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:.2106,-1.2153,-1.397;-3.8148,-1.4425,.4469;-.2328,1.687,.3852;.9848,.3493,-.2553;1.7556,-.3302,.9768;2.1072,.8205,-1.3022;-1.1738,-1.7012,-.2909;-2.4718,-1.0304,-.6981;2.7099,-1.3912,.861;2.4414,2.2038,-1.4893;-3.4929,-.2416,1.7749;4.1282,-.8731,.7809;3.291,2.7523,-.3653;-3.9402,1.1683,1.4405;-.9075,-1.4673,.7398;-1.2545,-2.7851,-.3627;-2.782,-1.3712,-1.6865;-2.3457,.0507,-.754;2.5756,-1.9963,1.758;2.4742,-2.0251,.0019;2.9765,2.2357,-2.4376;1.5246,2.7872,-1.5966;-4.0329,-.625,2.6421;-2.4321,-.2581,2.0322;4.3545,-.2106,1.6158;4.823,-1.7124,.822;4.309,-.3365,-.1484;3.5644,3.784,-.5891;2.7476,2.7526,.5793;4.2113,2.1827,-.2398;-3.3958,1.5673,.5855;-5.0045,1.1995,1.2118;-3.7493,1.8356,2.2824; 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 1542.4959660949 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 1.341e-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 0.154 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:.2106,-1.2153,-1.397;-3.8148,-1.4426,.4469;-.2328,1.687,.3852;.9848,.3493,-.2553;1.7556,-.3302,.9768;2.1072,.8205,-1.3022;-1.1738,-1.7012,-.2909;-2.4718,-1.0304,-.6981;2.7099,-1.3912,.861;2.4414,2.2038,-1.4893;-3.4929,-.2416,1.7749;4.1282,-.8731,.7809;3.291,2.7523,-.3653;-3.9402,1.1683,1.4405;-.9075,-1.4673,.7398;-1.2545,-2.7852,-.3627;-2.782,-1.3712,-1.6865;-2.3457,.0507,-.754;2.5756,-1.9963,1.758;2.4742,-2.0251,.0019;2.9765,2.2357,-2.4376;1.5246,2.7872,-1.5966;-4.0329,-.625,2.6421;-2.4321,-.2581,2.0322;4.3545,-.2106,1.6158;4.823,-1.7124,.822;4.309,-.3365,-.1485;3.5644,3.784,-.5891;2.7476,2.7526,.5793;4.2113,2.1827,-.2398;-3.3958,1.5673,.5855;-5.0045,1.1995,1.2118;-3.7493,1.8356,2.2824; 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:.2106,-1.2153,-1.397;-3.8148,-1.4425,.4469;-.2328,1.687,.3852;.9848,.3493,-.2553;1.7556,-.3302,.9768;2.1072,.8205,-1.3022;-1.1738,-1.7012,-.2909;-2.4718,-1.0304,-.6981;2.7099,-1.3912,.861;2.4414,2.2038,-1.4893;-3.4929,-.2416,1.7749;4.1282,-.8731,.7809;3.291,2.7523,-.3653;-3.9402,1.1683,1.4405;-.9075,-1.4673,.7398;-1.2545,-2.7851,-.3627;-2.782,-1.3712,-1.6865;-2.3457,.0507,-.754;2.5756,-1.9963,1.758;2.4742,-2.0251,.0019;2.9765,2.2357,-2.4376;1.5246,2.7872,-1.5966;-4.0329,-.625,2.6421;-2.4321,-.2581,2.0322;4.3545,-.2106,1.6158;4.823,-1.7124,.822;4.309,-.3365,-.1484;3.5644,3.784,-.5891;2.7476,2.7526,.5793;4.2113,2.1827,-.2398;-3.3958,1.5673,.5855;-5.0045,1.1995,1.2118;-3.7493,1.8356,2.2824; -2002.86350932 1542.49596609 -3545.35947541 -5827.97190125 2282.61242584 -4000.75123272 1997.88772340 2.00249052 73.000164942705 73.000164942705 146.000329885411 -120.687036128263 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 -2420.7347 -2419.9833 -2419.2554 -2103.0733 -524.4869 -524.4275 -281.5240 -281.4851 -280.8449 -280.3871 -280.2240 -279.6949 -279.6136 -279.1953 -219.2822 -218.4969 -217.8403 -184.3429 -163.5868 -163.5062 -163.3677 -162.8268 -162.7205 -162.5687 -162.1530 -161.9937 -161.9823 -134.0895 -134.0654 -134.0231 -32.6790 -31.6651 -25.8948 -24.9817 -24.4370 -24.1307 -23.3221 -22.6545 -21.3377 -20.8497 -20.4873 -19.8784 -18.4601 -18.1385 -17.3177 -16.4846 -16.3168 -15.9691 -15.3890 -15.1319 -14.9935 -14.6913 -14.2676 -14.0517 -13.8353 -13.6168 -13.4142 -13.4024 -13.1664 -12.9545 -12.7409 -12.5214 -12.1653 -12.0956 -11.5516 -11.5102 -11.1466 -11.0068 -10.6274 -9.7960 -9.2475 -8.9151 -8.3980 1.7756 2.8509 2.9844 3.1326 3.1985 3.3816 3.4742 3.8294 3.8924 4.1106 4.2226 4.3019 4.4944 4.5735 4.8336 4.9156 5.0628 5.1771 5.2611 5.3000 5.4551 5.6514 5.6956 5.7624 5.8961 6.0859 6.1928 6.2646 6.5573 7.0283 7.1519 7.3914 7.5578 7.7618 7.8412 7.9751 8.1077 8.2179 8.3419 8.4954 8.5930 8.8028 8.9896 9.0225 9.3389 9.4854 9.6048 9.9191 10.0184 10.1677 10.3492 10.4657 10.6769 10.7477 11.0000 11.3303 11.7024 11.8259 11.9376 12.2719 12.3811 12.4965 12.7755 12.8986 12.9633 13.1410 13.2330 13.3911 13.4470 13.6402 13.7045 13.7646 13.9213 14.0240 14.1582 14.2952 14.3407 14.4592 14.6178 14.7230 14.8266 14.8873 14.9334 15.0930 15.2206 15.3286 15.4725 15.4940 15.6513 15.9443 15.9867 16.1153 16.2501 16.4049 16.7145 16.9569 17.1420 17.3738 17.4436 17.6445 17.8132 18.1272 18.3173 18.3934 18.6757 18.8207 18.9783 19.4296 19.4959 19.7851 20.0633 20.3237 20.8732 21.0364 21.2117 21.3381 21.5330 21.7727 22.0522 22.6176 22.8038 23.0548 23.4134 23.6853 23.8358 24.0752 24.1560 24.2143 24.3994 24.7830 25.0190 25.2249 25.5397 25.7177 25.9369 25.9525 26.2691 26.6371 26.8680 27.0266 27.1927 27.3503 27.4680 27.5837 27.7232 28.1218 28.2518 28.4210 28.6129 28.9828 29.0887 29.4345 29.8272 29.9334 29.9400 30.0875 30.2949 30.5204 30.8345 30.9135 31.1156 31.5312 31.5967 31.8682 32.0035 32.1210 32.3127 32.4621 32.5931 32.7651 32.8639 33.3708 33.5641 33.6796 33.8708 33.9475 34.1793 34.2096 34.5271 34.6130 34.8720 35.0416 35.1109 35.4142 35.7021 35.8437 36.1941 36.4095 36.6177 36.9611 36.9968 37.5341 37.9227 38.4243 38.6689 39.1135 39.2441 39.4605 39.7659 39.8203 40.1038 40.1994 40.3580 40.6298 40.7015 40.8935 41.0390 41.2926 41.4836 41.6762 41.9075 41.9919 42.0865 42.1722 42.2844 42.5079 42.6882 42.7551 42.9637 43.2051 43.2924 43.3785 43.5405 43.5806 43.8215 44.0224 44.1532 44.4425 44.6692 44.6960 44.8916 44.9866 45.1595 45.3552 45.5361 45.5622 45.7856 45.9325 46.0648 46.2101 46.4647 46.6358 46.8772 47.0138 47.2359 47.3704 47.4208 47.7865 48.1547 48.3000 48.3431 48.7184 48.9512 48.9987 49.3236 49.4630 49.6008 50.4784 50.7103 50.7885 51.0778 51.5843 51.9471 52.4598 52.9026 53.0512 53.3052 53.5237 53.8811 53.9900 54.2222 54.4366 54.6618 54.8506 55.2042 55.5001 55.8801 56.1163 56.6330 56.9451 57.2749 57.3525 57.6755 58.0554 58.3228 58.7600 59.1490 59.3111 59.5226 59.6795 60.0138 60.1388 60.3440 60.5234 60.9842 61.4029 61.6832 61.8712 62.1472 62.8813 63.4004 64.1651 64.9139 65.0271 65.2243 66.5473 66.7320 67.0166 67.3720 67.5408 67.8514 68.0300 68.4330 68.7176 69.2719 69.7990 70.1740 70.3853 70.6572 70.8191 71.2336 71.5224 71.6495 71.9248 72.1495 72.1752 72.5181 72.8569 73.4467 73.4941 73.5857 73.9260 74.2335 74.5844 74.8519 75.0071 75.2126 75.6434 76.0260 76.1751 76.8201 77.1423 77.7605 77.9791 78.4267 78.6483 78.9945 79.3755 79.4984 79.7642 80.2339 80.3959 80.7013 80.9185 80.9717 81.0641 81.5838 81.7693 82.0431 82.1145 82.3966 82.4993 82.6750 82.8481 82.9581 83.5152 83.7005 83.9846 84.2547 84.5102 84.9743 85.3472 85.4143 85.5909 86.0132 86.0974 86.2836 86.6230 86.6588 86.9234 87.2163 87.3847 87.4921 87.7151 87.9084 88.2216 88.6138 88.9064 88.9943 89.0865 89.4268 89.6076 89.6641 89.9019 89.9814 90.1522 90.1630 90.2126 90.4599 90.6346 90.9686 91.4382 91.5718 91.9717 92.3787 93.1374 93.2378 93.5788 94.0082 94.2944 94.6056 94.7095 95.1089 96.0449 96.6028 97.1865 97.4577 97.5164 97.6749 97.7925 98.1485 98.5436 98.8508 98.9078 99.4625 99.5340 99.7011 99.8547 100.3193 100.3958 100.5595 100.7429 101.0175 101.1261 101.2779 101.6582 101.8585 102.1276 102.4444 102.5986 103.0241 103.2582 103.4075 103.8923 104.1508 104.5535 104.7829 105.0328 105.3462 105.6336 105.9085 105.9993 106.1948 106.5371 106.8253 107.0895 107.3170 107.6611 107.9974 108.4428 108.5783 108.6860 108.7152 109.2043 109.4675 109.7379 109.9918 110.3905 110.5512 110.6183 110.7174 110.9490 111.2542 111.6136 111.7532 111.9637 112.1611 112.3384 112.7902 112.9687 113.2077 113.4305 113.6598 113.6846 113.8851 114.0275 114.3136 114.6095 114.6972 114.7625 115.2513 115.4404 115.5838 115.9730 116.5041 117.3229 117.6007 117.7518 118.4327 118.6036 118.8436 119.0514 119.3881 119.6044 119.7250 120.0447 120.4082 120.8109 120.9479 121.2334 121.6186 121.8231 122.1058 122.5007 122.7976 122.9409 123.1482 124.3540 125.6780 126.0830 126.6048 126.6435 126.7698 126.9075 127.5518 127.8714 128.5509 128.7318 129.1378 129.4464 129.8558 130.0243 130.2177 130.5957 131.5810 132.9454 133.1140 133.3594 133.7496 134.1659 134.4611 134.5942 134.8008 134.8788 135.0261 135.0941 135.7952 135.9751 136.2570 136.8217 137.1128 137.8750 137.9818 138.2955 139.4760 140.5521 140.9657 141.9037 142.1984 142.5905 143.1104 143.2652 143.5209 143.6499 144.4103 144.6532 145.0430 145.8291 146.8028 146.9198 146.9779 147.4203 147.9177 148.0445 148.1164 148.1544 148.1948 148.3915 148.6516 148.8459 149.2450 149.8175 150.0901 150.4252 150.4844 150.6596 150.6956 151.8917 152.0191 152.0823 152.3118 152.6408 152.9685 153.2910 153.3681 153.7608 154.3239 154.5893 155.5922 155.9276 156.0690 156.3064 156.9062 157.1595 157.4829 157.7271 157.9131 158.0921 158.4950 159.9222 162.0581 162.2774 162.9767 165.2709 166.6682 167.8042 171.1668 171.7386 174.4499 177.0771 181.4515 182.8083 185.0869 185.8563 187.2473 187.8003 188.2300 188.3625 188.7279 189.2690 189.3700 189.6400 189.7269 190.1611 191.0407 191.5993 191.8418 192.4734 192.7756 195.0778 197.1605 197.7435 199.5014 199.7130 200.7336 211.7948 218.7096 231.0239 247.1798 247.3660 247.6547 250.1691 256.5795 256.9544 259.5976 261.6006 262.1869 434.1400 526.0929 527.3599 538.6171 631.9536 633.1363 636.1183 636.2356 636.9032 645.6285 646.2680 647.0402 1201.7036 1204.3773 -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 -0.158336 -0.130541 -0.396948 0.616921 -0.300563 -0.345093 -0.125968 -0.131819 0.033971 0.019203 -0.118509 -0.256419 -0.242971 -0.235714 0.098688 0.122383 0.113111 0.098387 0.095471 0.084554 0.098493 0.098064 0.100630 0.081759 0.094212 0.092320 0.077931 0.092190 0.097027 0.078180 0.075310 0.087388 0.086686 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 16.1583 16.1305 16.3969 14.3831 8.3006 8.3451 6.1260 6.1318 5.9660 5.9808 6.1185 6.2564 6.2430 6.2357 0.9013 0.8776 0.8869 0.9016 0.9045 0.9154 0.9015 0.9019 0.8994 0.9182 0.9058 0.9077 0.9221 0.9078 0.9030 0.9218 0.9247 0.9126 0.9133 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 -0.1583 -0.1305 -0.3969 0.6169 -0.3006 -0.3451 -0.1260 -0.1318 0.0340 0.0192 -0.1185 -0.2564 -0.2430 -0.2357 0.0987 0.1224 0.1131 0.0984 0.0955 0.0846 0.0985 0.0981 0.1006 0.0818 0.0942 0.0923 0.0779 0.0922 0.0970 0.0782 0.0753 0.0874 0.0867 2.2784 2.1861 2.0555 5.4156 2.0986 2.0843 3.8922 3.9389 3.8664 3.8734 3.9581 3.9287 3.8999 3.9065 1.0290 1.0191 1.0164 1.0412 0.9895 1.0152 0.9920 1.0161 1.0068 1.0215 1.0009 1.0138 1.0143 1.0138 1.0209 1.0031 1.0102 1.0148 1.0056 2.2784 2.1861 2.0555 5.4156 2.0986 2.0843 3.8922 3.9389 3.8664 3.8734 3.9581 3.9287 3.8999 3.9065 1.0290 1.0191 1.0164 1.0412 0.9895 1.0152 0.9920 1.0161 1.0068 1.0215 1.0009 1.0138 1.0143 1.0138 1.0209 1.0031 1.0102 1.0148 1.0056 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 1.1227 0.9249 1.0053 1.0275 1.8532 1.1702 1.1246 0.8783 0.8759 0.9234 0.9937 0.9781 0.9846 0.9950 0.9608 0.9814 0.9833 0.9575 0.9799 0.9946 0.9423 0.9826 0.9900 0.9885 0.9868 0.9877 0.9856 0.9791 0.9892 0.9892 0.9904 0.9837 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 -0.016231873 -2002.879741190023 6.78340 -5.35676 1.42664 4.74786 -4.91627 -0.16841 6.32900 -6.34556 -0.01655 1.43664 3.65165