Orca 5.0.2 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 33 34 35 S S S P O O 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 H H H 1 1 1 2 3 3 4 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 5 5 267.2638609999999 AuxInfo=1/0/N:14,15,8,9,10,12,13,11,7,5,6,4,3,1,2/E:(1,2)(3,4,5)(6,7)(10,11)/CRV:12.4,13.1/rA:36nSSS1P4OOCCCCCCCCCHHHHHHHHHHHHHHHHHHHHH/rB:;;s2s3;s4;s4;s1;s7;s7;s7;s1s2;s5;s6;s12;s13;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s15;s15;s15;/rC:2.4706,-1.7261,.4064;-.2524,-.6173,1.0295;-.7953,1.1407,-1.8337;-1.5516,.4848,-.1964;-2.8653,-.3824,-.4381;-2.0722,1.5545,.8828;3.3796,-.2505,-.2205;2.737,1.0494,.2445;4.7701,-.4006,.3939;3.4724,-.2922,-1.7408;.7979,-1.4838,-.1972;-3.5442,-1.0825,.6146;-1.2238,2.6327,1.3058;-3.4072,-2.5737,.419;-1.5683,3.9094,.576;3.3657,1.8921,-.0543;1.7561,1.2054,-.2058;2.6257,1.0736,1.3282;4.7338,-.3657,1.483;5.4095,.416,.0537;5.2445,-1.3374,.0976;3.9401,-1.214,-2.0853;2.4934,-.2078,-2.2144;4.0706,.5485,-2.1004;.7803,-.9231,-1.1332;.3729,-2.468,-.385;-3.1649,-.7904,1.5967;-4.5883,-.7715,.5646;-1.3848,2.7343,2.3796;-.1708,2.373,1.1589;-2.3679,-2.8874,.5142;-3.9853,-3.0993,1.1796;-3.7769,-2.8819,-.5582;-2.6159,4.1745,.7152;-.9596,4.7268,.9643;-1.3712,3.8161,-.4906; 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 974 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 154 Dim 803 ENuc 1707.2266325792 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 1.405e-04 Time for diagonalization 0.299 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.134 sec Total time needed 0.437 sec 16 16 16 15 8 8 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 1 1 1 267.2638609999999 AuxInfo=1/0/N:14,15,8,9,10,12,13,11,7,5,6,4,3,1,2/E:(1,2)(3,4,5)(6,7)(10,11)/CRV:12.4,13.1/rA:36nSSS1P4OOCCCCCCCCCHHHHHHHHHHHHHHHHHHHHH/rB:;;s2s3;s4;s4;s1;s7;s7;s7;s1s2;s5;s6;s12;s13;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s15;s15;s15;/rC:2.4706,-1.7261,.4064;-.2524,-.6173,1.0295;-.7953,1.1407,-1.8337;-1.5516,.4848,-.1964;-2.8653,-.3824,-.4381;-2.0722,1.5545,.8828;3.3796,-.2505,-.2205;2.737,1.0494,.2445;4.7701,-.4006,.3939;3.4724,-.2922,-1.7408;.7979,-1.4838,-.1972;-3.5442,-1.0825,.6146;-1.2238,2.6327,1.3058;-3.4072,-2.5737,.419;-1.5683,3.9094,.576;3.3657,1.8921,-.0543;1.7561,1.2054,-.2058;2.6257,1.0736,1.3282;4.7338,-.3657,1.483;5.4095,.416,.0537;5.2445,-1.3374,.0976;3.9401,-1.214,-2.0853;2.4934,-.2078,-2.2144;4.0706,.5485,-2.1004;.7803,-.9231,-1.1332;.3729,-2.468,-.385;-3.1649,-.7904,1.5967;-4.5883,-.7715,.5646;-1.3848,2.7343,2.3796;-.1708,2.373,1.1589;-2.3679,-2.8874,.5142;-3.9853,-3.0993,1.1796;-3.7769,-2.8819,-.5582;-2.6159,4.1745,.7152;-.9596,4.7268,.9643;-1.3712,3.8161,-.4906; 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 4 267.2638609999999 AuxInfo=1/0/N:14,15,8,9,10,12,13,11,7,5,6,4,3,1,2/E:(1,2)(3,4,5)(6,7)(10,11)/CRV:12.4,13.1/rA:36nSSS1P4OOCCCCCCCCCHHHHHHHHHHHHHHHHHHHHH/rB:;;s2s3;s4;s4;s1;s7;s7;s7;s1s2;s5;s6;s12;s13;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s15;s15;s15;/rC:2.4706,-1.7261,.4064;-.2524,-.6173,1.0295;-.7953,1.1407,-1.8337;-1.5516,.4848,-.1964;-2.8653,-.3824,-.4381;-2.0722,1.5545,.8828;3.3796,-.2505,-.2205;2.737,1.0494,.2445;4.7701,-.4006,.3939;3.4724,-.2922,-1.7408;.7979,-1.4838,-.1972;-3.5442,-1.0825,.6146;-1.2238,2.6327,1.3058;-3.4072,-2.5737,.419;-1.5683,3.9094,.576;3.3657,1.8921,-.0543;1.7561,1.2054,-.2058;2.6257,1.0736,1.3282;4.7338,-.3657,1.483;5.4095,.416,.0537;5.2445,-1.3374,.0976;3.9401,-1.214,-2.0853;2.4934,-.2078,-2.2144;4.0706,.5485,-2.1004;.7803,-.9231,-1.1332;.3729,-2.468,-.385;-3.1649,-.7904,1.5967;-4.5883,-.7715,.5646;-1.3848,2.7343,2.3796;-.1708,2.373,1.1589;-2.3679,-2.8874,.5142;-3.9853,-3.0993,1.1796;-3.7769,-2.8819,-.5582;-2.6159,4.1745,.7152;-.9596,4.7268,.9643;-1.3712,3.8161,-.4906; -2042.18069509 1707.22663258 -3749.40732767 -6209.08606637 2459.67873870 -4079.17309678 2036.99240169 2.00254704 77.000123048345 77.000123048345 154.000246096690 -124.863351767697 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2420.7177 -2420.2652 -2419.2735 -2103.0342 -524.4386 -524.4077 -281.5189 -281.4756 -281.3554 -280.9227 -279.6342 -279.5155 -279.4714 -279.3906 -279.3235 -219.2650 -218.7872 -217.8557 -184.3038 -163.5680 -163.4886 -163.3516 -163.1206 -163.0097 -162.8525 -162.1657 -162.0093 -162.0004 -134.0486 -134.0315 -133.9811 -32.7307 -31.6167 -26.2941 -25.2247 -24.5647 -24.0201 -23.1894 -22.2233 -22.0543 -21.9467 -20.7332 -20.4490 -20.0706 -18.3158 -17.5292 -17.2731 -16.4078 -16.1306 -15.9783 -15.4894 -15.1816 -14.9656 -14.8350 -14.5700 -14.3632 -13.9404 -13.6528 -13.5482 -13.3890 -13.2866 -13.1547 -12.8850 -12.6644 -12.4737 -12.1955 -11.9999 -11.9299 -11.7678 -11.7523 -11.3163 -10.8859 -10.5626 -9.7298 -9.1710 -8.9885 -8.6626 1.7766 2.5333 2.9149 2.9817 3.0925 3.2603 3.3798 3.5934 3.9638 4.1195 4.2648 4.4665 4.5321 4.6740 4.7313 4.9264 4.9490 5.0369 5.1156 5.2898 5.3572 5.4463 5.5965 5.8685 5.9951 6.1008 6.2160 6.2423 6.3344 6.5118 6.6098 6.7345 6.8100 7.1078 7.1792 7.3802 7.5776 7.6651 7.9310 8.0470 8.3163 8.4982 8.5551 8.6990 8.7858 8.8458 8.9917 9.2013 9.3410 9.5999 9.8801 9.9163 9.9742 10.0998 10.3145 10.7108 10.7895 11.0286 11.1938 11.3082 11.5952 11.7716 11.9633 12.1769 12.3504 12.4347 12.6353 12.8237 12.8783 13.0950 13.1859 13.2209 13.4455 13.5586 13.7078 13.7624 13.8476 13.8880 14.0587 14.3065 14.3340 14.4682 14.5344 14.6305 14.7279 14.8069 14.8599 14.9571 15.0018 15.0731 15.2744 15.3566 15.5395 15.8164 15.8645 15.9941 16.1277 16.2374 16.3615 16.6993 16.8578 16.8798 17.0290 17.0713 17.4841 17.6068 17.6821 17.7974 18.0373 18.2395 18.3574 18.6882 19.1352 19.3429 19.3684 19.6375 19.8269 20.2196 20.6036 20.7600 20.9823 21.0867 21.2820 21.5922 21.8043 21.9977 22.2601 22.4049 22.4568 22.8717 23.0512 23.1736 23.4008 23.6209 23.7797 23.8871 24.1370 24.3779 24.5380 24.6606 24.8792 24.9664 25.1948 25.5402 26.0076 26.1206 26.3278 26.6032 26.7194 26.8348 27.0498 27.1911 27.3499 27.5106 27.7592 27.9452 28.1247 28.2011 28.3367 28.7743 28.7936 29.0223 29.2500 29.5886 29.6736 29.8036 29.8647 30.0037 30.3316 30.5660 30.7761 31.0071 31.2676 31.3966 31.5833 31.8768 31.9353 32.1286 32.2544 32.4738 32.6035 32.8057 32.9178 33.2923 33.3243 33.4215 33.7415 33.7826 34.0338 34.3930 34.5374 34.5992 34.7338 34.9434 35.1277 35.2468 35.3703 35.4906 35.8591 36.3027 36.5666 36.7059 36.9812 37.1332 37.4453 37.5294 37.8784 37.9646 38.2059 38.5029 38.6544 39.0689 39.2212 39.3635 39.7723 39.9635 40.2999 40.3850 40.6169 40.8083 40.8355 40.8521 41.1955 41.2677 41.3402 41.4526 41.6296 41.7368 41.8370 42.0291 42.2612 42.3595 42.4291 42.7356 42.9251 42.9483 43.1422 43.3109 43.4615 43.5830 43.6765 43.8600 44.0818 44.1678 44.2567 44.4191 44.6337 44.8588 45.0816 45.1533 45.3186 45.5106 45.6370 45.8510 45.8986 46.1335 46.1614 46.3146 46.5206 46.6732 46.8268 46.9612 47.2617 47.3706 47.7492 47.9268 48.0456 48.2798 48.4182 48.7958 49.0334 49.1776 49.6325 49.6873 50.1058 50.1711 50.7828 50.8975 51.0035 51.2828 51.5574 51.7691 52.0397 52.4706 53.0044 53.2170 53.2385 53.4194 53.9018 54.0568 54.4728 54.6128 54.9234 55.2247 55.3980 55.7771 55.9891 56.0509 56.5245 56.6590 56.8227 57.1147 57.6581 57.8819 58.1256 58.5343 58.9009 59.0515 59.1471 59.4353 59.6656 59.9004 60.1676 60.5291 60.7764 60.9402 61.4841 61.9148 62.1357 62.6435 63.0304 63.3854 63.7183 64.0817 64.1941 64.7063 64.9146 65.3581 65.5766 66.1641 66.4905 66.7770 67.2712 67.7402 68.1737 68.6752 69.0107 69.1897 69.9090 70.2495 70.3507 70.7395 71.0453 71.2242 71.2903 71.5551 71.7308 71.8743 72.0566 72.2847 72.5151 72.6622 72.8444 73.0992 73.5599 73.9463 74.3397 74.8638 75.0255 75.3618 75.5490 75.8019 76.4380 76.8610 77.0531 77.4103 77.6362 77.7263 78.1217 78.4069 78.7854 78.9133 79.0164 79.1090 79.3809 79.6064 79.8190 80.1021 80.3261 80.6637 80.8725 81.0046 81.2914 81.3325 81.6636 81.9086 82.1499 82.4590 82.7645 82.9436 83.0601 83.4919 83.8531 84.0441 84.2529 84.3881 84.5592 84.9131 85.1913 85.3136 85.4875 85.5987 85.8385 85.9394 86.0782 86.1959 86.3383 86.3947 86.7341 86.8763 87.0367 87.3675 87.6698 87.9898 88.1466 88.2928 88.5074 88.7695 89.1484 89.2417 89.4054 89.6567 89.9126 89.9840 90.1834 90.3468 90.7038 91.3657 91.6605 92.1194 92.3190 92.4490 92.5338 92.7394 93.0874 93.2280 93.2828 93.5170 93.5810 93.6619 93.8861 94.3089 94.6556 94.8347 95.3276 95.4703 95.7124 96.4607 96.9865 97.0419 97.3933 97.5074 97.5915 97.6895 98.0555 98.2892 98.5275 98.8592 99.0536 99.2654 99.4374 99.6807 100.0938 100.3058 100.4434 100.5895 100.6475 100.9675 101.0000 101.3772 101.4080 101.5597 101.8313 102.0377 102.2393 102.6836 103.2992 103.5324 103.7788 104.1888 104.2105 104.6478 104.7617 104.9450 105.1361 105.3515 105.4675 105.8665 105.9731 106.1673 106.9098 107.0201 107.1667 107.5539 107.6684 107.8252 108.1654 108.4655 108.8137 109.0332 109.5709 109.7562 109.9209 110.0580 110.5299 110.6062 110.7551 111.1757 111.3325 111.4642 111.5888 112.2261 112.4351 112.5413 112.6366 112.7543 112.9928 113.5751 113.6592 113.7113 113.8789 114.0482 114.1744 114.3417 114.4221 114.5860 114.6694 114.7510 114.8144 115.8434 116.2309 116.2745 116.4121 116.6352 116.8009 117.1777 117.4171 117.5995 117.7362 118.0073 118.1584 118.2923 118.5058 118.8682 119.2746 119.6126 119.7210 120.0941 120.9189 121.0908 121.3738 121.8125 122.0810 122.2856 122.5257 122.5989 122.7557 122.9163 123.7741 124.2703 125.7228 125.9659 126.1843 126.8952 126.9877 127.3482 127.8926 128.5332 128.5683 128.8905 128.9666 129.1034 129.1939 129.4073 129.5845 129.8389 130.1685 131.3609 131.7047 132.1180 132.6021 132.7427 132.8624 132.9531 133.0666 133.3369 133.5627 133.8331 134.1763 134.3945 134.5183 134.5839 134.7909 134.9889 135.2157 135.8723 136.0254 138.0149 138.1864 138.5935 141.1553 141.4764 142.1637 142.4273 142.4709 142.5243 143.0378 143.2218 143.3922 143.5112 144.1219 144.5330 144.7376 144.8313 145.1805 145.3692 145.4868 146.2964 146.7604 147.0732 147.2370 147.2846 147.5509 147.9280 147.9506 148.0862 148.1961 148.3837 148.5560 148.6799 148.9759 149.1005 149.3811 149.8674 149.9334 150.0727 150.2850 150.4426 150.5731 150.7746 151.7933 151.9548 153.4609 153.5769 153.6731 153.9735 154.2137 154.7030 155.0745 155.5854 155.7844 156.1663 156.3229 156.4056 156.5400 157.3266 157.7359 157.7874 157.9889 158.3519 158.8309 159.6201 159.9051 160.3813 161.5888 162.2986 163.7515 166.6530 167.0559 168.1732 168.4037 171.0147 173.9957 179.4297 181.9084 182.9927 185.7567 186.0464 187.2730 187.9702 188.2963 188.7242 189.2231 189.7505 189.8448 190.2458 190.5300 190.9862 191.1960 191.8367 192.1622 193.3561 193.5779 195.0888 196.2186 197.5449 198.2816 200.1850 202.7153 211.2439 219.8161 230.6365 247.5649 247.7603 248.2497 250.2110 255.6853 257.7879 259.9402 261.6136 263.9397 431.7800 525.0327 531.9368 542.0440 620.1209 628.7285 636.4343 637.0954 645.6552 646.0823 646.2713 646.4740 650.7345 1202.9228 1203.3596 -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 34 35 S S S P O O 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 H H H -0.122685 -0.169803 -0.381526 0.633618 -0.308892 -0.328239 0.148610 -0.280001 -0.278634 -0.298435 -0.115989 0.013153 0.027163 -0.213254 -0.221624 0.091113 0.045981 0.100573 0.103906 0.085021 0.102873 0.097606 0.098347 0.086582 0.101266 0.142276 0.079753 0.096431 0.096916 0.075225 0.068821 0.080734 0.092952 0.084811 0.077456 0.087897 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 S S S P O O 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 H H H 16.1227 16.1698 16.3815 14.3664 8.3089 8.3282 5.8514 6.2800 6.2786 6.2984 6.1160 5.9868 5.9728 6.2133 6.2216 0.9089 0.9540 0.8994 0.8961 0.9150 0.8971 0.9024 0.9017 0.9134 0.8987 0.8577 0.9202 0.9036 0.9031 0.9248 0.9312 0.9193 0.9070 0.9152 0.9225 0.9121 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 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 1.0000 1.0000 -0.1227 -0.1698 -0.3815 0.6336 -0.3089 -0.3282 0.1486 -0.2800 -0.2786 -0.2984 -0.1160 0.0132 0.0272 -0.2133 -0.2216 0.0911 0.0460 0.1006 0.1039 0.0850 0.1029 0.0976 0.0983 0.0866 0.1013 0.1423 0.0798 0.0964 0.0969 0.0752 0.0688 0.0807 0.0930 0.0848 0.0775 0.0879 2.2564 2.2834 2.0605 5.4249 2.1496 2.0930 3.9531 3.8905 3.8710 3.9471 3.9844 3.9259 3.9170 3.9211 3.9241 1.0146 1.0547 1.0120 1.0132 1.0067 1.0124 1.0148 1.0052 1.0061 1.0739 0.9995 1.0019 0.9956 0.9943 0.9955 1.0156 1.0123 1.0042 1.0067 1.0102 1.0256 2.2564 2.2834 2.0605 5.4249 2.1496 2.0930 3.9531 3.8905 3.8710 3.9471 3.9844 3.9259 3.9170 3.9211 3.9241 1.0146 1.0547 1.0120 1.0132 1.0067 1.0124 1.0148 1.0052 1.0061 1.0739 0.9995 1.0019 0.9956 0.9943 0.9955 1.0156 1.0123 1.0042 1.0067 1.0102 1.0256 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 1.0190 1.0709 1.0758 0.9675 1.8217 1.2256 1.1427 0.8692 0.8625 0.9610 0.9437 0.9716 0.9843 0.9782 0.9932 0.9910 0.9782 0.9899 0.9914 0.9822 0.9796 0.9554 0.9682 0.9733 0.9884 0.9812 0.9814 0.9840 0.9847 0.9786 0.9879 0.9884 0.9899 0.9854 0.9771 0 6 0 10 1 3 1 10 2 3 3 4 3 5 4 11 5 12 6 7 6 8 6 9 7 15 7 16 7 17 8 18 8 19 8 20 9 21 9 22 9 23 10 24 10 25 11 13 11 26 11 27 12 14 12 28 12 29 13 30 13 31 13 32 14 33 14 34 14 35 -0.018223578 -2042.198918666234 11.42064 -11.50966 -0.08902 4.00063 -3.88846 0.11217 2.31690 -1.50043 0.81647 0.82893 2.10698