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:-.2336,.3352,-1.6019;-3.3952,-.7357,1.3386;1.2164,1.1245,1.3838;1.3652,.167,-.2806;1.5366,-1.4205,-.1609;2.5976,.5537,-1.2314;-1.6286,.4548,-.4266;-1.8911,-.8303,.3356;2.2685,-2.0166,.9183;3.2034,1.851,-1.214;-4.6653,-.9756,.0635;3.752,-1.7237,.8703;2.3477,2.9114,-1.8697;-6.0323,-1.0349,.724;-2.4763,.7239,-1.0581;-1.4423,1.2828,.2568;-1.0799,-1.0202,1.0389;-1.9451,-1.6873,-.338;1.8438,-1.6861,1.8696;2.0817,-3.0852,.8183;3.4369,2.1299,-.1834;4.1435,1.7241,-1.7503;-4.6347,-.1587,-.6599;-4.4606,-1.9042,-.4734;4.2594,-2.3161,1.6323;4.1794,-1.9807,-.0981;3.9621,-.6749,1.0782;2.0708,2.6316,-2.8857;1.4364,3.0987,-1.3028;2.9078,3.8457,-1.9165;-6.0923,-1.8597,1.4335;-6.2541,-.1122,1.26;-6.8091,-1.1799,-.0266; 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 1517.2063248653 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 1.677e-04 Time for diagonalization 0.214 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.155 sec Total time needed 0.372 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:-.2336,.3352,-1.6019;-3.3952,-.7357,1.3386;1.2164,1.1245,1.3838;1.3652,.167,-.2806;1.5366,-1.4205,-.1609;2.5976,.5537,-1.2314;-1.6286,.4548,-.4266;-1.8911,-.8303,.3356;2.2685,-2.0166,.9183;3.2034,1.851,-1.214;-4.6653,-.9756,.0635;3.752,-1.7237,.8703;2.3477,2.9114,-1.8697;-6.0323,-1.0349,.724;-2.4763,.7239,-1.0581;-1.4423,1.2828,.2568;-1.0799,-1.0202,1.0389;-1.9451,-1.6873,-.338;1.8438,-1.6861,1.8696;2.0817,-3.0852,.8183;3.4369,2.1299,-.1834;4.1435,1.7241,-1.7503;-4.6347,-.1587,-.6599;-4.4606,-1.9042,-.4734;4.2594,-2.3161,1.6323;4.1794,-1.9807,-.0981;3.9621,-.6749,1.0782;2.0708,2.6316,-2.8857;1.4364,3.0987,-1.3028;2.9078,3.8457,-1.9165;-6.0923,-1.8597,1.4335;-6.2541,-.1122,1.26;-6.8091,-1.1799,-.0266; 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:-.2336,.3352,-1.6019;-3.3952,-.7357,1.3386;1.2164,1.1245,1.3838;1.3652,.167,-.2806;1.5366,-1.4205,-.1609;2.5976,.5537,-1.2314;-1.6286,.4548,-.4266;-1.8911,-.8303,.3356;2.2685,-2.0166,.9183;3.2034,1.851,-1.214;-4.6653,-.9756,.0635;3.752,-1.7237,.8703;2.3477,2.9114,-1.8697;-6.0323,-1.0349,.724;-2.4763,.7239,-1.0581;-1.4423,1.2828,.2568;-1.0799,-1.0202,1.0389;-1.9451,-1.6873,-.338;1.8438,-1.6861,1.8696;2.0817,-3.0852,.8183;3.4369,2.1299,-.1834;4.1435,1.7241,-1.7503;-4.6347,-.1587,-.6599;-4.4606,-1.9042,-.4734;4.2594,-2.3161,1.6323;4.1794,-1.9807,-.0981;3.9621,-.6749,1.0782;2.0708,2.6316,-2.8857;1.4364,3.0987,-1.3028;2.9078,3.8457,-1.9165;-6.0923,-1.8597,1.4335;-6.2541,-.1122,1.26;-6.8091,-1.1799,-.0266; -2002.86495678 1517.20632487 -3520.07128164 -5777.46465547 2257.39337382 -4000.75967634 1997.89471956 2.00248774 72.999980930489 72.999980930489 145.999961860977 -120.688227470460 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 -2420.6569 -2420.0973 -2419.2710 -2102.9713 -524.3549 -524.3150 -281.3900 -281.3754 -280.7627 -280.4877 -280.4487 -279.5730 -279.5423 -279.4905 -219.2043 -218.6112 -217.8525 -184.2510 -163.5106 -163.4279 -163.2893 -162.9382 -162.8351 -162.6844 -162.1596 -162.0053 -162.0012 -133.9865 -133.9709 -133.9429 -32.6141 -31.5596 -25.9229 -25.0301 -24.4096 -23.9294 -23.4383 -22.6995 -21.4107 -20.8228 -20.3499 -19.8571 -18.7669 -17.8369 -17.0785 -16.4045 -16.1263 -15.8757 -15.4179 -15.2995 -14.9888 -14.8768 -14.5241 -14.1402 -13.7054 -13.6282 -13.3808 -13.2147 -13.1741 -13.0704 -12.7478 -12.4046 -12.2514 -11.7970 -11.5963 -11.3656 -11.2232 -10.9174 -10.7884 -9.6767 -9.2227 -8.9915 -8.5169 1.9005 2.6678 2.9120 3.0240 3.3066 3.5373 3.6119 3.7739 3.8542 4.0423 4.2134 4.2368 4.3294 4.5370 4.6440 5.0089 5.1688 5.2647 5.3945 5.4746 5.5575 5.5816 5.7422 5.7805 5.9370 6.0607 6.2384 6.5870 6.6073 6.7015 6.9255 7.1182 7.1900 7.5921 7.7358 8.0049 8.1934 8.2885 8.3967 8.4310 8.6033 8.7579 8.8803 8.9800 9.2835 9.5606 9.6979 9.7700 9.8084 10.0177 10.1400 10.2635 10.5077 10.6201 10.8812 10.9976 11.5869 11.7078 11.9702 12.0916 12.3266 12.6802 12.7790 12.9811 13.1523 13.1983 13.3254 13.3570 13.4010 13.5584 13.6944 13.7415 13.8657 13.9558 14.0272 14.0873 14.1919 14.4754 14.5541 14.5844 14.6797 14.8193 14.8892 14.9654 15.0115 15.0580 15.2452 15.4490 15.5661 15.7829 15.9553 15.9981 16.1607 16.3056 16.4481 16.5690 16.9013 17.2166 17.4678 17.6388 17.7909 17.9686 18.1697 18.5053 18.5937 18.8164 18.9960 19.2319 19.4114 19.9130 20.1612 20.3201 20.5183 20.8017 21.0808 21.2473 21.7817 21.8454 22.0745 22.3804 22.7307 23.0527 23.4515 23.5971 23.8074 23.9449 24.1767 24.4395 24.5047 24.6503 24.8415 25.1893 25.3468 25.5215 25.9093 26.0537 26.2352 26.4571 26.6791 26.9052 27.0995 27.2115 27.3605 27.6444 27.8349 28.0710 28.1264 28.2807 28.3198 28.4454 28.8522 28.9494 29.1547 29.6578 29.8863 30.1348 30.2085 30.5169 30.7082 30.9361 30.9959 31.1650 31.5269 31.6284 31.8280 31.9276 32.0742 32.1988 32.5895 32.6427 32.9075 33.1079 33.4871 33.5104 33.7635 34.0140 34.1597 34.2708 34.5308 34.7749 34.8934 35.1441 35.4327 35.6169 35.9846 36.0408 36.2761 36.8307 37.0637 37.2230 37.3413 37.6148 37.7585 38.4622 38.8238 39.1105 39.4259 39.6635 39.9626 40.1456 40.2362 40.3621 40.5157 40.6672 40.7685 40.8796 41.1070 41.2313 41.2792 41.3665 41.4759 41.6389 41.7448 41.7734 42.0530 42.1233 42.2453 42.4366 42.5371 42.6429 42.6909 43.0625 43.1426 43.3030 43.6244 43.7945 44.0021 44.1116 44.3082 44.5897 44.7047 44.8660 44.9340 45.0020 45.3058 45.3746 45.4979 45.6658 45.8367 46.0895 46.2840 46.5385 46.6412 46.8007 47.2349 47.3467 47.6601 47.7269 48.0076 48.0429 48.2418 48.3857 48.6472 48.9474 49.2129 49.8775 50.0256 50.1148 50.5640 50.7479 51.1326 51.3566 51.6354 52.0239 52.7430 52.8257 53.1012 53.2721 53.5944 53.7974 54.4090 54.5627 54.8981 55.1781 55.4453 55.5801 55.8636 56.0017 56.4153 56.5379 56.8224 57.1202 57.3643 57.5801 58.0120 58.6373 58.9537 59.0098 59.2436 59.6896 59.9570 60.1290 60.3641 60.5040 60.8880 61.1004 61.7748 61.9698 62.6554 63.0574 63.5766 64.2724 64.5013 65.1209 65.5589 65.8681 66.0032 66.4032 66.5849 67.2997 67.6049 68.1387 68.6207 68.6899 69.2471 69.7583 70.2334 70.3963 70.6155 70.6288 71.2553 71.3081 71.5470 71.8591 72.1454 72.2857 72.9738 73.3061 73.4081 73.5444 73.8412 73.9215 74.0039 74.2413 74.4866 74.6198 75.0501 75.5255 76.2562 76.4887 76.8779 77.1433 77.5738 77.8770 78.2434 78.5930 78.6819 78.9094 79.1418 80.0299 80.3471 80.4976 80.5792 80.7175 80.9030 80.9621 81.0398 81.6939 82.0219 82.2735 82.5591 82.8168 82.9169 83.0581 83.3150 83.4476 83.7209 84.1324 84.3223 84.5387 84.6610 84.8507 85.3255 85.4072 85.4611 86.2073 86.2760 86.4831 86.7102 86.8003 87.0449 87.2996 87.4566 87.7016 88.0016 88.0391 88.2445 88.4612 88.6134 88.9648 89.0896 89.2436 89.4732 89.6704 89.8415 90.1864 90.3535 90.5452 90.6077 90.8728 91.4447 91.4967 91.7558 91.8579 92.1036 92.1643 93.1176 93.2514 93.5674 93.9472 94.3135 94.4792 94.5189 95.1346 97.1543 97.2605 97.4121 97.6530 97.8065 98.0111 98.2430 98.3979 98.6660 99.2440 99.3511 99.9763 100.1337 100.3019 100.4310 100.5159 100.7475 100.8462 101.1148 101.1443 101.5265 101.6707 101.7330 102.3341 102.4614 102.6142 102.9402 103.0497 103.7443 103.8784 104.2577 104.7158 104.8430 105.1501 105.2390 105.5403 106.0393 106.1026 106.3716 106.5756 106.6440 106.8037 107.2606 107.5419 107.7314 108.1785 108.5234 108.7550 108.8644 109.4035 109.4896 109.7187 109.9309 110.0311 110.6176 110.7436 111.0016 111.2298 111.3560 111.4147 111.6074 111.8478 112.0339 112.4148 112.5161 112.7712 113.1876 113.2126 113.3200 113.5660 113.8253 113.8978 114.0223 114.4319 114.5881 114.7056 114.8684 114.9922 115.5770 115.6513 116.1549 116.4980 117.2705 117.5719 117.8069 118.2163 118.5020 118.6277 119.1776 119.3499 119.5125 119.6342 120.2423 120.7026 121.2010 121.2783 121.4419 122.1199 122.3257 122.4049 122.4508 122.8900 123.1453 123.2779 125.7762 126.1617 126.5425 126.8301 126.9692 127.1333 127.3272 127.6121 128.1426 128.3719 129.1167 129.1625 129.2376 129.4318 129.9262 131.1206 131.4486 132.9876 133.0798 133.4533 133.6500 133.9726 134.1679 134.1947 134.7823 134.8325 134.9994 135.2540 136.0826 136.2368 136.3229 136.6753 136.7670 138.0037 138.1132 138.5036 139.2774 140.5233 141.4456 141.5983 142.0913 142.4325 143.3842 143.4895 143.7087 143.7956 144.2683 144.6498 145.4880 145.5963 146.7194 146.8316 147.3690 147.6572 147.9509 147.9702 148.0270 148.0647 148.3275 148.3622 148.4394 148.5590 149.4006 149.4644 149.7394 150.1299 150.5180 150.5689 150.6797 151.8869 151.9598 152.1443 152.1948 152.6151 152.7293 153.2983 153.5888 153.7038 154.5464 155.0088 155.6395 155.7998 156.0603 156.3270 156.5873 156.7063 156.8500 157.7385 157.8991 158.0498 158.4389 160.4008 161.8055 162.6597 163.1122 166.1998 167.4175 168.5484 169.8559 171.7083 173.8503 179.1732 182.8315 183.3250 184.4139 185.4184 187.4340 187.7090 188.0971 188.6280 188.7221 188.9003 189.1508 189.8022 189.8956 190.4797 190.6506 191.4762 191.7290 192.3205 192.8111 195.0503 197.4884 197.5573 199.4516 199.8054 201.6224 211.5877 219.1528 230.9064 247.1339 247.2145 248.4786 248.7388 256.0594 256.9942 259.3525 261.5165 262.3542 432.9358 522.6494 528.1664 539.6498 632.2059 633.6451 635.4705 636.5490 636.7520 645.4186 646.2884 646.5773 1203.4346 1204.2859 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 -0.143550 -0.107593 -0.403352 0.603556 -0.318463 -0.338181 -0.125228 -0.113446 0.021108 0.028203 -0.131975 -0.232560 -0.241616 -0.251023 0.111453 0.123274 0.099294 0.098682 0.089305 0.097084 0.088493 0.095832 0.079898 0.086214 0.085969 0.092725 0.077366 0.090278 0.086670 0.086198 0.091344 0.089980 0.084063 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 16.1436 16.1076 16.4034 14.3964 8.3185 8.3382 6.1252 6.1134 5.9789 5.9718 6.1320 6.2326 6.2416 6.2510 0.8885 0.8767 0.9007 0.9013 0.9107 0.9029 0.9115 0.9042 0.9201 0.9138 0.9140 0.9073 0.9226 0.9097 0.9133 0.9138 0.9087 0.9100 0.9159 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 -0.1436 -0.1076 -0.4034 0.6036 -0.3185 -0.3382 -0.1252 -0.1134 0.0211 0.0282 -0.1320 -0.2326 -0.2416 -0.2510 0.1115 0.1233 0.0993 0.0987 0.0893 0.0971 0.0885 0.0958 0.0799 0.0862 0.0860 0.0927 0.0774 0.0903 0.0867 0.0862 0.0913 0.0900 0.0841 2.3030 2.2230 2.0315 5.4265 2.1054 2.1041 3.8872 3.9438 3.8893 3.8789 4.0242 3.9034 3.9111 3.9316 1.0108 1.0390 1.0346 1.0231 1.0127 0.9903 1.0134 0.9900 0.9959 0.9978 1.0113 1.0068 1.0201 1.0047 1.0185 1.0134 1.0097 1.0081 1.0034 2.3030 2.2230 2.0315 5.4265 2.1054 2.1041 3.8872 3.9438 3.8893 3.8789 4.0242 3.9034 3.9111 3.9316 1.0108 1.0390 1.0346 1.0231 1.0127 0.9903 1.0134 0.9900 0.9959 0.9978 1.0113 1.0068 1.0201 1.0047 1.0185 1.0134 1.0097 1.0081 1.0034 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 1.1439 0.9661 1.0317 1.0841 1.8023 1.1678 1.1470 0.8937 0.8884 0.9197 0.9779 0.9895 0.9805 0.9960 0.9627 0.9917 0.9794 0.9613 0.9913 0.9793 0.9672 0.9820 0.9811 0.9856 0.9866 0.9777 0.9888 0.9794 0.9852 0.9918 0.9900 0.9849 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 -0.014702969 -2002.879659747762 -5.31580 5.53538 0.21958 -2.02068 1.76988 -0.25080 -0.80866 0.10951 -0.69915 0.77455 1.96875