120.6140 120.8015 120.8773 121.0732 121.2301 121.3572 121.9850 122.0862 122.2412 122.4746 122.7158 123.1298 123.2744 123.8304 124.0188 124.3301 125.3134 125.4278 125.7651 126.4665 126.5597 126.9968 127.3001 127.3261 127.6317 128.4834 128.5932 128.8827 129.1224 129.1592 129.2822 129.4528 129.9102 130.1616 130.3939 131.1006 131.2207 131.4068 131.5698 132.0419 132.2824 132.4788 132.8929 133.0807 133.2218 133.4872 133.7458 133.8967 134.3184 134.6859 135.0041 135.1966 135.5179 136.0884 136.4887 136.5901 136.8037 137.0367 137.1393 137.7441 137.8475 138.1457 138.2347 138.7933 139.2171 139.4588 140.0531 140.6678 141.0720 141.2240 141.7309 142.9237 143.2843 143.6350 143.6890 144.0296 144.5260 144.5792 144.8266 145.2254 145.4953 145.8747 146.5899 146.8037 147.1428 147.3940 147.7070 147.8134 148.5447 148.5581 148.7530 149.0471 149.0994 149.1599 149.5285 149.8727 150.3741 150.4871 150.7490 151.0467 151.1648 151.3376 151.7012 151.9600 152.2426 152.4033 152.6613 152.7559 153.2721 153.4666 153.7315 153.9271 154.1508 154.7701 155.1658 155.2827 155.6575 156.3514 157.0128 157.2631 157.5333 157.7339 157.8422 158.4389 158.7080 158.9041 159.0966 159.2599 159.4927 159.8133 160.3093 160.5476 161.8356 162.4755 165.1040 165.8064 168.1203 168.5869 169.9321 170.6983 172.0741 178.2160 179.1655 181.5854 183.9044 185.1267 188.5362 189.5918 190.2451 190.8749 193.1981 195.9598 198.2256 200.9060 248.5001 259.0874 262.8815 542.7503 619.7974 632.3079 634.5828 635.3623 636.8208 637.4041 638.7127 640.1732 640.8348 642.2532 642.4778 647.1516 647.9364 659.3812 903.6007 1200.6468 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 S O N 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 -0.118622 -0.412618 -0.131511 -0.080638 -0.120187 -0.101121 -0.088553 0.286916 -0.226605 -0.262119 -0.086671 0.035738 -0.127569 -0.179590 -0.122414 -0.117760 -0.132214 0.098235 0.108549 0.094584 0.112757 0.065889 0.049448 0.069928 0.064826 0.086800 0.064607 0.087018 0.083333 0.093753 0.075192 0.130010 0.117959 0.112374 0.103860 0.121721 0.122148 0.122545 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 S O N 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 16.1186 8.4126 7.1315 6.0806 6.1202 6.1011 6.0886 5.7131 6.2266 6.2621 6.0867 5.9643 6.1276 6.1796 6.1224 6.1178 6.1322 0.9018 0.8915 0.9054 0.8872 0.9341 0.9506 0.9301 0.9352 0.9132 0.9354 0.9130 0.9167 0.9062 0.9248 0.8700 0.8820 0.8876 0.8961 0.8783 0.8779 0.8775 16.0000 8.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.1186 -0.4126 -0.1315 -0.0806 -0.1202 -0.1011 -0.0886 0.2869 -0.2266 -0.2621 -0.0867 0.0357 -0.1276 -0.1796 -0.1224 -0.1178 -0.1322 0.0982 0.1085 0.0946 0.1128 0.0659 0.0494 0.0699 0.0648 0.0868 0.0646 0.0870 0.0833 0.0938 0.0752 0.1300 0.1180 0.1124 0.1039 0.1217 0.1221 0.1225 2.3065 2.0956 3.0657 3.8549 3.8854 3.9056 3.8533 4.2927 3.9276 3.9209 3.8560 3.5969 3.9542 4.0111 3.9436 3.9552 3.9583 0.9979 1.0245 0.9986 1.0220 1.0145 1.0109 1.0239 1.0173 1.0069 1.0072 1.0094 1.0044 1.0099 1.0000 1.0019 1.0329 1.0247 1.0214 1.0012 1.0006 1.0000 2.3065 2.0956 3.0657 3.8549 3.8854 3.9056 3.8533 4.2927 3.9276 3.9209 3.8560 3.5969 3.9542 4.0111 3.9436 3.9552 3.9583 0.9979 1.0245 0.9986 1.0220 1.0145 1.0109 1.0239 1.0173 1.0069 1.0072 1.0094 1.0044 1.0099 1.0000 1.0019 1.0329 1.0247 1.0214 1.0012 1.0006 1.0000 -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 1.1254 0.9588 1.8672 0.8500 0.8740 1.2655 0.9485 1.0016 0.9897 0.9406 0.9993 0.9856 0.9513 1.0046 1.0037 0.9254 1.0019 1.0058 0.9961 0.9825 0.9901 0.9891 0.9953 0.9961 0.8838 0.9894 1.0155 1.3666 1.3681 1.4435 0.9775 1.4749 0.9771 1.4340 0.9818 1.4164 0.9780 0.9765 0 7 0 10 1 7 2 3 2 4 2 7 3 5 3 17 3 18 4 6 4 19 4 20 5 8 5 21 5 22 6 9 6 23 6 24 8 25 8 26 8 27 9 28 9 29 9 30 10 11 10 31 10 32 11 12 11 13 12 14 12 33 13 15 13 34 14 16 14 35 15 16 15 36 16 37 -0.019089385 -1074.420298518106 -14.62596 13.99854 -0.62742 9.63085 -9.13567 0.49517 -0.91988 1.45533 0.53545 0.96206 2.44536