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:1.7082,-.7385,1.2862;.6833,.8074,-1.1999;-2.4872,.8537,-2.1046;-1.3063,.8457,-.5962;-1.4722,-.3515,.4583;-1.3582,2.0887,.411;3.2064,-1.5333,.5738;3.2264,-2.9123,1.2308;3.1011,-1.6765,-.9386;4.4577,-.7526,.9593;1.5744,.8199,.4021;-1.471,-1.7092,.0076;-2.5344,2.8956,.5557;-1.639,-2.6029,1.2109;-3.6356,2.1867,1.3113;4.1041,-3.4684,.8958;3.274,-2.8401,2.3185;2.3415,-3.493,.9671;3.1211,-.713,-1.4488;2.1837,-2.1857,-1.2322;3.9488,-2.2557,-1.3134;4.5512,-.66,2.0408;5.3488,-1.26,.5817;4.4625,.2524,.5347;1.094,1.5338,1.0688;2.5626,1.2217,.1759;-2.2814,-1.8518,-.7123;-.5249,-1.9227,-.4978;-2.1987,3.7818,1.0935;-2.8838,3.2097,-.4307;-.8191,-2.4664,1.9145;-2.5783,-2.4038,1.7267;-1.6456,-3.6457,.8928;-4.4609,2.8789,1.4817;-4.0247,1.3411,.7449;-3.2883,1.8278,2.2796; 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 1717.1317465272 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 1.619e-04 Time for diagonalization 0.252 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.173 sec Total time needed 0.428 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:1.7082,-.7385,1.2862;.6833,.8074,-1.1999;-2.4872,.8537,-2.1046;-1.3063,.8457,-.5962;-1.4722,-.3515,.4583;-1.3582,2.0887,.411;3.2064,-1.5333,.5738;3.2264,-2.9123,1.2308;3.1011,-1.6765,-.9386;4.4577,-.7526,.9593;1.5744,.8199,.4021;-1.471,-1.7092,.0076;-2.5344,2.8956,.5557;-1.639,-2.6029,1.2109;-3.6356,2.1867,1.3113;4.1041,-3.4684,.8958;3.274,-2.8401,2.3185;2.3415,-3.493,.9671;3.1211,-.713,-1.4488;2.1837,-2.1857,-1.2322;3.9488,-2.2557,-1.3134;4.5512,-.66,2.0408;5.3488,-1.26,.5817;4.4625,.2524,.5347;1.094,1.5338,1.0688;2.5626,1.2217,.1759;-2.2814,-1.8518,-.7123;-.5249,-1.9227,-.4978;-2.1987,3.7818,1.0935;-2.8838,3.2097,-.4307;-.8191,-2.4664,1.9145;-2.5783,-2.4038,1.7267;-1.6456,-3.6457,.8928;-4.4609,2.8789,1.4817;-4.0247,1.3411,.7449;-3.2883,1.8278,2.2796; 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:1.7082,-.7385,1.2862;.6833,.8074,-1.1999;-2.4872,.8537,-2.1046;-1.3063,.8457,-.5962;-1.4722,-.3515,.4583;-1.3582,2.0887,.411;3.2064,-1.5333,.5738;3.2264,-2.9123,1.2308;3.1011,-1.6765,-.9386;4.4577,-.7526,.9593;1.5744,.8199,.4021;-1.471,-1.7092,.0076;-2.5344,2.8956,.5557;-1.639,-2.6029,1.2109;-3.6356,2.1867,1.3113;4.1041,-3.4684,.8958;3.274,-2.8401,2.3185;2.3415,-3.493,.9671;3.1211,-.713,-1.4488;2.1837,-2.1857,-1.2322;3.9488,-2.2557,-1.3134;4.5512,-.66,2.0408;5.3488,-1.26,.5817;4.4625,.2524,.5347;1.094,1.5338,1.0688;2.5626,1.2217,.1759;-2.2814,-1.8518,-.7123;-.5249,-1.9227,-.4978;-2.1987,3.7818,1.0935;-2.8838,3.2097,-.4307;-.8191,-2.4664,1.9145;-2.5783,-2.4038,1.7267;-1.6456,-3.6457,.8928;-4.4609,2.8789,1.4817;-4.0247,1.3411,.7449;-3.2883,1.8278,2.2796; -2042.18176125 1717.13174653 -3759.31350778 -6229.07677805 2469.76327027 -4079.19121507 2037.00945381 2.00253917 77.000191180455 77.000191180455 154.000382360910 -124.865997563216 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 -2420.6664 -2420.3108 -2419.1377 -2102.8752 -524.2939 -524.2274 -281.4715 -281.3453 -281.1747 -281.0768 -279.6819 -279.6405 -279.5829 -279.4525 -279.4067 -219.2108 -218.8372 -217.7183 -184.1541 -163.5247 -163.4248 -163.2960 -163.1684 -163.0607 -162.9030 -162.0240 -161.8728 -161.8667 -133.8887 -133.8811 -133.8406 -32.5687 -31.4770 -26.4283 -25.2743 -24.4031 -23.8442 -23.1698 -22.2909 -22.2299 -22.1220 -20.8944 -20.1168 -19.9738 -18.0856 -17.6959 -17.1052 -16.5462 -15.9297 -15.8478 -15.4198 -15.3099 -15.1608 -14.8465 -14.5576 -14.2146 -13.8578 -13.8266 -13.4633 -13.3409 -13.2938 -13.1467 -12.9018 -12.8485 -12.5043 -12.1885 -12.0626 -11.9700 -11.8165 -11.5185 -11.2497 -10.9448 -10.4032 -9.7095 -9.1035 -8.9610 -8.6141 2.0572 2.5081 2.5951 3.0166 3.1404 3.2926 3.5104 3.7862 3.8996 4.0232 4.2430 4.3215 4.4962 4.6761 4.7298 4.8338 4.8798 5.0120 5.2246 5.3947 5.4584 5.5229 5.6987 5.8166 5.8797 5.9562 6.1650 6.2099 6.3530 6.4434 6.5053 6.7749 6.8503 7.1348 7.2088 7.4401 7.5760 7.7100 7.9925 8.0695 8.2934 8.3623 8.6628 8.7102 8.7890 8.9109 9.1616 9.2373 9.3344 9.6896 9.7790 9.9800 10.2198 10.2676 10.3671 10.7341 10.8151 10.9807 11.1780 11.2525 11.3951 11.6213 11.9173 12.0243 12.2619 12.5095 12.5955 12.8344 12.9521 13.1795 13.2245 13.2901 13.4428 13.5582 13.6706 13.7545 13.8167 13.8745 14.1024 14.1635 14.1959 14.2646 14.3967 14.5200 14.5645 14.7026 14.8387 14.9793 14.9948 15.0198 15.1977 15.4398 15.6751 15.7044 15.8364 15.9630 16.0163 16.1410 16.3401 16.4660 16.6209 16.8209 16.8490 17.0556 17.2076 17.4165 17.7292 17.8572 18.0391 18.1859 18.5170 18.6133 18.9952 19.1516 19.2470 19.6552 19.8938 20.3534 20.5122 20.6865 20.9113 21.0853 21.3271 21.5074 21.9105 21.9689 22.1653 22.4039 22.4973 22.6402 22.9994 23.0937 23.4362 23.4902 23.8368 23.9956 24.0991 24.3475 24.4620 24.6496 24.8401 25.0372 25.3806 25.7962 26.2044 26.4688 26.5813 26.6546 26.7960 26.9826 27.2567 27.3298 27.5851 27.6910 27.7529 27.9823 28.2054 28.2925 28.4177 28.5435 28.7688 29.1341 29.1989 29.4100 29.6468 29.7482 29.9789 30.0650 30.2510 30.4448 30.5598 30.9823 31.1677 31.4239 31.5167 31.7147 31.9360 32.2742 32.3788 32.5131 32.8023 33.0031 33.0925 33.1732 33.5154 33.6259 33.8566 34.1255 34.2729 34.3565 34.5577 34.7634 34.9013 35.0323 35.1793 35.2927 35.6693 35.7458 35.9486 36.2995 36.6852 36.8707 37.0330 37.2426 37.6061 37.8282 38.0663 38.2396 38.3590 38.4767 38.5128 38.7914 39.2342 39.4612 39.5990 39.9996 40.1743 40.4331 40.6263 40.7929 40.8684 40.8815 41.1449 41.2266 41.3488 41.4197 41.5970 41.8652 42.0491 42.1361 42.1918 42.3901 42.5273 42.7457 42.8182 43.0259 43.2528 43.3259 43.3540 43.6260 43.8450 43.8811 44.0772 44.2804 44.3931 44.5346 44.8342 44.9954 45.1104 45.3183 45.4708 45.6375 45.7795 45.8786 45.8998 46.0229 46.2269 46.4147 46.6123 46.7129 46.8758 47.0763 47.1573 47.2726 47.4656 47.7289 47.9579 48.3338 48.5497 48.8510 49.1058 49.3770 49.4865 49.7344 49.8380 50.1088 50.4613 50.6359 50.7818 51.0728 51.4836 52.0757 52.3331 52.6000 52.6614 52.7637 53.1077 53.4097 54.1459 54.3598 54.4461 54.5691 54.9347 55.1368 55.1592 55.3640 55.8127 56.0377 56.2794 56.6090 57.0861 57.4009 57.5632 57.8500 58.3388 58.5862 58.7081 59.0639 59.4036 59.6796 60.0099 60.5779 60.6884 61.0776 61.2323 61.3984 61.6898 62.2175 62.4771 62.6837 62.8063 63.2328 63.8132 63.8746 64.1619 64.3750 64.7561 65.5873 65.7662 65.8674 66.3004 66.5879 67.2339 67.6013 67.9033 68.2241 68.6954 69.2811 70.2576 70.4469 70.5482 70.6494 70.9522 71.4173 71.4567 71.6569 71.8131 71.9326 72.4831 72.5637 72.8890 72.9739 73.0178 73.3635 73.7712 73.9670 74.0610 74.6019 75.0216 75.7216 75.8429 76.2490 76.4737 76.8773 77.1823 77.2375 77.3685 77.9317 78.0744 78.3459 78.6451 78.7614 78.9787 79.0163 79.1131 79.2538 79.8620 80.3915 80.4756 80.8116 80.8686 80.9489 81.1131 81.1227 81.5282 81.7953 82.0557 82.3517 82.6406 82.7536 83.2091 83.4396 83.9862 84.0324 84.1028 84.3760 84.6912 84.9331 85.0936 85.2072 85.4313 85.4607 85.6491 85.7007 86.1670 86.2158 86.5834 86.6419 86.7350 86.8812 87.1263 87.8903 87.9763 88.1582 88.2978 88.6173 88.8560 89.0143 89.4323 89.5447 89.6581 89.8347 89.9037 90.1890 90.4659 90.8230 90.8994 91.3199 91.6615 91.9389 92.1280 92.2343 92.3381 92.5601 92.8140 93.1388 93.2985 93.4357 93.5414 93.7506 94.1266 94.3055 94.5321 94.6221 95.2786 95.4896 95.5650 96.4742 96.9792 97.3086 97.3218 97.6257 97.7590 97.8458 98.0459 98.3695 98.7902 98.9302 99.4364 99.5424 99.7249 99.9949 100.0868 100.3635 100.3901 100.8315 100.8817 100.9706 101.0729 101.4574 101.6120 101.8028 101.8339 102.2511 102.4328 102.9321 103.1963 103.4218 103.4946 103.6755 104.0911 104.3852 104.6683 105.1358 105.2274 105.2975 105.4369 105.5689 105.9092 106.1661 106.5212 106.7806 107.3202 107.4948 107.8739 108.0158 108.5450 108.7643 108.8332 109.0972 109.5442 109.7366 110.1034 110.1726 110.5511 110.7765 110.8195 111.0898 111.3949 111.5023 111.6140 112.0001 112.2637 112.7603 113.1134 113.3125 113.4312 113.5394 113.7229 113.7651 113.8478 114.0352 114.0886 114.2252 114.4185 114.6293 114.8730 115.1382 115.5510 115.5992 115.7419 115.9461 116.1607 116.2218 116.6073 116.8647 117.0577 117.2383 117.3542 117.7281 117.9056 117.9319 118.2075 118.4017 118.7953 119.4899 119.4986 120.2168 121.0119 121.1243 121.5914 122.0578 122.1670 122.2944 122.3973 122.7058 123.1484 123.2762 123.5488 124.1506 125.7167 126.1028 126.1970 126.8810 127.2738 127.5936 128.0198 128.1423 128.3371 128.7058 128.8463 128.9326 129.0280 129.2467 129.5020 129.9759 130.7240 131.1112 131.7998 131.9424 132.4027 132.6677 132.9640 133.0782 133.1437 133.3616 133.5627 133.8986 133.9603 134.1447 134.1905 134.3816 134.6924 135.0418 135.1716 136.1701 136.4401 137.9814 138.1720 138.5316 140.9088 141.0199 141.6115 142.0185 142.4635 142.9253 143.1132 143.3202 143.6334 143.8601 144.1998 144.4367 144.6417 144.9488 145.1172 145.2100 145.3681 145.7219 146.4828 147.1200 147.4740 147.9456 148.0463 148.0984 148.1567 148.2289 148.3083 148.4051 148.4940 148.7842 148.9411 149.1225 149.3099 149.6457 149.9287 150.1354 150.4563 150.4935 150.7174 150.8707 151.2861 152.1833 153.0237 153.1685 153.3007 153.7259 154.5782 154.6591 155.3168 155.7414 155.8452 156.3677 156.4947 156.5959 156.7473 157.1775 157.4830 157.7099 157.9544 157.9857 158.1152 159.4309 159.8484 161.1127 162.0759 162.6454 164.1836 166.6150 167.5517 168.5160 169.5038 171.5098 172.7972 179.2082 183.2437 183.9852 184.6890 185.1547 186.8043 187.1229 187.3139 188.3972 189.1030 189.8110 189.8567 190.2512 190.4286 190.9820 191.1717 191.8841 192.2625 192.8709 194.0828 195.4740 197.8157 198.6172 200.3863 200.9992 202.3220 212.0169 219.3798 230.3554 246.4614 247.3881 247.8356 250.9793 255.6209 257.5930 260.1535 261.7649 264.5277 432.7273 524.7815 531.2055 545.6967 619.8104 628.7561 636.5097 637.4656 645.5532 645.9304 646.3769 646.5420 650.3437 1203.2124 1204.5539 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 -0.121337 -0.126853 -0.385130 0.605998 -0.304373 -0.328840 0.145998 -0.278861 -0.307858 -0.295973 -0.177168 -0.004366 0.006643 -0.224609 -0.218709 0.087656 0.104778 0.099924 0.082493 0.106887 0.095034 0.100215 0.089334 0.087383 0.156406 0.129008 0.112963 0.082719 0.091534 0.093453 0.082939 0.087203 0.074652 0.082249 0.081774 0.086833 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 16.1213 16.1269 16.3851 14.3940 8.3044 8.3288 5.8540 6.2789 6.3079 6.2960 6.1772 6.0044 5.9934 6.2246 6.2187 0.9123 0.8952 0.9001 0.9175 0.8931 0.9050 0.8998 0.9107 0.9126 0.8436 0.8710 0.8870 0.9173 0.9085 0.9065 0.9171 0.9128 0.9253 0.9178 0.9182 0.9132 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 -0.1213 -0.1269 -0.3851 0.6060 -0.3044 -0.3288 0.1460 -0.2789 -0.3079 -0.2960 -0.1772 -0.0044 0.0066 -0.2246 -0.2187 0.0877 0.1048 0.0999 0.0825 0.1069 0.0950 0.1002 0.0893 0.0874 0.1564 0.1290 0.1130 0.0827 0.0915 0.0935 0.0829 0.0872 0.0747 0.0822 0.0818 0.0868 2.2587 2.3020 2.0742 5.4315 2.0769 2.1061 3.9059 3.8799 3.9515 3.9315 4.0364 3.8636 3.9147 3.9356 3.8755 1.0074 1.0108 1.0127 1.0028 1.0061 1.0091 1.0154 1.0061 1.0086 1.0169 1.0126 1.0158 1.0034 0.9918 1.0125 1.0154 1.0081 1.0074 1.0118 1.0275 1.0076 2.2587 2.3020 2.0742 5.4315 2.0769 2.1061 3.9059 3.8799 3.9515 3.9315 4.0364 3.8636 3.9147 3.9356 3.8755 1.0074 1.0108 1.0127 1.0028 1.0061 1.0091 1.0154 1.0061 1.0086 1.0169 1.0126 1.0158 1.0034 0.9918 1.0125 1.0154 1.0081 1.0074 1.0118 1.0275 1.0076 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.9802 1.0796 1.1169 0.9846 1.8732 1.1502 1.1646 0.8577 0.8939 0.9421 0.9566 0.9655 0.9795 0.9896 0.9908 0.9894 0.9950 0.9789 0.9908 0.9810 0.9821 0.9566 0.9582 0.9661 0.9811 0.9828 0.9602 0.9815 0.9972 0.9883 0.9902 0.9874 0.9843 0.9787 0.9847 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 -0.018157446 -2042.199918700220 12.71554 -11.81848 0.89706 -13.51159 13.19636 -0.31523 12.37415 -11.41002 0.96413 1.35411 3.44189