Orca 5.0.4 RELEASE 1 2 3 4 5 6 14s9p3d1f 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s5p3d1f 5s3p2d1f 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 S S P O O O N 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 1 1 2 3 3 3 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 265.20496099999986 AuxInfo=1/0/N:14,16,13,11,15,8,10,9,12,7,6,5,4,3,2,1/CRV:9.3,11.1,12.1,14.4/rA:34nSSP4OO1O1NCCCCC3CCCCHHHHHHHHHHHHHHHHHH/rB:;s1;s3;s3;;s3;s7;s1;s2s8;s9;s2s6s7;s9;s11;s4;s15;s8;s8;s9;s10;s10;s11;s11;s13;s13;s13;s14;s14;s14;s15;s15;s16;s16;s16;/rC:1.6442,.2019,.5873;-3.4377,.2298,.7276;.4156,-.6254,-.868;.4178,-2.1815,-.562;.7224,-.2195,-2.2517;-1.2686,-1.0104,1.6024;-1.1927,-.1467,-.5196;-2.085,.3659,-1.5489;2.0337,1.8182,-.2124;-3.163,1.147,-.8122;.8234,2.7423,-.3041;-1.7795,-.4248,.69;3.1829,2.4093,.5922;.133,3.0614,1.0123;1.1174,-2.8771,.4785;.5193,-4.2568,.6002;-2.5253,-.46,-2.1129;-1.5397,.9964,-2.247;2.3794,1.5889,-1.2206;-2.837,2.1607,-.5778;-4.0841,1.1985,-1.3888;1.1694,3.6695,-.7724;.1049,2.3163,-1.0067;3.4477,3.3856,.184;4.0673,1.776,.545;2.9247,2.5472,1.6418;-.2398,2.162,1.5018;.7979,3.5666,1.713;-.7167,3.7237,.8444;2.1775,-2.9268,.2214;1.0172,-2.343,1.4242;1.0472,-4.8129,1.3749;-.531,-4.2,.8828;.603,-4.8142,-.332; 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 988 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 150 Dim 781 ENuc 1719.4122630902 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 1.139e-04 Time for diagonalization 0.409 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.227 sec Total time needed 0.641 sec 16 16 15 8 8 8 7 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 1 265.20496099999986 AuxInfo=1/0/N:14,16,13,11,15,8,10,9,12,7,6,5,4,3,2,1/CRV:9.3,11.1,12.1,14.4/rA:34nSSP4OO1O1NCCCCC3CCCCHHHHHHHHHHHHHHHHHH/rB:;s1;s3;s3;;s3;s7;s1;s2s8;s9;s2s6s7;s9;s11;s4;s15;s8;s8;s9;s10;s10;s11;s11;s13;s13;s13;s14;s14;s14;s15;s15;s16;s16;s16;/rC:1.6442,.2019,.5873;-3.4377,.2298,.7276;.4156,-.6254,-.868;.4178,-2.1815,-.562;.7224,-.2195,-2.2517;-1.2686,-1.0104,1.6024;-1.1927,-.1467,-.5196;-2.085,.3659,-1.5489;2.0337,1.8182,-.2124;-3.163,1.147,-.8122;.8234,2.7423,-.3041;-1.7795,-.4248,.69;3.1829,2.4093,.5922;.133,3.0614,1.0123;1.1174,-2.8771,.4785;.5193,-4.2568,.6002;-2.5253,-.46,-2.1129;-1.5397,.9964,-2.247;2.3794,1.5889,-1.2206;-2.837,2.1607,-.5778;-4.0841,1.1985,-1.3889;1.1694,3.6695,-.7724;.1049,2.3164,-1.0067;3.4477,3.3856,.184;4.0673,1.776,.545;2.9247,2.5472,1.6418;-.2398,2.162,1.5018;.7979,3.5666,1.713;-.7167,3.7237,.8444;2.1775,-2.9268,.2214;1.0172,-2.343,1.4242;1.0472,-4.8129,1.3749;-.531,-4.2,.8828;.603,-4.8142,-.332; 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 4 265.20496099999986 AuxInfo=1/0/N:14,16,13,11,15,8,10,9,12,7,6,5,4,3,2,1/CRV:9.3,11.1,12.1,14.4/rA:34nSSP4OO1O1NCCCCC3CCCCHHHHHHHHHHHHHHHHHH/rB:;s1;s3;s3;;s3;s7;s1;s2s8;s9;s2s6s7;s9;s11;s4;s15;s8;s8;s9;s10;s10;s11;s11;s13;s13;s13;s14;s14;s14;s15;s15;s16;s16;s16;/rC:1.6442,.2019,.5873;-3.4377,.2298,.7276;.4156,-.6254,-.868;.4178,-2.1815,-.562;.7224,-.2195,-2.2517;-1.2686,-1.0104,1.6024;-1.1927,-.1467,-.5196;-2.085,.3659,-1.5489;2.0337,1.8182,-.2124;-3.163,1.147,-.8122;.8234,2.7423,-.3041;-1.7795,-.4248,.69;3.1829,2.4093,.5922;.133,3.0614,1.0123;1.1174,-2.8771,.4785;.5193,-4.2568,.6002;-2.5253,-.46,-2.1129;-1.5397,.9964,-2.247;2.3794,1.5889,-1.2206;-2.837,2.1607,-.5778;-4.0841,1.1985,-1.3888;1.1694,3.6695,-.7724;.1049,2.3163,-1.0067;3.4477,3.3856,.184;4.0673,1.776,.545;2.9247,2.5472,1.6418;-.2398,2.162,1.5018;.7979,3.5666,1.713;-.7167,3.7237,.8444;2.1775,-2.9268,.2214;1.0172,-2.343,1.4242;1.0472,-4.8129,1.3749;-.531,-4.2,.8828;.603,-4.8142,-.332; -1772.18625719 1719.41226309 -3491.59852028 -5858.30441509 2366.70589481 -3539.46269491 1767.27643772 2.00277818 74.999844234729 74.999844234729 149.999688469458 -116.190737956818 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2420.9287 -2420.5843 -2102.7072 -524.3280 -523.0619 -522.3074 -393.6825 -283.4754 -281.3958 -281.3150 -281.0992 -280.9732 -279.8674 -279.7396 -279.4798 -279.4191 -219.4664 -219.1448 -183.9913 -163.7881 -163.6811 -163.5485 -163.4526 -163.3625 -163.2315 -133.7475 -133.7243 -133.6598 -32.5470 -32.1040 -29.9483 -29.0896 -26.0332 -25.4218 -24.2072 -23.6216 -23.4067 -22.7827 -21.0053 -20.7506 -20.3101 -19.5648 -18.4441 -17.7883 -17.0144 -16.8405 -16.2566 -16.1239 -15.7450 -15.4924 -15.2459 -14.7061 -14.4961 -14.3748 -14.2766 -13.9400 -13.8531 -13.6679 -13.4499 -13.3346 -13.1017 -12.8592 -12.6837 -12.1888 -12.0944 -11.9067 -11.7706 -11.5185 -11.3704 -10.9276 -10.5333 -10.2701 -10.0747 -9.5796 -9.2474 1.8872 2.1127 2.4310 2.7677 3.0114 3.4240 3.5411 3.6079 3.7658 3.9538 4.0741 4.3980 4.5175 4.6044 4.9421 4.9801 5.1194 5.2995 5.3807 5.5603 5.6169 5.6794 5.7965 5.9103 6.0798 6.2773 6.4473 6.4984 6.6811 6.8825 6.9424 7.2680 7.3238 7.5098 7.5844 7.8185 8.0189 8.2288 8.3148 8.4496 8.6363 8.6907 8.8663 9.0030 9.3529 9.4418 9.6684 9.7541 10.1566 10.2303 10.4293 10.5416 10.6590 11.0088 11.3964 11.5441 11.6471 11.9187 12.0533 12.2196 12.3709 12.5239 12.5839 12.6924 12.8008 13.0249 13.1011 13.2413 13.2880 13.4015 13.6205 13.6813 13.7124 13.8883 13.9402 14.0885 14.1749 14.2029 14.2941 14.4358 14.5079 14.6943 14.6976 14.9709 15.0762 15.3108 15.4574 15.5515 15.7470 15.8639 15.9957 16.0587 16.3469 16.4734 16.5774 16.8514 16.9865 17.1844 17.4120 17.6449 17.6815 17.8624 18.2521 18.2897 18.5474 18.7220 18.7970 19.1553 19.2747 19.6397 19.8857 20.0862 20.6070 20.8610 20.9346 21.0331 21.1541 21.3846 21.7767 21.9408 22.0481 22.4142 22.4895 22.6505 23.0114 23.3806 23.7983 24.0214 24.1839 24.3485 24.5587 24.6598 24.8849 24.9335 25.2697 25.6950 25.8700 25.9111 26.3141 26.3960 26.5339 26.5621 26.6424 27.1607 27.2909 27.4621 27.5772 27.8346 28.0104 28.2149 28.4345 28.6450 28.7512 28.8690 29.1517 29.2386 29.6002 29.6127 29.6836 30.0881 30.2173 30.5808 30.6022 30.9973 31.2113 31.3055 31.3894 31.7197 31.9534 32.0561 32.0775 32.3761 32.3954 32.8612 32.8995 32.9937 33.1027 33.3011 33.6371 33.9208 34.1907 34.2416 34.5619 34.7045 34.8538 34.9637 35.3167 35.5310 35.7711 35.9809 36.2107 36.3956 36.4770 36.8332 37.1915 37.4345 37.9193 38.3272 38.4754 38.5626 38.8257 39.0574 39.2612 39.5439 39.7435 39.9911 40.2614 40.5332 40.5731 40.6522 40.8708 40.9007 41.1043 41.3003 41.3550 41.5664 41.7712 41.8230 42.0900 42.1771 42.3055 42.4045 42.5191 42.6967 42.7505 42.8599 43.2070 43.4895 43.5449 43.7115 43.9259 43.9882 44.3300 44.3888 44.4825 44.6401 44.8111 44.9025 45.1115 45.3529 45.4317 45.6073 45.9373 46.0547 46.2832 46.4904 46.7354 46.8275 47.0248 47.5514 47.7510 47.7859 47.8568 48.1261 48.5400 48.7597 48.9845 49.1851 49.2496 49.8365 50.0320 50.2886 50.7206 50.8536 51.1676 51.5115 51.7607 52.0082 52.3873 52.6753 52.8057 53.2645 53.5832 53.9591 54.2656 54.5635 54.9147 55.4306 55.5957 55.8629 56.3018 56.5014 56.8359 57.1895 57.6445 57.8263 58.2106 58.4579 58.7892 58.8912 58.9820 59.7196 59.9651 60.1345 60.3757 60.6268 60.6975 60.9521 61.0782 61.7242 62.1574 62.3961 62.6178 62.8182 63.3854 63.7256 64.1752 64.3864 64.5506 64.9759 65.6480 65.9590 66.0148 66.2996 66.9062 67.3876 67.5338 67.8192 68.2651 68.7041 68.8372 69.1920 69.8890 70.6735 70.7863 71.0522 71.2506 71.7311 71.8123 71.9844 72.2122 72.2899 72.7247 72.8055 72.8644 73.2297 73.5757 73.9713 74.0033 74.2652 74.5097 74.7673 75.2412 75.4648 75.6859 76.4284 76.8897 77.2705 77.8709 78.1216 78.1915 78.4527 78.7564 78.9698 79.3247 79.7102 79.7718 79.9687 80.2713 80.7330 80.9233 80.9860 81.3962 81.5013 81.7114 81.8671 82.4454 82.5734 82.7388 82.9423 83.0379 83.4337 83.8131 83.8835 83.9907 84.3042 84.4795 84.6312 84.8519 84.9084 85.2585 85.2932 85.5949 85.8578 86.0385 86.4134 86.4802 86.6698 86.7967 87.0318 87.3310 87.4529 87.7041 87.7568 88.0784 88.2057 88.4149 88.5046 88.8547 89.0031 89.1650 89.3003 89.3597 89.6217 89.8171 89.9683 90.2712 90.3470 90.4183 91.0069 91.1427 91.3863 91.4270 92.2432 92.3355 92.5978 92.7102 93.1168 93.4939 93.7865 94.0790 94.3536 94.6694 94.9713 95.2045 95.2490 95.3091 95.7888 96.3554 96.6053 97.0887 97.2513 97.4286 97.6007 97.8059 98.1179 98.2272 98.4198 98.5604 98.8306 98.9891 99.2806 99.4603 99.4843 100.0378 100.1303 100.3256 100.5543 100.9685 101.1397 101.6759 101.9005 102.0430 102.3396 102.5818 102.7627 103.1694 103.2866 103.4164 103.6563 103.9968 104.2383 104.5922 104.8404 105.1363 105.4134 105.5775 106.1825 106.5220 106.7373 106.8444 107.2243 107.7476 107.9595 108.2227 108.5735 108.6224 108.8399 108.8983 109.0211 109.5512 109.6001 109.7709 110.2496 110.5230 110.6576 110.8872 111.0479 111.0742 111.5951 111.7701 112.0078 112.7352 112.8629 112.9970 113.0435 113.4810 113.5378 113.7219 113.9569 114.1613 114.3168 114.6319 114.8955 114.9587 115.0405 115.2230 115.4790 115.7708 115.8728 116.3310 116.6042 116.7700 117.2398 117.4562 117.6678 117.7303 118.0578 118.6743 118.6942 118.9638 119.2050 119.7529 120.3358 120.6028 121.0848 121.1353 121.4004 121.5494 121.9595 122.4212 122.5795 122.7893 122.8665 123.1415 123.5874 124.3583 124.9294 126.3278 126.7331 126.8609 127.0189 127.1991 127.3644 127.9128 128.0583 128.3152 128.6812 129.4475 129.6601 129.7933 130.1918 130.3740 131.0414 131.1284 131.7644 132.3741 132.5203 132.5728 132.8651 133.4747 133.8078 134.1469 134.5389 134.5701 135.5623 136.1752 136.5161 136.8557 137.3349 137.9035 138.0429 138.2596 138.7499 139.1504 139.9326 140.2989 140.6846 141.6591 141.8307 141.9776 142.1057 142.2833 142.3912 143.3856 143.6046 143.7913 143.9858 144.2980 144.5788 144.8074 144.8750 145.0223 145.3625 145.5225 145.7879 146.6860 146.8315 146.9723 147.1237 147.4553 147.6795 147.9726 148.1013 148.1357 148.4573 148.5258 148.7696 149.1706 149.2693 149.4058 149.9533 150.2042 150.5341 150.7973 150.8991 151.0128 151.3507 151.7999 152.1576 152.2587 152.5693 153.0640 153.3019 153.3699 154.0544 154.4701 154.9879 155.2031 155.9429 156.2097 156.3825 156.5315 156.5949 157.1615 157.3417 157.4755 157.8424 157.9160 158.5298 158.9534 159.8434 160.3709 160.9718 162.3386 163.1551 164.1066 166.9740 168.5481 171.1709 172.7989 173.8496 176.5371 177.0266 177.5282 177.9381 178.8987 180.9540 182.4343 182.8438 183.6288 186.2431 187.0112 187.4571 188.3991 188.5779 188.8951 189.3507 189.8791 190.4915 191.0434 192.1730 192.5772 193.5872 194.6346 195.5270 195.8828 196.7113 197.5223 200.6717 202.7317 215.7293 225.6573 238.7409 246.0016 248.9266 256.9910 258.9241 260.2542 262.8160 458.7343 537.3390 541.8714 629.0224 630.5199 634.9182 637.5114 640.0124 641.5178 646.1834 646.4196 647.6509 894.2617 1197.2995 1200.0026 1206.8219 -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 S S P O O O N 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 -0.210558 -0.034860 0.729144 -0.324643 -0.516326 -0.359351 -0.139269 -0.116711 0.071659 -0.123703 -0.141421 0.233211 -0.288439 -0.276642 -0.001488 -0.237607 0.119188 0.113616 0.106579 0.097716 0.111490 0.080268 0.071727 0.089174 0.108399 0.092850 0.095577 0.087672 0.086739 0.111959 0.107702 0.076606 0.092067 0.087675 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 S S P O O O N 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 16.2106 16.0349 14.2709 8.3246 8.5163 8.3594 7.1393 6.1167 5.9283 6.1237 6.1414 5.7668 6.2884 6.2766 6.0015 6.2376 0.8808 0.8864 0.8934 0.9023 0.8885 0.9197 0.9283 0.9108 0.8916 0.9071 0.9044 0.9123 0.9133 0.8880 0.8923 0.9234 0.9079 0.9123 16.0000 16.0000 15.0000 8.0000 8.0000 8.0000 7.0000 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 -0.2106 -0.0349 0.7291 -0.3246 -0.5163 -0.3594 -0.1393 -0.1167 0.0717 -0.1237 -0.1414 0.2332 -0.2884 -0.2766 -0.0015 -0.2376 0.1192 0.1136 0.1066 0.0977 0.1115 0.0803 0.0717 0.0892 0.1084 0.0929 0.0956 0.0877 0.0867 0.1120 0.1077 0.0766 0.0921 0.0877 2.2822 2.3649 5.4817 2.1415 2.1131 2.1246 3.0203 3.9593 3.8766 3.9553 3.8766 4.3244 3.9292 3.9382 3.8663 3.9514 1.0052 1.0060 1.0261 1.0030 1.0134 1.0127 1.0225 1.0023 1.0112 1.0029 1.0068 1.0069 1.0044 0.9935 0.9887 1.0086 1.0092 1.0043 2.2822 2.3649 5.4817 2.1415 2.1131 2.1246 3.0203 3.9593 3.8766 3.9553 3.8766 4.3244 3.9292 3.9382 3.8663 3.9514 1.0052 1.0060 1.0261 1.0030 1.0134 1.0127 1.0225 1.0023 1.0112 1.0029 1.0068 1.0069 1.0044 0.9935 0.9887 1.0086 1.0092 1.0043 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 1.1134 0.9478 1.0162 1.1751 1.2251 2.0018 0.9591 0.8610 1.9457 0.8952 1.1239 0.9506 0.9802 0.9994 0.9637 0.9406 0.9968 0.9808 0.9916 0.9181 0.9922 0.9993 0.9838 0.9956 0.9865 0.9861 0.9955 0.9960 0.9768 0.9749 0.9818 0.9853 0.9870 0.9930 0 2 0 8 1 9 1 11 2 3 2 4 2 6 3 14 5 11 6 7 6 11 7 9 7 16 7 17 8 10 8 12 8 18 9 19 9 20 10 13 10 21 10 22 12 23 12 24 12 25 13 26 13 27 13 28 14 15 14 29 14 30 15 31 15 32 15 33 -0.018204515 -1772.204461704122 9.11929 -9.19571 -0.07642 9.70414 -8.89292 0.81122 1.61830 -1.76919 -0.15089 0.82866 2.10629