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:.3424,-.5905,-1.6981;-3.5355,-1.6013,.2264;-.1418,1.9131,.5677;1.0129,.5095,-.043;1.3343,-.5434,1.1164;2.476,.9157,-.5635;-1.4429,-.6761,-1.3154;-1.7676,-1.6076,-.1637;2.1702,-1.6958,.9459;2.7715,2.2206,-1.0803;-3.6682,-.0471,1.1613;3.5545,-1.4591,1.5045;2.1859,2.4567,-2.4536;-3.0302,-.0949,2.5369;-1.914,-1.0218,-2.2357;-1.7867,.3407,-1.1257;-1.2001,-1.3501,.7298;-1.5053,-2.6346,-.4201;1.6714,-2.5025,1.4835;2.2134,-1.9919,-.1055;2.4185,2.9761,-.3752;3.8594,2.2671,-1.108;-3.2551,.7739,.5735;-4.7413,.1336,1.2397;4.1341,-2.3802,1.4364;4.0842,-.6861,.9516;3.5118,-1.1677,2.5532;2.4962,1.6883,-3.1604;1.0975,2.4814,-2.426;2.5307,3.4207,-2.8287;-3.2074,.8425,3.0663;-3.4397,-.9085,3.1334;-1.9501,-.2204,2.4761; 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 1558.2454001680 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 1.543e-04 Time for diagonalization 0.212 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 0.370 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:.3424,-.5905,-1.6981;-3.5355,-1.6013,.2264;-.1418,1.9131,.5677;1.0129,.5095,-.043;1.3343,-.5434,1.1164;2.476,.9157,-.5635;-1.4429,-.6761,-1.3154;-1.7676,-1.6076,-.1637;2.1702,-1.6958,.9459;2.7715,2.2206,-1.0803;-3.6682,-.0471,1.1613;3.5545,-1.4591,1.5045;2.1859,2.4567,-2.4536;-3.0302,-.0949,2.5369;-1.914,-1.0218,-2.2357;-1.7867,.3407,-1.1257;-1.2001,-1.3501,.7298;-1.5053,-2.6346,-.4201;1.6714,-2.5025,1.4835;2.2134,-1.9919,-.1055;2.4185,2.9761,-.3752;3.8594,2.2671,-1.108;-3.2551,.7739,.5735;-4.7413,.1336,1.2397;4.1341,-2.3802,1.4364;4.0842,-.6861,.9516;3.5118,-1.1677,2.5532;2.4962,1.6883,-3.1604;1.0975,2.4814,-2.426;2.5307,3.4207,-2.8287;-3.2074,.8425,3.0663;-3.4397,-.9085,3.1334;-1.9501,-.2204,2.4761; 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:.3424,-.5905,-1.6981;-3.5355,-1.6013,.2264;-.1418,1.9131,.5677;1.0129,.5095,-.043;1.3343,-.5434,1.1164;2.476,.9157,-.5635;-1.4429,-.6761,-1.3154;-1.7676,-1.6076,-.1637;2.1702,-1.6958,.9459;2.7715,2.2206,-1.0803;-3.6682,-.0471,1.1613;3.5545,-1.4591,1.5045;2.1859,2.4567,-2.4536;-3.0302,-.0949,2.5369;-1.914,-1.0218,-2.2357;-1.7867,.3407,-1.1257;-1.2001,-1.3501,.7298;-1.5053,-2.6346,-.4201;1.6714,-2.5025,1.4835;2.2134,-1.9919,-.1055;2.4185,2.9761,-.3752;3.8594,2.2671,-1.108;-3.2551,.7739,.5735;-4.7413,.1336,1.2397;4.1341,-2.3802,1.4364;4.0842,-.6861,.9516;3.5118,-1.1677,2.5532;2.4962,1.6883,-3.1604;1.0975,2.4814,-2.426;2.5307,3.4207,-2.8287;-3.2074,.8425,3.0663;-3.4397,-.9085,3.1334;-1.9501,-.2204,2.4761; -2002.86552978 1558.24540017 -3561.11092995 -5859.42989075 2298.31896081 -4000.75909379 1997.89356401 2.00248860 72.999942133443 72.999942133443 145.999884266886 -120.689979662301 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 -2420.7162 -2420.0321 -2419.3162 -2103.0744 -524.4743 -524.4354 -281.5341 -281.4833 -280.7698 -280.4912 -280.2442 -279.6224 -279.5498 -279.2191 -219.2630 -218.5453 -217.8977 -184.3453 -163.5682 -163.4838 -163.3525 -162.8755 -162.7692 -162.6163 -162.2075 -162.0516 -162.0426 -134.0919 -134.0665 -134.0269 -32.7329 -31.6463 -25.9177 -24.9584 -24.4537 -24.0837 -23.3667 -22.6478 -21.3544 -20.8260 -20.4872 -19.9436 -18.5182 -18.1248 -17.2324 -16.5206 -16.3041 -15.8191 -15.6729 -15.1636 -14.9102 -14.6152 -14.1656 -14.0499 -13.8442 -13.6290 -13.5524 -13.2924 -13.1899 -12.9984 -12.8062 -12.4979 -12.1872 -11.9215 -11.7746 -11.5071 -11.1339 -10.8240 -10.6393 -9.7633 -9.2851 -9.0146 -8.4604 1.8529 2.7578 2.8522 3.0449 3.1641 3.4446 3.5221 3.8393 3.9720 4.0539 4.2347 4.3656 4.4612 4.6536 4.7517 4.9387 4.9939 5.1318 5.2966 5.3551 5.4564 5.6100 5.7269 5.8444 5.9759 6.1273 6.2402 6.4177 6.5620 6.9357 7.0549 7.1756 7.4332 7.6124 7.8231 8.0111 8.0664 8.2182 8.3130 8.4828 8.4971 8.6969 8.9976 9.1215 9.3389 9.5384 9.5918 9.7727 9.8294 9.9932 10.0900 10.2690 10.4658 10.6021 10.8757 11.5269 11.6476 11.8258 12.0759 12.3482 12.6716 12.7535 12.8228 12.9935 13.0666 13.1714 13.2541 13.3845 13.5240 13.6776 13.7578 13.7964 13.8483 14.0138 14.1043 14.2174 14.3948 14.4353 14.5100 14.6382 14.6793 14.7588 14.7952 15.0395 15.1484 15.3001 15.3693 15.4558 15.6289 15.9189 16.0483 16.1195 16.3219 16.5198 16.7838 16.8884 17.0281 17.5156 17.5944 17.8467 17.9590 18.0409 18.1730 18.3846 18.6249 18.8530 18.9931 19.4899 19.6285 19.8321 20.1221 20.4875 20.6928 20.8242 21.0668 21.6015 21.7517 21.8861 22.3564 22.4813 22.9298 23.1643 23.3153 23.6648 23.8114 23.8389 24.2203 24.3462 24.5903 24.7661 25.2554 25.3745 25.7220 25.8403 25.9863 26.0285 26.3088 26.6897 26.8354 27.0111 27.2167 27.2668 27.5486 27.7298 27.7768 27.8770 28.1390 28.2380 28.6008 28.9420 29.0153 29.2375 29.4193 29.7759 29.9566 30.0212 30.2946 30.5367 30.8372 30.9381 31.0414 31.4952 31.5947 31.7542 32.1935 32.2875 32.4327 32.5220 32.7433 32.9633 33.1031 33.2735 33.4749 33.6423 33.8276 33.9359 34.0904 34.2158 34.6158 34.8344 34.9501 35.0444 35.3566 35.5139 35.8604 36.0619 36.1147 36.5816 37.1700 37.3155 37.5735 37.8916 37.9707 38.1895 38.7101 38.8939 39.0823 39.3656 39.7062 39.9976 40.1345 40.3416 40.4225 40.6092 40.7326 40.8124 41.0694 41.1049 41.2458 41.5365 41.6991 41.8692 42.0727 42.1386 42.2676 42.3465 42.5373 42.7014 43.0022 43.0226 43.2480 43.5039 43.5685 43.6850 43.9605 44.1073 44.3187 44.3869 44.5644 44.8603 44.9205 44.9934 45.0931 45.1692 45.5081 45.8156 45.8221 46.1659 46.2230 46.3148 46.4317 46.6666 46.8844 47.2337 47.3549 47.4381 47.7981 48.0289 48.1868 48.4299 48.6772 48.8454 48.9282 49.0143 49.3415 49.7024 49.8897 50.0925 50.5732 50.8470 51.0348 51.4453 51.8581 52.1247 52.5893 52.8518 53.2791 53.3855 53.7880 53.8828 54.2336 54.7728 55.2108 55.3427 55.4542 55.6182 55.6764 56.1336 56.6988 56.9770 57.2108 57.3080 57.5676 57.9012 58.1572 58.7756 58.8013 59.1797 59.3910 59.7955 59.8873 60.2842 60.4211 60.7026 60.7821 61.4734 61.9035 62.5437 62.6527 63.4358 63.8345 64.4361 65.0675 65.3063 65.4988 65.8316 66.1139 66.6404 67.1989 67.2995 68.0534 68.1958 68.5189 69.1787 69.5701 69.8147 70.1772 70.4304 70.7537 70.8531 71.2527 71.4668 71.7881 71.8928 72.3389 72.4343 72.7246 73.3986 73.4579 73.6471 73.8208 73.9712 74.1436 74.3225 74.6854 74.8786 75.2401 75.6661 76.0598 76.1226 76.8552 77.1355 77.8393 77.9323 78.5399 78.6100 78.7609 79.2895 79.3045 79.7636 80.4334 80.5080 80.8148 80.9158 81.0518 81.1571 81.2134 81.3853 81.8838 82.1491 82.3403 82.5785 82.7775 83.0207 83.1619 83.5220 83.7541 83.8016 83.8335 84.9455 85.1651 85.3487 85.6120 85.6988 86.0306 86.1925 86.2495 86.4084 86.6931 86.9325 86.9817 87.1489 87.5885 87.7786 87.8117 88.0953 88.4100 88.6744 89.1227 89.1388 89.4085 89.6037 89.7839 89.8546 90.0264 90.1821 90.3120 90.6736 90.8749 90.9530 91.0902 91.4143 91.8357 91.9481 92.4313 92.9742 93.3393 93.6468 93.7722 94.1671 94.3664 94.7043 95.1966 95.9186 97.0714 97.2391 97.4780 97.5782 97.8252 97.9369 98.3877 98.6013 98.7233 99.2010 99.4096 99.6998 99.8568 100.0047 100.5570 100.5931 100.7223 100.8687 101.0484 101.2132 101.2838 101.6008 101.9161 101.9685 102.4066 102.6945 103.0591 103.3453 103.7146 103.9032 103.9273 104.5689 104.9612 105.0821 105.5209 105.7497 105.8417 106.0638 106.2121 106.3832 107.0151 107.2478 107.5077 107.6878 108.2266 108.3213 108.7074 108.8537 109.0564 109.4972 109.5675 109.7662 109.8587 110.1976 110.5408 110.6127 110.8746 111.1048 111.3462 111.5668 112.0744 112.1223 112.2055 112.6506 112.8164 113.0660 113.3158 113.4297 113.5551 113.6404 113.9595 114.0046 114.3706 114.4149 114.6233 114.7241 114.9243 115.3050 115.5234 115.6803 116.2766 117.1704 117.7730 118.0992 118.2936 118.3965 118.8402 119.2295 119.3287 119.4820 119.6831 119.9856 120.6415 120.7732 120.9989 121.2401 121.7597 122.0245 122.3808 122.6521 122.8312 122.9386 123.0512 124.2920 125.9247 126.1484 126.6793 126.7966 126.8842 127.2836 127.4723 127.9364 128.4414 129.0365 129.1228 129.2739 129.5566 129.9314 130.0476 130.3809 131.6323 132.8870 132.9780 133.2383 133.5789 134.0323 134.5086 134.6347 134.6793 134.8653 135.1571 135.2721 135.8047 136.1703 136.3104 136.9121 137.2162 137.8440 138.1574 138.3124 139.4589 140.7082 141.4304 141.6809 142.1448 142.5679 143.1197 143.5101 143.6575 143.9495 144.4183 144.6587 144.7291 145.8541 146.7285 147.0645 147.2339 147.6512 147.8895 147.9797 148.0095 148.0754 148.1822 148.3080 148.4380 148.9113 149.5782 149.7798 150.1053 150.4399 150.4755 150.6022 150.7993 151.8447 151.9221 152.0773 152.4352 152.6339 153.0273 153.0788 153.6349 153.9005 154.4551 154.5564 155.3488 155.8024 156.3255 156.4086 156.5590 157.4687 157.7472 157.8335 157.8528 158.0589 158.7337 160.6553 161.0761 162.5011 163.5067 166.0700 166.9249 167.2863 170.3987 171.6467 174.3014 178.8831 182.4528 183.3898 184.8514 185.9229 187.0584 187.6972 188.1074 188.6253 188.8666 189.2945 189.3920 189.8362 190.0351 190.2511 190.6914 191.5431 191.8381 192.2666 192.9386 194.9850 196.3989 198.1003 199.5567 199.6942 201.9908 211.4475 219.3918 230.8363 246.8554 247.4878 248.6008 249.5058 255.8904 257.0096 259.7628 260.9775 262.5126 432.3070 525.3933 528.5239 538.8148 632.4234 633.1278 635.8472 636.5801 637.9293 646.1271 646.2771 646.3651 1203.1340 1203.8828 -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 -0.174707 -0.125653 -0.387296 0.623469 -0.318060 -0.337654 -0.099108 -0.145586 0.025080 0.015585 -0.123437 -0.232304 -0.235876 -0.235670 0.120132 0.112161 0.086775 0.113434 0.092288 0.085441 0.095671 0.090700 0.086453 0.102433 0.081373 0.084539 0.088164 0.087176 0.087694 0.087331 0.086839 0.086157 0.076453 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 16.1747 16.1257 16.3873 14.3765 8.3181 8.3377 6.0991 6.1456 5.9749 5.9844 6.1234 6.2323 6.2359 6.2357 0.8799 0.8878 0.9132 0.8866 0.9077 0.9146 0.9043 0.9093 0.9135 0.8976 0.9186 0.9155 0.9118 0.9128 0.9123 0.9127 0.9132 0.9138 0.9235 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 -0.1747 -0.1257 -0.3873 0.6235 -0.3181 -0.3377 -0.0991 -0.1456 0.0251 0.0156 -0.1234 -0.2323 -0.2359 -0.2357 0.1201 0.1122 0.0868 0.1134 0.0923 0.0854 0.0957 0.0907 0.0865 0.1024 0.0814 0.0845 0.0882 0.0872 0.0877 0.0873 0.0868 0.0862 0.0765 2.2773 2.2005 2.0646 5.4156 2.1096 2.1054 3.8501 3.9822 3.8781 3.9004 3.9695 3.9494 3.8830 3.9006 1.0159 1.0406 1.0318 1.0158 0.9893 1.0121 1.0105 0.9906 1.0154 1.0043 1.0093 1.0146 1.0051 1.0054 1.0211 1.0138 1.0060 1.0154 1.0164 2.2773 2.2005 2.0646 5.4156 2.1096 2.1054 3.8501 3.9822 3.8781 3.9004 3.9695 3.9494 3.8830 3.9006 1.0159 1.0406 1.0318 1.0158 0.9893 1.0121 1.0105 0.9906 1.0154 1.0043 1.0093 1.0146 1.0051 1.0054 1.0211 1.0138 1.0060 1.0154 1.0164 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 1.1011 0.9390 1.0239 1.0352 1.8610 1.1738 1.1303 0.8655 0.8955 0.9186 0.9737 0.9906 1.0054 0.9822 0.9726 0.9800 0.9800 0.9542 1.0004 0.9797 0.9424 0.9910 0.9805 0.9874 0.9872 0.9884 0.9867 0.9817 0.9838 0.9826 0.9901 0.9866 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 -0.016514745 -2002.882044523859 3.97000 -2.85678 1.11322 -0.50856 0.30792 -0.20064 3.93485 -4.26781 -0.33296 1.17914 2.99714