Orca 5.0.4 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 S S S P O O 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 1 1 1 2 3 3 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 5 255.25316099999992 AuxInfo=1/0/N:12,13,14,9,10,11,8,7,5,6,4,3,2,1/E:(1,2)(4,5)(9,10)/CRV:11.4,12.1/rA:33nSSS1P4OOCCCCCCCCHHHHHHHHHHHHHHHHHHH/rB:;;s1s3;s4;s4;s1;s2s7;s5;s6;s2;s9;s10;s11;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;/rC:.3107,-.6816,-1.7271;-3.2297,-1.9763,.6468;-.2024,1.7974,.5427;1.0633,.5833,-.2307;1.7679,-.3392,.8619;2.3335,1.1916,-.9988;-1.4122,-.8853,-1.1506;-1.5225,-1.7676,.0776;2.721,-1.3589,.5298;2.1815,2.2987,-1.8991;-3.4994,-.442,1.5922;2.2325,-2.6955,1.0324;2.5903,3.5883,-1.2271;-4.1445,.6851,.8058;-1.9483,-1.3228,-1.9928;-1.8167,.1091,-.9721;-.924,-1.3749,.9009;-1.149,-2.7687,-.1433;2.8982,-1.4034,-.5474;3.6621,-1.0769,1.0035;2.8182,2.0785,-2.7561;1.1518,2.3599,-2.2616;-4.1345,-.7277,2.4319;-2.5431,-.1262,2.0131;2.0281,-2.669,2.1021;1.3243,-2.9997,.5131;2.9924,-3.4564,.853;2.5226,4.411,-1.9397;1.9367,3.8139,-.3859;3.6176,3.5384,-.8675;-3.4901,1.0538,.0181;-5.0787,.3637,.3476;-4.3636,1.5265,1.4656; 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 903 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 146 Dim 744 ENuc 1549.1909197460 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 1.252e-04 Time for diagonalization 0.213 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.156 sec Total time needed 0.371 sec 16 16 16 15 8 8 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 1 255.25316099999992 AuxInfo=1/0/N:12,13,14,9,10,11,8,7,5,6,4,3,2,1/E:(1,2)(4,5)(9,10)/CRV:11.4,12.1/rA:33nSSS1P4OOCCCCCCCCHHHHHHHHHHHHHHHHHHH/rB:;;s1s3;s4;s4;s1;s2s7;s5;s6;s2;s9;s10;s11;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;/rC:.3107,-.6816,-1.7271;-3.2297,-1.9763,.6468;-.2024,1.7974,.5427;1.0633,.5833,-.2307;1.7679,-.3392,.8619;2.3335,1.1916,-.9988;-1.4122,-.8853,-1.1506;-1.5225,-1.7676,.0776;2.721,-1.3589,.5298;2.1815,2.2987,-1.8991;-3.4994,-.442,1.5922;2.2325,-2.6955,1.0324;2.5903,3.5883,-1.2271;-4.1445,.6851,.8058;-1.9483,-1.3228,-1.9928;-1.8167,.1091,-.9721;-.924,-1.3749,.9009;-1.149,-2.7687,-.1433;2.8982,-1.4034,-.5474;3.6621,-1.0769,1.0035;2.8182,2.0785,-2.7561;1.1518,2.3599,-2.2616;-4.1345,-.7277,2.4319;-2.5431,-.1262,2.0131;2.0281,-2.669,2.1021;1.3243,-2.9997,.5131;2.9924,-3.4564,.853;2.5226,4.411,-1.9397;1.9367,3.8139,-.3859;3.6176,3.5384,-.8675;-3.4901,1.0538,.0181;-5.0787,.3637,.3476;-4.3636,1.5264,1.4656; 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 4 255.25316099999992 AuxInfo=1/0/N:12,13,14,9,10,11,8,7,5,6,4,3,2,1/E:(1,2)(4,5)(9,10)/CRV:11.4,12.1/rA:33nSSS1P4OOCCCCCCCCHHHHHHHHHHHHHHHHHHH/rB:;;s1s3;s4;s4;s1;s2s7;s5;s6;s2;s9;s10;s11;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;/rC:.3107,-.6816,-1.7271;-3.2297,-1.9763,.6468;-.2024,1.7974,.5427;1.0633,.5833,-.2307;1.7679,-.3392,.8619;2.3335,1.1916,-.9988;-1.4122,-.8853,-1.1506;-1.5225,-1.7676,.0776;2.721,-1.3589,.5298;2.1815,2.2987,-1.8991;-3.4994,-.442,1.5922;2.2325,-2.6955,1.0324;2.5903,3.5883,-1.2271;-4.1445,.6851,.8058;-1.9483,-1.3228,-1.9928;-1.8167,.1091,-.9721;-.924,-1.3749,.9009;-1.149,-2.7687,-.1433;2.8982,-1.4034,-.5474;3.6621,-1.0769,1.0035;2.8182,2.0785,-2.7561;1.1518,2.3599,-2.2616;-4.1345,-.7277,2.4319;-2.5431,-.1262,2.0131;2.0281,-2.669,2.1021;1.3243,-2.9997,.5131;2.9924,-3.4564,.853;2.5226,4.411,-1.9397;1.9367,3.8139,-.3859;3.6176,3.5384,-.8675;-3.4901,1.0538,.0181;-5.0787,.3637,.3476;-4.3636,1.5265,1.4656; -2002.86458901 1549.19091975 -3552.05550876 -5841.25000308 2289.19449432 -4000.76098097 1997.89639196 2.00248671 73.000085899678 73.000085899678 146.000171799356 -120.687456004941 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 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 -2420.7385 -2420.0465 -2419.3162 -2103.0724 -524.4659 -524.4464 -281.5546 -281.4955 -280.7713 -280.5378 -280.2688 -279.6707 -279.5005 -279.2854 -219.2852 -218.5601 -217.8996 -184.3439 -163.5896 -163.5040 -163.3779 -162.8868 -162.7849 -162.6337 -162.2087 -162.0540 -162.0445 -134.0897 -134.0684 -134.0232 -32.7769 -31.6563 -25.9117 -24.9617 -24.5023 -24.0601 -23.3868 -22.6912 -21.3318 -20.7157 -20.4750 -19.8687 -18.6780 -18.3183 -17.3689 -16.4801 -16.2175 -16.0971 -15.3814 -15.1675 -14.7774 -14.6292 -14.3902 -14.0214 -13.7917 -13.5548 -13.4720 -13.3682 -13.1791 -13.0192 -12.8649 -12.5023 -12.2132 -12.1006 -11.8652 -11.4551 -11.2325 -10.7401 -10.6420 -9.7937 -9.2655 -9.0482 -8.4675 1.8329 2.6396 2.8897 3.0383 3.2849 3.4604 3.5696 3.8268 3.9282 4.0938 4.2462 4.3395 4.4093 4.5188 4.7114 4.8812 4.9781 5.0901 5.2896 5.3301 5.4471 5.5214 5.6389 5.8774 5.9603 6.1050 6.3412 6.5689 6.8114 6.9370 7.1955 7.2600 7.4420 7.7017 7.7911 8.0170 8.1131 8.2065 8.2896 8.3901 8.5539 8.6773 8.9330 9.0835 9.3030 9.4107 9.6344 9.7668 9.8754 10.0807 10.1484 10.3213 10.5989 10.7937 11.1519 11.4670 11.6792 11.9338 12.0477 12.3091 12.3402 12.6778 12.8805 12.9853 13.0450 13.1612 13.2534 13.3414 13.4299 13.5520 13.7142 13.7420 13.9126 14.0018 14.2168 14.2350 14.3591 14.4620 14.5542 14.6456 14.8176 14.8683 14.9668 15.0365 15.1231 15.2602 15.4763 15.5752 15.6945 15.8996 16.0032 16.1190 16.3647 16.6220 16.8100 16.9664 17.3158 17.4027 17.5830 17.7069 17.8002 18.1167 18.2513 18.4265 18.6259 18.9599 19.2141 19.4400 19.5041 19.8494 20.1329 20.3686 20.4754 20.7458 21.1573 21.4508 21.6953 22.0293 22.4796 22.6212 22.7608 22.9081 23.0034 23.5842 23.7210 24.0935 24.2225 24.7181 24.7945 24.9128 25.0134 25.1238 25.3882 25.6583 25.7357 25.9016 26.3427 26.6559 26.7315 26.9305 27.1078 27.1414 27.3557 27.6695 27.8570 27.9921 28.2342 28.3852 28.5519 28.7451 29.1124 29.2553 29.4621 29.6228 29.8983 29.9940 30.2184 30.5567 30.7033 31.0198 31.4134 31.6131 31.7614 31.8626 32.1363 32.2868 32.3465 32.4074 32.6954 32.7426 32.9823 33.1797 33.2802 33.5132 33.6965 33.8825 33.9567 34.3327 34.5046 34.6636 34.7852 35.0429 35.2042 35.5411 35.8565 35.9720 36.3389 36.8038 36.8714 37.0362 37.2795 37.6815 37.9334 38.1000 38.7013 38.8853 39.1878 39.4596 39.6482 39.8499 40.2194 40.3099 40.5001 40.6875 40.8882 40.9844 41.1120 41.2060 41.3369 41.4714 41.6984 41.8588 41.9093 42.0676 42.1917 42.2868 42.4061 42.5552 42.6948 43.0340 43.1158 43.2752 43.4237 43.6379 43.9226 44.0605 44.1095 44.2927 44.4605 44.6647 44.8062 44.9726 45.3036 45.3608 45.3915 45.5545 45.6558 45.8488 45.9834 46.2501 46.4773 46.6205 46.6964 47.0960 47.2200 47.5151 47.5958 47.8106 47.9003 48.2834 48.5207 48.8254 49.1255 49.1733 49.6437 49.7408 50.1309 50.4911 50.5860 51.3124 51.6307 51.6837 51.9411 52.4231 52.5565 52.6511 53.0088 53.3842 53.7005 53.9830 54.3684 54.7837 54.9858 55.2739 55.3284 55.5995 55.8283 56.2273 56.4841 57.1145 57.2130 57.4963 58.0023 58.1846 58.3166 58.4317 58.7960 59.1822 59.2892 59.6550 59.8378 59.9936 60.1295 60.2797 60.4822 60.9931 61.4307 62.2255 62.6316 63.6756 64.0522 64.8462 65.3523 65.4646 65.8643 66.1873 66.5400 66.8872 67.0194 67.4336 67.8071 68.2680 68.6776 69.1097 69.1986 70.1992 70.2706 70.3179 70.6754 70.8492 71.2818 71.3566 71.4145 71.7539 71.9997 72.2776 72.4198 72.6751 72.8794 73.3531 73.6360 73.8326 73.9953 74.4200 74.6725 75.0559 75.4488 75.5314 75.7378 76.1557 76.8980 77.2358 77.6149 77.9797 78.3292 78.7824 78.9077 79.1412 79.4188 79.7638 80.2997 80.5546 80.5820 80.8389 81.0836 81.2560 81.3372 81.6367 81.7894 82.1466 82.2116 82.6574 82.8948 83.1881 83.5020 83.8346 83.9539 84.2773 84.3325 84.8664 85.1061 85.2823 85.5795 85.7609 86.1046 86.1989 86.2177 86.2931 86.4334 86.8507 86.9763 87.1479 87.2682 87.6945 87.7830 88.0515 88.1811 88.4946 88.6213 89.0104 89.1632 89.3270 89.5210 89.6879 89.8925 90.1025 90.1833 90.3173 90.6290 90.7958 90.9291 91.3968 91.7373 92.2966 92.5170 93.1090 93.4530 93.5067 93.6700 93.8042 94.1596 94.8531 94.9294 96.2959 97.1593 97.1828 97.3962 97.5478 97.6317 97.7444 98.3050 98.5984 98.9501 99.2158 99.4354 99.6240 99.9703 100.1693 100.3792 100.5746 100.7453 100.8589 100.9199 101.2478 101.5733 101.8478 101.9159 102.0361 102.1264 102.3984 102.6497 103.3835 103.4976 103.9056 104.4164 104.7245 104.9797 105.2482 105.4356 105.5613 106.0580 106.1485 106.3818 106.9275 107.0882 107.1765 107.3879 107.7995 108.0570 108.3092 108.3904 108.8436 109.0344 109.4580 109.6447 109.7330 109.9279 110.2796 110.4723 110.7269 110.8662 110.9415 111.2860 111.3614 111.9786 112.2605 112.6017 112.6767 112.7222 112.7772 112.8825 113.0243 113.5257 113.6573 113.7519 114.0264 114.3524 114.5699 114.6941 114.9029 115.0286 115.0815 115.5423 115.8481 116.6500 117.1306 117.4972 117.9913 118.4996 118.7043 118.8341 118.9294 119.3427 119.6817 119.7380 120.0240 120.5175 120.7309 121.0059 121.1668 121.7459 121.9506 122.0370 122.3218 122.6013 122.7314 122.9799 123.8420 126.0390 126.0856 126.3550 126.8070 126.9403 127.4864 127.5684 128.1302 128.2182 128.3638 129.0981 129.1702 129.5707 129.8439 130.1631 130.8793 131.9608 132.7945 132.8600 133.1162 133.2664 134.2802 134.3818 134.5673 134.6749 134.7556 134.8010 135.3182 135.8943 135.9713 136.5625 136.5745 137.3257 137.9350 138.2741 138.5244 139.3661 140.7266 141.6180 142.2757 142.4658 142.6898 143.0825 143.2666 143.4839 143.8065 144.0215 144.6682 144.8148 145.7467 146.9364 146.9866 147.2092 147.3020 147.6237 147.8771 147.9533 148.0199 148.1183 148.2233 148.3944 148.9414 149.3135 149.8781 150.1233 150.1668 150.2634 150.3899 150.6243 151.7211 151.7947 152.0613 152.2172 152.6712 152.7641 153.5631 153.6481 154.1602 154.4028 154.7195 155.6146 155.9661 156.3254 156.4276 156.4539 156.7968 157.6742 157.7808 158.0750 158.5109 159.2886 159.7893 161.3880 162.3075 163.7884 166.7195 166.9866 167.8704 168.7327 170.9465 174.0893 179.5590 181.9643 182.8399 185.9226 186.0695 187.0227 187.6982 187.9508 188.7063 189.1267 189.3139 189.5524 189.7292 190.0646 190.0979 190.8944 191.5851 191.9127 192.0211 193.3082 194.8774 196.1282 197.5255 198.6338 199.5887 202.7409 211.2535 219.8413 230.6717 247.0312 247.2002 248.1627 249.6131 255.8360 257.2525 259.9779 261.3803 262.7105 432.3132 525.5432 529.0144 538.4679 632.8001 633.5841 635.8839 636.5811 637.1772 646.0035 646.2312 646.3419 1202.3550 1204.1976 -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 S S S P O O 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 -0.187361 -0.126075 -0.392494 0.630614 -0.309062 -0.332810 -0.078554 -0.171840 0.008765 0.018270 -0.112330 -0.219357 -0.221191 -0.240115 0.119320 0.107587 0.098960 0.111316 0.080702 0.097434 0.096078 0.082197 0.104696 0.082735 0.095556 0.072000 0.086619 0.078785 0.088046 0.082881 0.075570 0.086413 0.086647 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 S S S P O O 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 16.1874 16.1261 16.3925 14.3694 8.3091 8.3328 6.0786 6.1718 5.9912 5.9817 6.1123 6.2194 6.2212 6.2401 0.8807 0.8924 0.9010 0.8887 0.9193 0.9026 0.9039 0.9178 0.8953 0.9173 0.9044 0.9280 0.9134 0.9212 0.9120 0.9171 0.9244 0.9136 0.9134 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 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 -0.1874 -0.1261 -0.3925 0.6306 -0.3091 -0.3328 -0.0786 -0.1718 0.0088 0.0183 -0.1123 -0.2194 -0.2212 -0.2401 0.1193 0.1076 0.0990 0.1113 0.0807 0.0974 0.0961 0.0822 0.1047 0.0827 0.0956 0.0720 0.0866 0.0788 0.0880 0.0829 0.0756 0.0864 0.0866 2.2765 2.1981 2.0604 5.4193 2.1194 2.0926 3.8176 4.0161 3.9297 3.8961 3.9406 3.9069 3.9327 3.9243 1.0164 1.0551 1.0291 1.0106 0.9998 0.9963 0.9934 1.0115 1.0036 1.0243 1.0055 1.0150 1.0138 1.0103 1.0211 1.0059 1.0102 1.0112 1.0066 2.2765 2.1981 2.0604 5.4193 2.1194 2.0926 3.8176 4.0161 3.9297 3.8961 3.9406 3.9069 3.9327 3.9243 1.0164 1.0551 1.0291 1.0106 0.9998 0.9963 0.9934 1.0115 1.0036 1.0243 1.0055 1.0150 1.0138 1.0103 1.0211 1.0059 1.0102 1.0112 1.0066 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 1.0934 0.9301 1.0385 1.0030 1.8472 1.1911 1.1390 0.8841 0.8622 0.9117 0.9722 0.9940 1.0065 0.9848 0.9695 0.9868 0.9841 0.9807 0.9806 0.9828 0.9499 0.9857 0.9815 0.9906 0.9768 0.9890 0.9866 0.9798 0.9887 0.9825 0.9928 0.9851 0 3 0 6 1 7 1 10 2 3 3 4 3 5 4 8 5 9 6 7 6 14 6 15 7 16 7 17 8 11 8 18 8 19 9 12 9 20 9 21 10 13 10 22 10 23 11 24 11 25 11 26 12 27 12 28 12 29 13 30 13 31 13 32 -0.016302511 -2002.880891520463 -0.50980 1.44107 0.93128 0.85408 -0.99057 -0.13648 1.83970 -2.38765 -0.54795 1.08911 2.76829