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:3.1496,.3973,.435;.2136,.8024,.9293;-1.0262,-.7301,-1.8454;-1.4121,.3731,-.3237;-2.4362,-.1941,.7779;-2.0964,1.7506,-.7378;3.2278,-1.3927,.0011;3.3598,-1.568,-1.5068;4.4989,-1.8703,.7006;2.0206,-2.1573,.5275;1.5924,.9413,-.2705;-2.2758,-1.5208,1.3041;-2.5329,2.7401,.2027;-3.2429,-2.4796,.6507;-4.0327,2.6916,.3823;2.4686,-1.2297,-2.0373;4.2187,-1.0231,-1.8975;3.4887,-2.6259,-1.7489;4.6583,-2.9285,.485;4.4277,-1.7565,1.7828;5.3797,-1.3257,.3572;1.8807,-1.9974,1.5961;1.1019,-1.8721,.014;2.1667,-3.227,.3568;1.7077,1.9873,-.5469;1.3351,.378,-1.1687;-1.2452,-1.8632,1.1748;-2.4588,-1.4419,2.376;-2.0169,2.6234,1.1596;-2.2244,3.6995,-.2135;-3.1486,-3.4633,1.1117;-4.2736,-2.1486,.774;-3.0337,-2.5813,-.413;-4.3483,3.5082,1.0324;-4.5465,2.8055,-.5715;-4.3514,1.7553,.8366; 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 1700.9969879261 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 1.366e-04 Time for diagonalization 0.255 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 0.391 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:3.1496,.3973,.435;.2136,.8024,.9293;-1.0262,-.7301,-1.8454;-1.4121,.3731,-.3237;-2.4362,-.1941,.7779;-2.0964,1.7506,-.7378;3.2278,-1.3927,.0011;3.3598,-1.568,-1.5068;4.4989,-1.8703,.7006;2.0206,-2.1573,.5275;1.5924,.9413,-.2705;-2.2758,-1.5208,1.3041;-2.5329,2.7401,.2027;-3.2429,-2.4796,.6507;-4.0327,2.6916,.3823;2.4686,-1.2297,-2.0373;4.2187,-1.0231,-1.8975;3.4887,-2.6259,-1.7489;4.6583,-2.9285,.485;4.4277,-1.7565,1.7828;5.3797,-1.3257,.3572;1.8807,-1.9974,1.5961;1.1019,-1.8721,.014;2.1667,-3.227,.3568;1.7077,1.9873,-.5469;1.3351,.378,-1.1687;-1.2452,-1.8632,1.1748;-2.4587,-1.4419,2.376;-2.0169,2.6234,1.1596;-2.2244,3.6995,-.2135;-3.1486,-3.4633,1.1117;-4.2736,-2.1486,.774;-3.0337,-2.5813,-.413;-4.3483,3.5082,1.0324;-4.5465,2.8055,-.5715;-4.3514,1.7553,.8366; 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:3.1496,.3973,.435;.2136,.8024,.9293;-1.0262,-.7301,-1.8454;-1.4121,.3731,-.3237;-2.4362,-.1941,.7779;-2.0964,1.7506,-.7378;3.2278,-1.3927,.0011;3.3598,-1.568,-1.5068;4.4989,-1.8703,.7006;2.0206,-2.1573,.5275;1.5924,.9413,-.2705;-2.2758,-1.5208,1.3041;-2.5329,2.7401,.2027;-3.2429,-2.4796,.6507;-4.0327,2.6916,.3823;2.4686,-1.2297,-2.0373;4.2187,-1.0231,-1.8975;3.4887,-2.6259,-1.7489;4.6583,-2.9285,.485;4.4277,-1.7565,1.7828;5.3797,-1.3257,.3572;1.8807,-1.9974,1.5961;1.1019,-1.8721,.014;2.1667,-3.227,.3568;1.7077,1.9873,-.5469;1.3351,.378,-1.1687;-1.2452,-1.8632,1.1748;-2.4588,-1.4419,2.376;-2.0169,2.6234,1.1596;-2.2244,3.6995,-.2135;-3.1486,-3.4633,1.1117;-4.2736,-2.1486,.774;-3.0337,-2.5813,-.413;-4.3483,3.5082,1.0324;-4.5465,2.8055,-.5715;-4.3514,1.7553,.8366; -2042.18098032 1700.99698793 -3743.17796824 -6196.68773575 2453.50976750 -4079.17382579 2036.99284547 2.00254696 77.000160563914 77.000160563914 154.000321127828 -124.863398001634 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 -2420.6924 -2420.2426 -2419.2631 -2103.0358 -524.4644 -524.4086 -281.5005 -281.4997 -281.3229 -280.9044 -279.5768 -279.5063 -279.4997 -279.3726 -279.3091 -219.2393 -218.7645 -217.8458 -184.3046 -163.5421 -163.4626 -163.3265 -163.0976 -162.9870 -162.8303 -162.1561 -161.9999 -161.9900 -134.0524 -134.0299 -133.9813 -32.7340 -31.6286 -26.2744 -25.2244 -24.5172 -24.0587 -23.1424 -22.2284 -22.0400 -21.9265 -20.8094 -20.3871 -20.0527 -18.2772 -17.5208 -17.3231 -16.4588 -16.0715 -15.7821 -15.5947 -15.1590 -14.9387 -14.8633 -14.5898 -14.3370 -13.8947 -13.6464 -13.5437 -13.4615 -13.2279 -13.1789 -12.8812 -12.6490 -12.4633 -12.3015 -11.9364 -11.8144 -11.7675 -11.7413 -11.2983 -10.8676 -10.5438 -9.7315 -9.1776 -8.9610 -8.6421 1.8016 2.5359 2.9381 3.0585 3.0883 3.2704 3.5249 3.6014 3.7598 4.1119 4.3620 4.4962 4.5314 4.7258 4.7285 4.8701 4.9059 5.0912 5.1041 5.2473 5.3954 5.4416 5.5807 5.8135 5.9868 6.1080 6.1333 6.2214 6.3149 6.4726 6.5478 6.7229 7.0745 7.1346 7.2366 7.2901 7.4863 7.7562 7.9367 8.1029 8.1633 8.3824 8.5374 8.6277 8.7801 8.8184 9.0747 9.1848 9.3939 9.6207 9.8586 9.9837 10.1263 10.1914 10.4413 10.5046 10.6039 10.8314 11.0594 11.3109 11.4250 11.7694 12.0256 12.0553 12.3686 12.3873 12.5828 12.8837 12.9038 13.0837 13.2153 13.2552 13.4332 13.5426 13.6701 13.7776 13.8565 13.9199 14.1507 14.2746 14.3775 14.4303 14.5490 14.5827 14.6816 14.7556 14.8157 14.8655 15.0776 15.1328 15.2021 15.3608 15.5128 15.5843 15.9331 16.0222 16.1277 16.3166 16.4771 16.4831 16.7787 16.9472 17.1095 17.1914 17.3467 17.4532 17.6796 17.7949 17.9052 18.1400 18.4202 18.5545 18.6344 19.1884 19.3271 19.7033 19.9101 20.3300 20.5548 20.7438 21.0535 21.3063 21.4330 21.4676 21.7380 21.9775 22.2899 22.3661 22.4515 22.8385 23.1728 23.3728 23.5363 23.7353 23.8106 24.0393 24.1735 24.3279 24.5584 24.6328 24.9032 25.0284 25.5395 25.6695 25.8658 25.9579 26.2194 26.4555 26.7188 26.7847 27.0519 27.3916 27.4787 27.6898 27.8106 27.9808 28.0295 28.1641 28.2804 28.6336 28.7602 29.1170 29.3713 29.5464 29.6456 29.6505 29.8542 29.9759 30.3161 30.3280 30.6950 30.8530 31.1431 31.4278 31.5877 31.7231 31.9197 32.2801 32.4546 32.5655 32.7416 32.7628 32.8850 33.4099 33.4578 33.6508 33.7106 33.7309 34.0788 34.3313 34.5443 34.6542 34.8343 34.8684 35.1266 35.2011 35.3915 35.6046 35.8136 36.1968 36.4125 36.4904 36.8834 37.3554 37.4083 37.8218 37.9053 38.1446 38.3974 38.5650 38.6369 38.8620 39.0820 39.3372 39.6566 40.0056 40.2096 40.4559 40.6523 40.7815 40.8954 41.0169 41.0782 41.1619 41.3115 41.4112 41.4398 41.6925 41.8232 41.9127 42.1371 42.4883 42.6436 42.7627 42.8923 42.9592 43.0832 43.3694 43.4155 43.5055 43.6998 43.7398 43.8938 44.1250 44.3279 44.3945 44.7319 44.8018 45.1251 45.1728 45.2932 45.3532 45.5321 45.7756 45.9400 46.0295 46.2812 46.3325 46.5845 46.6546 46.7991 47.0938 47.2399 47.5111 47.7084 47.7959 47.9180 48.3802 48.4656 48.9267 49.0995 49.2223 49.5881 49.7266 50.0655 50.1631 50.5895 50.7869 51.0067 51.2313 51.5202 51.7873 51.8574 52.5539 52.9167 53.1587 53.3036 53.3644 53.8527 54.2298 54.4056 54.7416 54.9644 55.1570 55.4110 55.5252 55.9662 56.0673 56.5245 56.7315 56.9398 57.0889 57.5713 57.7303 57.8708 58.1319 58.7822 59.1872 59.4607 59.4990 59.6362 59.9708 60.2620 60.7952 61.0518 61.3801 61.6644 61.8550 62.2140 62.4976 63.0390 63.2336 63.7191 63.9592 64.1321 64.3976 64.9900 65.3890 65.7746 66.3220 66.5557 66.8685 67.2850 68.0497 68.1094 68.5469 69.1735 69.2285 69.9043 70.1934 70.3866 70.7305 71.1259 71.2148 71.3826 71.5029 71.6314 71.8448 72.0460 72.3508 72.4752 72.5421 72.9742 73.3127 73.4650 73.7342 73.9939 74.9072 75.0687 75.3729 75.6378 75.9729 76.3740 76.9012 76.9656 77.1718 77.6114 77.8038 78.2454 78.3914 78.7461 78.8259 78.9866 79.0919 79.4081 79.5960 80.0057 80.2301 80.4472 80.4969 80.6201 81.0698 81.3002 81.3393 81.6408 82.1176 82.3360 82.4671 82.6135 83.0581 83.1887 83.5329 83.7603 84.0571 84.2208 84.4371 84.5422 84.9036 85.1705 85.3711 85.4129 85.5602 85.6030 85.8725 86.0282 86.1445 86.2355 86.5595 86.7737 86.8103 87.0770 87.1747 87.6039 87.9994 88.2610 88.4060 88.6911 88.8704 89.1803 89.2952 89.4735 89.6300 89.9424 90.0030 90.1837 90.7128 90.9141 91.4042 91.6883 92.1096 92.4142 92.4416 92.5804 92.7533 92.9998 93.1035 93.3851 93.5977 93.6954 93.9325 94.1635 94.3093 94.4375 94.7343 95.3355 95.4924 95.6949 96.4858 96.9470 97.1182 97.3201 97.5255 97.5791 97.7645 98.0902 98.3150 98.5572 98.6840 98.8606 99.0728 99.4427 99.9391 100.0865 100.2318 100.4051 100.5385 100.7294 100.7910 100.8933 101.1589 101.3610 101.5066 101.8141 101.9927 102.1097 102.9189 103.2534 103.5362 103.7184 104.1279 104.2206 104.5178 104.8397 104.9947 105.1921 105.2990 105.6528 105.7856 106.0745 106.2213 106.8800 106.9586 107.0987 107.3673 107.6897 108.0494 108.2577 108.5277 108.8622 109.0611 109.5364 109.5918 109.9243 110.0939 110.5680 110.5941 110.6788 111.0359 111.3619 111.4448 111.5775 112.2558 112.2990 112.5922 112.6674 112.8376 113.0609 113.4681 113.6150 113.8112 113.9081 114.0460 114.0899 114.3305 114.4766 114.6073 114.6761 114.7735 114.8210 115.8199 116.2307 116.2810 116.4168 116.6418 116.7352 117.1394 117.3628 117.6197 117.7613 118.0305 118.0336 118.2668 118.5632 119.0243 119.2879 119.3698 119.7592 120.0806 120.8191 121.1251 121.4402 122.0250 122.2453 122.3275 122.5453 122.6558 122.7364 122.9912 123.7896 124.3310 125.7029 126.0352 126.2446 126.6844 126.9766 127.3562 128.0732 128.4984 128.5594 128.8935 128.9837 129.1521 129.2432 129.4160 129.5469 129.7822 130.1390 131.3489 131.7219 132.1241 132.5558 132.8019 132.8655 132.9446 133.2148 133.2984 133.5563 133.8730 134.1920 134.3315 134.4865 134.5630 134.8863 135.0332 135.1628 135.8928 136.0544 137.9138 138.0837 138.5059 141.1916 141.5115 141.8346 142.4440 142.5032 142.7382 143.1106 143.2597 143.3840 143.4428 144.2761 144.5770 144.7537 144.8382 145.1836 145.3670 145.5039 146.3507 146.7709 147.0925 147.2761 147.3567 147.5737 147.9605 148.0213 148.1351 148.2369 148.3222 148.4824 148.6975 148.9924 149.1108 149.3354 149.8342 149.9838 150.0921 150.3430 150.5105 150.5810 150.7480 151.8246 152.0343 153.4376 153.6290 153.6478 154.0364 154.2378 154.6664 155.0692 155.3015 155.7461 156.1462 156.3876 156.5070 156.6132 157.3209 157.7315 157.8832 158.0160 158.3509 158.8714 159.8984 160.0489 160.5013 161.3930 162.3231 163.5738 166.7159 167.0283 168.1432 168.6919 171.0505 174.3559 179.2232 181.9403 183.0491 185.6808 186.3839 187.2281 187.9732 188.2259 188.4802 189.0471 189.6613 189.8358 190.1233 190.5531 190.9842 191.1974 191.7949 192.2183 193.2824 193.5307 195.0293 196.2563 197.7833 198.7111 200.1493 202.6101 211.0824 219.7068 230.8045 247.6584 247.7950 248.1799 250.0276 255.7571 257.6361 259.8994 261.5014 263.9636 432.0442 524.9765 530.5125 542.0083 620.1983 628.6884 636.4452 637.2090 645.6556 646.1235 646.2852 646.5012 650.7539 1202.8467 1203.5566 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 -0.122163 -0.166322 -0.383057 0.629945 -0.328052 -0.311149 0.145900 -0.297100 -0.276681 -0.280809 -0.115763 0.014147 0.027863 -0.217556 -0.237464 0.098345 0.097660 0.085927 0.084191 0.103617 0.102679 0.101084 0.045979 0.089977 0.146986 0.101297 0.081332 0.097018 0.082660 0.095164 0.077858 0.083818 0.087502 0.080907 0.088534 0.085727 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 16.1222 16.1663 16.3831 14.3701 8.3281 8.3111 5.8541 6.2971 6.2767 6.2808 6.1158 5.9859 5.9721 6.2176 6.2375 0.9017 0.9023 0.9141 0.9158 0.8964 0.8973 0.8989 0.9540 0.9100 0.8530 0.8987 0.9187 0.9030 0.9173 0.9048 0.9221 0.9162 0.9125 0.9191 0.9115 0.9143 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 -0.1222 -0.1663 -0.3831 0.6299 -0.3281 -0.3111 0.1459 -0.2971 -0.2767 -0.2808 -0.1158 0.0141 0.0279 -0.2176 -0.2375 0.0983 0.0977 0.0859 0.0842 0.1036 0.1027 0.1011 0.0460 0.0900 0.1470 0.1013 0.0813 0.0970 0.0827 0.0952 0.0779 0.0838 0.0875 0.0809 0.0885 0.0857 2.2573 2.2880 2.0587 5.4250 2.0876 2.1506 3.9564 3.9435 3.8695 3.8941 3.9741 3.9192 3.8933 3.9275 3.9308 1.0061 1.0152 1.0062 1.0069 1.0134 1.0126 1.0123 1.0518 1.0145 1.0029 1.0728 0.9944 0.9947 1.0088 0.9924 1.0104 1.0060 1.0251 1.0097 1.0054 1.0159 2.2573 2.2880 2.0587 5.4250 2.0876 2.1506 3.9564 3.9435 3.8695 3.8941 3.9741 3.9192 3.8933 3.9275 3.9308 1.0061 1.0152 1.0062 1.0069 1.0134 1.0126 1.0123 1.0518 1.0145 1.0029 1.0728 0.9944 0.9947 1.0088 0.9924 1.0104 1.0060 1.0251 1.0097 1.0054 1.0159 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 1.0206 1.0727 1.0966 0.9595 1.8226 1.1264 1.2248 0.8594 0.8671 0.9709 0.9435 0.9627 0.9820 0.9914 0.9797 0.9784 0.9910 0.9904 0.9930 0.9778 0.9847 0.9669 0.9548 0.9811 0.9839 0.9855 0.9679 0.9845 0.9828 0.9854 0.9905 0.9777 0.9866 0.9871 0.9850 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 -0.018017600 -2042.198997918523 2.80747 -3.16098 -0.35351 -11.17490 11.11632 -0.05857 4.25280 -3.43077 0.82204 0.89674 2.27934