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 S S S P O O 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 1 1 2 3 3 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 5 267.2638609999999 AuxInfo=1/0/N:14,15,8,9,10,12,13,11,7,5,6,4,3,1,2/E:(1,2)(3,4,5)(6,7)(10,11)/CRV:12.4,13.1/rA:36nSSS1P4OOCCCCCCCCCHHHHHHHHHHHHHHHHHHHHH/rB:;;s2s3;s4;s4;s1;s7;s7;s7;s1s2;s5;s6;s12;s13;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s15;s15;s15;/rC:2.1095,.1455,-1.0428;.1035,-1.657,.5073;-1.6792,.0867,-1.7968;-1.339,-.2127,.0729;-2.5602,-.7651,.9532;-.8862,1.039,.9478;3.3963,.1065,.2767;2.8009,.4757,1.6309;4.0917,-1.2461,.3403;4.3896,1.1806,-.1642;1.2306,-1.4124,-.9103;-3.4002,-1.8152,.4564;-1.2228,2.394,.6237;-4.7149,-1.2564,-.0347;.0264,3.2392,.6789;2.321,1.453,1.5958;2.0541,-.2454,1.9576;3.5907,.5116,2.3862;4.9455,-1.1875,1.0189;4.4626,-1.5559,-.6375;3.4361,-2.0271,.7276;4.8518,.9338,-1.1202;3.9094,2.1559,-.2622;5.1816,1.279,.5811;.6415,-1.4899,-1.8243;1.9135,-2.2606,-.8815;-2.8967,-2.3696,-.3406;-3.5491,-2.5022,1.2901;-1.6745,2.4444,-.3693;-1.9641,2.7303,1.3512;-5.2282,-.7053,.753;-4.5621,-.5924,-.8844;-5.3656,-2.0712,-.3538;.7503,2.9033,-.0628;-.2251,4.2793,.4693;.4919,3.1988,1.6636; 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 974 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 154 Dim 803 ENuc 1731.4226982094 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 1.458e-04 Time for diagonalization 0.253 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.133 sec Total time needed 0.389 sec 16 16 16 15 8 8 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 1 267.2638609999999 AuxInfo=1/0/N:14,15,8,9,10,12,13,11,7,5,6,4,3,1,2/E:(1,2)(3,4,5)(6,7)(10,11)/CRV:12.4,13.1/rA:36nSSS1P4OOCCCCCCCCCHHHHHHHHHHHHHHHHHHHHH/rB:;;s2s3;s4;s4;s1;s7;s7;s7;s1s2;s5;s6;s12;s13;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s15;s15;s15;/rC:2.1095,.1455,-1.0428;.1035,-1.657,.5073;-1.6792,.0867,-1.7968;-1.339,-.2127,.0729;-2.5602,-.7651,.9532;-.8862,1.039,.9478;3.3963,.1065,.2767;2.8009,.4757,1.6309;4.0917,-1.2461,.3403;4.3896,1.1806,-.1642;1.2306,-1.4124,-.9103;-3.4002,-1.8152,.4564;-1.2228,2.394,.6237;-4.7149,-1.2564,-.0347;.0264,3.2392,.6789;2.321,1.453,1.5958;2.0541,-.2454,1.9577;3.5907,.5116,2.3862;4.9455,-1.1875,1.0189;4.4626,-1.5559,-.6375;3.4361,-2.0271,.7276;4.8518,.9338,-1.1202;3.9094,2.1559,-.2622;5.1816,1.279,.5811;.6415,-1.4899,-1.8243;1.9135,-2.2606,-.8815;-2.8967,-2.3696,-.3406;-3.5491,-2.5022,1.2901;-1.6745,2.4444,-.3693;-1.9641,2.7303,1.3512;-5.2282,-.7053,.753;-4.5621,-.5924,-.8844;-5.3656,-2.0712,-.3538;.7503,2.9033,-.0628;-.2251,4.2793,.4693;.4919,3.1988,1.6636; 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 4 267.2638609999999 AuxInfo=1/0/N:14,15,8,9,10,12,13,11,7,5,6,4,3,1,2/E:(1,2)(3,4,5)(6,7)(10,11)/CRV:12.4,13.1/rA:36nSSS1P4OOCCCCCCCCCHHHHHHHHHHHHHHHHHHHHH/rB:;;s2s3;s4;s4;s1;s7;s7;s7;s1s2;s5;s6;s12;s13;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s15;s15;s15;/rC:2.1095,.1455,-1.0428;.1035,-1.657,.5073;-1.6792,.0867,-1.7968;-1.339,-.2127,.0729;-2.5602,-.7651,.9532;-.8862,1.039,.9478;3.3963,.1065,.2767;2.8009,.4757,1.6309;4.0917,-1.2461,.3403;4.3896,1.1806,-.1642;1.2306,-1.4124,-.9103;-3.4002,-1.8152,.4564;-1.2228,2.394,.6237;-4.7149,-1.2564,-.0347;.0264,3.2392,.6789;2.321,1.453,1.5958;2.0541,-.2454,1.9576;3.5907,.5116,2.3862;4.9455,-1.1875,1.0189;4.4626,-1.5559,-.6375;3.4361,-2.0271,.7276;4.8518,.9338,-1.1202;3.9094,2.1559,-.2622;5.1816,1.279,.5811;.6415,-1.4899,-1.8243;1.9135,-2.2606,-.8815;-2.8967,-2.3696,-.3406;-3.5491,-2.5022,1.2901;-1.6745,2.4444,-.3693;-1.9641,2.7303,1.3512;-5.2282,-.7053,.753;-4.5621,-.5924,-.8844;-5.3656,-2.0712,-.3538;.7503,2.9033,-.0628;-.2251,4.2793,.4693;.4919,3.1988,1.6636; -2042.18043121 1731.42269821 -3773.60312942 -6257.91138441 2484.30825499 -4079.19609555 2037.01566434 2.00253546 77.000005108416 77.000005108416 154.000010216833 -124.868225689345 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 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 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 -2420.6686 -2420.1692 -2419.1953 -2102.9374 -524.2679 -524.2677 -281.3367 -281.3321 -281.2759 -280.9001 -279.5598 -279.5106 -279.4261 -279.4061 -279.2515 -219.2194 -218.6909 -217.7791 -184.2104 -163.5253 -163.4407 -163.3058 -163.0229 -162.9116 -162.7592 -162.0859 -161.9319 -161.9277 -133.9466 -133.9342 -133.8991 -32.5715 -31.5054 -26.2650 -25.2581 -24.4049 -23.8338 -23.0406 -22.2558 -22.1174 -21.9298 -20.8400 -20.2201 -19.9035 -18.1540 -17.5119 -17.2103 -16.1701 -16.1637 -15.7485 -15.2901 -15.1411 -14.9885 -14.7611 -14.4468 -14.4077 -13.8773 -13.6144 -13.5114 -13.3655 -13.0868 -12.9690 -12.8789 -12.6889 -12.6019 -12.0724 -11.9117 -11.8357 -11.7972 -11.5569 -11.2449 -10.8337 -10.4500 -9.6616 -9.0723 -8.9441 -8.5470 1.7368 2.7018 3.0081 3.1380 3.2589 3.4702 3.5730 3.6067 3.8942 4.0779 4.3448 4.3708 4.5124 4.7461 4.7662 4.8820 5.0545 5.1717 5.2661 5.3114 5.4369 5.5034 5.6386 5.8301 5.9176 5.9811 6.1059 6.1730 6.3723 6.4692 6.5055 6.7087 6.8724 6.9927 7.2315 7.6004 7.7118 7.8531 8.0418 8.1731 8.3540 8.4564 8.5031 8.7205 8.8641 8.9342 9.0800 9.3564 9.5029 9.5696 9.7978 9.9740 10.2243 10.3949 10.5558 10.6810 10.9718 11.0007 11.3448 11.6154 11.8137 12.0092 12.0374 12.3060 12.5717 12.6814 12.7474 12.9790 13.0192 13.2448 13.3208 13.4034 13.4392 13.7150 13.7417 13.9570 14.0434 14.0718 14.1742 14.2421 14.3212 14.5104 14.5805 14.6952 14.7390 14.7957 14.8588 15.0015 15.1103 15.1355 15.3627 15.3889 15.5355 15.6176 15.7305 15.8394 16.0007 16.1317 16.4786 16.4897 16.8194 17.0808 17.1780 17.2971 17.5741 17.6420 17.7148 17.8091 18.1325 18.2244 18.4990 18.8310 19.0351 19.1029 19.3525 19.6828 19.9193 20.0931 20.4754 20.5347 20.8542 21.1566 21.3978 21.5090 21.6079 22.2196 22.3482 22.4446 22.7643 22.8260 23.1358 23.4907 23.5652 23.8497 24.1116 24.2712 24.3339 24.4640 24.7209 24.9226 25.2611 25.3908 25.5779 25.8390 26.0381 26.1998 26.4283 26.5005 26.7726 26.8726 26.9725 27.2785 27.3846 27.5608 27.7471 27.9459 28.1502 28.2164 28.4271 28.6373 28.8039 29.0796 29.3230 29.4611 29.5544 29.7485 29.9398 30.2181 30.5654 30.8338 30.9896 31.1373 31.1557 31.3417 31.7441 31.9648 32.0413 32.2658 32.4230 32.5296 32.6705 32.9138 33.0519 33.2794 33.3758 33.6287 33.9484 34.0231 34.3838 34.4720 34.6412 34.7925 34.8398 34.9306 35.0330 35.3622 35.3878 35.6176 35.7697 35.9422 36.2188 36.7580 37.0502 37.2777 37.5806 37.8069 38.0570 38.3837 38.4751 38.6160 38.7460 38.9681 39.4548 39.6096 39.8544 40.0974 40.2997 40.3520 40.5143 40.8388 40.9787 41.1365 41.2519 41.3446 41.4790 41.7256 41.7818 41.9680 42.0335 42.1313 42.3376 42.4129 42.5034 42.7362 42.9770 43.0871 43.2946 43.4045 43.5566 43.7933 44.0006 44.1328 44.1720 44.2786 44.4722 44.5738 44.7303 44.8359 44.9680 45.2472 45.3072 45.4227 45.6577 45.7658 46.0581 46.2227 46.3993 46.4661 46.5800 46.7980 46.8622 46.9158 47.2254 47.3883 47.5896 47.9448 48.1541 48.2309 48.3101 48.6692 48.7696 49.4800 49.6211 49.9827 50.1050 50.4961 50.9556 50.9933 51.2454 51.3053 51.6657 52.0537 52.1639 52.5105 52.7048 52.7938 53.2793 53.4550 53.7105 54.1808 54.3168 54.8237 55.0594 55.1228 55.2929 55.9256 56.1667 56.6667 56.8722 57.1380 57.5933 57.6066 57.7667 58.0822 58.3296 58.5697 58.6143 58.8636 59.2046 59.7242 59.8867 60.0434 60.2095 60.5472 60.7549 61.1525 61.3329 61.8173 62.0090 62.3322 63.1196 63.4802 63.7786 64.1396 64.5286 64.6114 64.8624 65.1992 65.7443 66.0011 66.7335 66.9717 67.5523 67.8100 67.9835 68.4087 68.7829 69.4335 70.1285 70.2537 70.4848 70.8046 71.0795 71.1732 71.4558 71.6431 71.9414 72.0330 72.3056 72.4087 72.6652 72.7102 72.9962 73.4641 73.6166 74.4352 74.6437 74.7834 75.3137 75.4202 75.9709 76.0331 76.3051 76.6943 77.0612 77.4123 77.4597 77.6238 77.9644 78.2547 78.5699 78.9417 79.0953 79.2567 79.3324 79.5466 80.0536 80.2561 80.4503 80.7141 80.8097 81.0050 81.1635 81.2076 81.4494 82.1549 82.3915 82.6577 82.7554 83.1485 83.4966 83.6201 83.7210 84.1283 84.2739 84.5530 84.7030 84.8288 84.9829 85.1127 85.3050 85.6659 85.8178 86.0519 86.1276 86.1693 86.2510 86.2998 86.5373 86.9498 87.1851 87.1940 87.6575 88.1086 88.2124 88.7001 88.7514 88.8906 89.1007 89.1786 89.4484 89.6508 89.7235 90.1053 90.2529 90.4710 90.7206 91.2117 91.5294 91.9771 92.4790 92.5752 92.6574 92.7353 92.9084 93.2298 93.5652 93.6466 93.8400 94.0640 94.1920 94.5347 94.5421 94.7997 94.9416 95.1961 96.0374 96.5453 96.8885 97.2046 97.3098 97.5564 97.6873 98.0091 98.2745 98.3590 98.6770 98.9560 99.3216 99.4208 99.8021 100.0256 100.3537 100.5089 100.5397 100.6743 100.8839 101.0992 101.1764 101.3682 101.5941 101.9110 102.0142 102.5756 102.6493 102.8074 103.0975 103.3997 103.8325 103.9857 104.2158 104.4236 104.9999 105.2443 105.3443 105.6132 105.7760 105.8898 106.0877 106.5321 107.0137 107.1640 107.3033 107.4640 107.7245 108.0819 108.2223 108.5566 108.8866 109.0780 109.4956 109.8056 110.0186 110.3936 110.5024 110.7360 110.8319 111.0222 111.4210 111.4735 111.8990 112.0318 112.3647 112.4039 112.7359 113.1782 113.4693 113.5797 113.7155 113.7407 114.0074 114.0781 114.2005 114.4177 114.5300 114.8099 114.9158 115.0093 115.1975 115.5610 115.8812 116.0609 116.1685 116.4253 117.0705 117.2881 117.3398 117.5967 117.7303 117.9031 117.9773 118.3560 118.5767 118.6773 118.8246 119.1291 119.5141 119.9565 121.1185 121.1744 121.2217 121.7749 122.1499 122.3076 122.6396 122.7042 122.9673 123.0020 123.4461 123.5820 125.9563 126.0951 126.4138 126.9328 127.2172 127.5724 128.1148 128.1626 128.3356 128.6281 129.0984 129.1841 129.2554 129.5590 129.8484 130.0665 130.8133 131.3095 131.6218 132.0677 132.0795 132.8533 132.8989 133.2357 133.2655 133.5246 133.6099 133.7774 134.0347 134.2697 134.3964 134.5688 134.6987 134.9741 135.3132 135.9415 136.1644 138.0416 138.2431 138.5868 141.1125 141.4100 141.7609 142.4123 143.0279 143.0965 143.1944 143.3620 143.5133 143.8837 144.1084 144.6169 144.8401 145.0415 145.1251 145.5246 145.7778 145.8709 147.0326 147.1329 147.3874 147.4354 147.7740 147.9197 148.0298 148.2077 148.3046 148.3146 148.4923 148.7966 148.9953 149.2124 149.6117 149.8036 149.9027 150.3303 150.4531 150.5040 150.6553 150.8812 151.6970 152.0037 153.1681 153.3861 153.6138 153.7373 154.4535 154.5759 154.9486 155.7658 155.9708 156.1971 156.4267 156.6089 156.7845 157.1900 157.8380 157.8605 158.1971 158.4203 158.6923 159.6076 160.1092 160.2763 161.5526 162.3813 163.6136 166.7696 167.1091 168.2798 169.9160 171.3797 173.7508 179.6925 181.8462 182.4654 185.6805 186.0114 187.2705 187.5397 187.9555 188.4313 189.1930 189.7210 190.2672 190.5441 190.6554 191.4663 191.7108 192.2035 192.9791 193.2603 194.3090 195.1003 196.4727 197.2283 200.0919 200.2959 201.3800 211.2503 219.2745 230.9631 247.4026 248.4375 248.6487 250.6967 255.2506 257.6157 258.9274 261.3846 264.6263 432.5180 521.9476 530.5491 544.6887 620.1615 628.7168 636.7593 637.0841 645.8105 646.3103 646.5547 646.8633 650.6929 1203.1085 1203.6555 -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 S S S P O O 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 -0.117114 -0.161039 -0.409060 0.632425 -0.333082 -0.302511 0.152133 -0.298202 -0.322064 -0.274882 -0.160274 0.024126 0.041476 -0.226716 -0.251036 0.087215 0.102724 0.090376 0.091495 0.104799 0.083975 0.103421 0.099290 0.083634 0.162787 0.136437 0.079332 0.095528 0.084909 0.094050 0.083763 0.084881 0.077835 0.084015 0.091517 0.083836 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 S S S P O O 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 16.1171 16.1610 16.4091 14.3676 8.3331 8.3025 5.8479 6.2982 6.3221 6.2749 6.1603 5.9759 5.9585 6.2267 6.2510 0.9128 0.8973 0.9096 0.9085 0.8952 0.9160 0.8966 0.9007 0.9164 0.8372 0.8636 0.9207 0.9045 0.9151 0.9059 0.9162 0.9151 0.9222 0.9160 0.9085 0.9162 16.0000 16.0000 16.0000 15.0000 8.0000 8.0000 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 -0.1171 -0.1610 -0.4091 0.6324 -0.3331 -0.3025 0.1521 -0.2982 -0.3221 -0.2749 -0.1603 0.0241 0.0415 -0.2267 -0.2510 0.0872 0.1027 0.0904 0.0915 0.1048 0.0840 0.1034 0.0993 0.0836 0.1628 0.1364 0.0793 0.0955 0.0849 0.0941 0.0838 0.0849 0.0778 0.0840 0.0915 0.0838 2.2744 2.2884 2.0306 5.4378 2.1129 2.1320 3.9167 3.9268 3.9299 3.8858 4.0078 3.8993 3.8459 3.9333 3.9305 1.0117 1.0249 1.0089 1.0093 1.0104 1.0017 1.0155 1.0097 1.0075 1.0210 0.9987 1.0130 0.9932 1.0221 0.9942 1.0045 1.0228 1.0113 1.0168 1.0156 1.0002 2.2744 2.2884 2.0306 5.4378 2.1129 2.1320 3.9167 3.9268 3.9299 3.8858 4.0078 3.8993 3.8459 3.9333 3.9305 1.0117 1.0249 1.0089 1.0093 1.0104 1.0017 1.0155 1.0097 1.0075 1.0210 0.9987 1.0130 0.9932 1.0221 0.9942 1.0045 1.0228 1.0113 1.0168 1.0156 1.0002 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 1.0081 1.0873 1.1092 0.9706 1.7971 1.1686 1.2052 0.8654 0.8927 0.9724 0.9379 0.9437 0.9888 0.9780 0.9858 0.9775 0.9950 0.9953 0.9919 0.9877 0.9807 0.9520 0.9607 0.9785 0.9804 0.9799 0.9655 0.9768 0.9822 0.9894 0.9793 0.9871 0.9854 0.9882 0.9922 0 6 0 10 1 3 1 10 2 3 3 4 3 5 4 11 5 12 6 7 6 8 6 9 7 15 7 16 7 17 8 18 8 19 8 20 9 21 9 22 9 23 10 24 10 25 11 13 11 26 11 27 12 14 12 28 12 29 13 30 13 31 13 32 14 33 14 34 14 35 -0.018353862 -2042.198785072140 12.56506 -12.27647 0.28859 6.30831 -6.43991 -0.13161 6.66400 -5.99654 0.66746 0.73899 1.87836