Orca 5.0.2 RELEASE 1 2 3 4 5 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 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 34 35 36 37 S O N C C C C C 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 2 3 4 4 4 4 4 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 5 230.22089999999992 AuxInfo=1/0/N:9,10,6,7,17,15,16,13,14,4,5,11,12,8,3,2,1/E:(1,2)(3,4)(6,7)(8,9)(10,11)/CRV:5.3,6.3,7.3,8.3,9.3,13.3,14.3,16.1/rA:38nSO1NCCCCC3CCCC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s4;s5;s1s2s3;s6;s7;s1;s11;s12;s12;s13;s14;s15s16;s4;s4;s5;s5;s6;s6;s7;s7;s9;s9;s9;s10;s10;s10;s11;s11;s13;s14;s15;s16;s17;/rC:-.1456,-1.5355,.1469;-.3524,.6945,1.5375;-1.8967,.4694,-.0956;-2.4962,1.7495,.2649;-2.499,-.2712,-1.1892;-1.7083,2.9642,-.2145;-3.8011,-.9776,-.8214;-.8272,.0605,.6231;-1.4813,3.0006,-1.7182;-3.6619,-2.0189,.2774;1.3778,-1.5156,1.1389;2.4972,-.764,.4851;3.1943,-1.3341,-.5767;2.8601,.5049,.922;4.2361,-.6558,-1.1862;3.9053,1.1857,.3132;4.5959,.6089,-.7408;-2.625,1.7985,1.347;-3.4976,1.7667,-.1704;-1.7796,-.9923,-1.5798;-2.6858,.4276,-2.008;-2.2628,3.8541,.0964;-.7522,3.0011,.3082;-4.551,-.2354,-.5323;-4.185,-1.4461,-1.7316;-.9557,3.9094,-2.0105;-.8743,2.1587,-2.0529;-2.4235,2.9775,-2.2702;-3.3047,-1.5774,1.2078;-4.6232,-2.4878,.4873;-2.9614,-2.8062,-.0007;1.1408,-1.1214,2.1253;1.6334,-2.5699,1.2561;2.9163,-2.32,-.9312;2.3166,.9633,1.7373;4.7705,-1.1146,-2.0079;4.179,2.1716,.6657;5.4117,1.1401,-1.2132; 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 1066 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 136 Dim 832 ENuc 1362.7189217611 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 8.020e-06 Time for diagonalization 0.270 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.144 sec Total time needed 0.417 sec 16 8 7 6 6 6 6 6 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 1 230.22089999999992 AuxInfo=1/0/N:9,10,6,7,17,15,16,13,14,4,5,11,12,8,3,2,1/E:(1,2)(3,4)(6,7)(8,9)(10,11)/CRV:5.3,6.3,7.3,8.3,9.3,13.3,14.3,16.1/rA:38nSO1NCCCCC3CCCC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s4;s5;s1s2s3;s6;s7;s1;s11;s12;s12;s13;s14;s15s16;s4;s4;s5;s5;s6;s6;s7;s7;s9;s9;s9;s10;s10;s10;s11;s11;s13;s14;s15;s16;s17;/rC:-.1456,-1.5355,.1469;-.3524,.6945,1.5375;-1.8967,.4694,-.0956;-2.4962,1.7495,.2649;-2.499,-.2712,-1.1892;-1.7083,2.9642,-.2145;-3.8011,-.9776,-.8214;-.8272,.0605,.6231;-1.4813,3.0006,-1.7182;-3.6619,-2.0189,.2774;1.3778,-1.5156,1.1389;2.4972,-.764,.4851;3.1943,-1.3341,-.5767;2.8601,.5049,.922;4.2361,-.6558,-1.1862;3.9053,1.1856,.3132;4.5959,.6089,-.7408;-2.625,1.7985,1.347;-3.4976,1.7667,-.1704;-1.7796,-.9923,-1.5798;-2.6858,.4276,-2.008;-2.2628,3.8541,.0964;-.7522,3.0011,.3082;-4.551,-.2354,-.5323;-4.185,-1.4461,-1.7316;-.9557,3.9094,-2.0105;-.8743,2.1587,-2.0529;-2.4235,2.9775,-2.2702;-3.3047,-1.5774,1.2078;-4.6232,-2.4878,.4873;-2.9614,-2.8062,-.0007;1.1408,-1.1214,2.1253;1.6334,-2.5699,1.2561;2.9163,-2.32,-.9312;2.3166,.9633,1.7373;4.7705,-1.1146,-2.0079;4.179,2.1716,.6657;5.4117,1.1401,-1.2132; 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 4 230.22089999999992 AuxInfo=1/0/N:9,10,6,7,17,15,16,13,14,4,5,11,12,8,3,2,1/E:(1,2)(3,4)(6,7)(8,9)(10,11)/CRV:5.3,6.3,7.3,8.3,9.3,13.3,14.3,16.1/rA:38nSO1NCCCCC3CCCC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s4;s5;s1s2s3;s6;s7;s1;s11;s12;s12;s13;s14;s15s16;s4;s4;s5;s5;s6;s6;s7;s7;s9;s9;s9;s10;s10;s10;s11;s11;s13;s14;s15;s16;s17;/rC:-.1456,-1.5355,.1469;-.3524,.6945,1.5375;-1.8967,.4694,-.0956;-2.4962,1.7495,.2649;-2.499,-.2712,-1.1892;-1.7083,2.9642,-.2145;-3.8011,-.9776,-.8214;-.8272,.0605,.6231;-1.4813,3.0006,-1.7182;-3.6619,-2.0189,.2774;1.3778,-1.5156,1.1389;2.4972,-.764,.4851;3.1943,-1.3341,-.5767;2.8601,.5049,.922;4.2361,-.6558,-1.1862;3.9053,1.1857,.3132;4.5959,.6089,-.7408;-2.625,1.7985,1.347;-3.4976,1.7667,-.1704;-1.7796,-.9923,-1.5798;-2.6858,.4276,-2.008;-2.2628,3.8541,.0964;-.7522,3.0011,.3082;-4.551,-.2354,-.5323;-4.185,-1.4461,-1.7316;-.9557,3.9094,-2.0105;-.8743,2.1587,-2.0529;-2.4235,2.9775,-2.2702;-3.3047,-1.5774,1.2078;-4.6232,-2.4878,.4873;-2.9614,-2.8062,-.0007;1.1408,-1.1214,2.1253;1.6334,-2.5699,1.2561;2.9163,-2.32,-.9312;2.3166,.9633,1.7373;4.7705,-1.1146,-2.0079;4.179,2.1716,.6657;5.4117,1.1401,-1.2132; -1074.40266755 1362.71892176 -2437.12158932 -4173.62150894 1736.49991962 -2144.99166513 1070.58899757 2.00356222 68.000055568787 68.000055568787 136.000111137574 -87.042879588544 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2420.4573 -522.4498 -393.3409 -282.9185 -280.7315 -280.5483 -280.4846 -279.8957 -279.7566 -279.6196 -279.5922 -279.5841 -279.5688 -279.4949 -279.4905 -279.3036 -279.2888 -218.9973 -163.3164 -163.2087 -163.0851 -31.7992 -28.9759 -26.6737 -25.1331 -24.8503 -24.3569 -23.3891 -23.3308 -22.3103 -22.0525 -20.8393 -19.6144 -19.4423 -19.3954 -18.7289 -17.2996 -16.8553 -16.6182 -16.1790 -15.5096 -15.4015 -15.1296 -14.9306 -14.7945 -14.5929 -14.2643 -14.1260 -13.9377 -13.6911 -13.5981 -13.5258 -13.3472 -12.6363 -12.4445 -12.2788 -12.2163 -12.0893 -12.0042 -11.8793 -11.7014 -11.6613 -11.3881 -9.5600 -9.4362 -9.1614 -9.1246 -8.6558 1.6084 1.8826 2.7014 2.9197 2.9624 3.5887 3.7487 3.8131 3.9853 4.1439 4.3450 4.5086 4.5725 4.7366 4.9707 5.0036 5.1637 5.2158 5.3172 5.4477 5.6926 5.7289 5.8160 6.0136 6.1012 6.3002 6.4415 6.6379 6.7846 6.9765 7.0474 7.1794 7.4144 7.6662 7.7282 7.8993 8.1156 8.2506 8.3647 8.4117 8.4479 8.5691 8.7733 8.8367 8.9913 9.0478 9.2186 9.2921 9.3224 9.3480 9.7271 9.9900 10.1497 10.5927 10.7551 10.8626 10.9093 11.0620 11.3614 11.3999 11.7391 11.8533 11.9522 12.1914 12.2722 12.3981 12.6121 12.7031 12.9078 13.0421 13.2334 13.2719 13.3554 13.4612 13.5673 13.6622 13.7478 13.8326 13.8573 13.9821 14.0477 14.1011 14.2859 14.4178 14.5161 14.5588 14.6233 14.6813 14.8763 14.9385 14.9622 15.1380 15.2278 15.2936 15.4377 15.6076 15.6729 15.8765 16.0152 16.1798 16.2743 16.4123 16.5351 16.8071 16.9632 17.0165 17.1197 17.3739 17.7548 17.9072 18.1890 18.2764 18.5669 18.6713 18.9227 19.4000 19.6008 19.8379 20.0612 20.1345 20.2147 20.2712 20.5123 20.8293 20.9109 21.0199 21.2385 21.4344 21.7337 21.9777 22.2681 22.6537 22.8207 23.0002 23.1890 23.3454 23.3904 23.5272 23.6581 23.9998 24.0613 24.2706 24.6778 24.9723 25.0524 25.1813 25.3857 25.5498 25.8478 25.8904 26.2243 26.3208 26.7687 26.9447 27.0650 27.3532 27.4031 27.7058 27.7999 27.8738 28.2269 28.3857 28.6577 28.7631 28.8489 29.1477 29.1874 29.3101 29.4997 29.6017 29.7804 29.9901 30.1483 30.2290 30.4381 30.7064 31.0218 31.1554 31.2094 31.4831 31.5288 31.8269 32.0193 32.0422 32.3481 32.5737 32.7700 32.9004 33.0267 33.0733 33.2771 33.4083 33.7178 33.8756 33.9987 34.0951 34.3473 34.5529 34.7295 34.9052 35.0735 35.1897 35.2654 35.5341 35.5830 35.6948 35.9175 36.0406 36.2818 36.4107 36.6049 37.0075 37.2315 37.5052 37.7534 38.0013 38.2577 38.3060 38.3910 38.6554 38.8389 38.9087 39.0201 39.4608 39.8008 39.9078 40.1750 40.2682 40.5249 40.6217 40.7541 41.0652 41.1670 41.3490 41.4859 41.7199 42.0080 42.1719 42.3847 42.5736 42.6523 42.7202 42.7503 42.9295 43.0477 43.2698 43.4033 43.5295 43.6717 43.8622 44.0279 44.1394 44.3329 44.4115 44.6598 44.8456 44.8905 45.0258 45.2637 45.5882 45.8706 45.9063 46.1097 46.4422 46.6320 46.6503 46.9447 47.3177 47.4378 47.6331 47.7787 47.9780 48.1909 48.4358 48.4759 48.7881 49.0004 49.1188 49.6176 50.0211 50.0804 50.2477 50.3245 50.5160 50.9404 51.1838 51.5891 51.8210 52.1709 52.4340 52.7467 52.9238 53.1035 53.2797 53.4152 53.8908 54.2562 54.6728 55.1979 55.5230 56.1243 56.3154 56.6115 57.0330 57.1756 57.4438 57.9945 58.3294 58.4114 58.7262 59.2004 59.4356 59.5980 59.6896 60.1598 60.3442 60.8390 60.8708 61.3294 61.6369 61.9093 61.9930 62.5966 62.8144 63.2668 63.9341 64.3857 64.7053 65.0747 65.1290 65.4267 66.2065 66.4336 67.0960 67.3648 67.6500 68.0982 68.3578 68.7394 69.0816 69.3618 69.8010 70.0017 70.5357 70.7375 70.9132 71.0359 71.3147 71.6901 72.0680 72.4351 72.7868 72.9404 73.2317 73.5220 73.6414 74.0738 74.1966 74.5056 74.7396 74.8700 75.2861 75.4458 75.5575 76.0691 76.2135 76.5440 76.6204 77.0641 77.3908 77.6471 77.7951 77.9342 78.3397 78.4404 78.7965 79.0274 79.1353 79.2281 79.4918 79.5184 79.7253 79.8261 80.1667 80.4701 80.5559 80.9608 81.1070 81.4817 81.5702 81.6917 81.8341 82.1042 82.1388 82.3761 82.7637 83.0885 83.3687 83.6080 83.6147 83.8681 84.1489 84.3809 84.7364 84.8841 85.0622 85.3500 85.5269 85.7199 85.8583 85.9055 85.9355 86.0393 86.2004 86.2615 86.4351 86.6635 86.7606 86.8527 87.0757 87.2059 87.2948 87.4204 87.6142 87.8880 88.0721 88.2406 88.3849 88.4054 88.5955 88.9212 89.0429 89.0949 89.1920 89.3763 89.6694 89.7585 89.8181 89.9975 90.0244 90.1850 90.3977 90.4727 90.8250 91.1445 91.3616 91.4824 91.8461 92.1350 92.2247 92.5673 92.7550 92.9768 93.1713 93.2985 93.5580 93.8102 93.9122 94.2503 94.3803 94.5940 94.7675 95.0674 95.1549 95.3802 95.5197 95.6248 95.7119 95.9684 96.3861 96.5368 96.9134 96.9342 97.0787 97.1820 97.2377 97.6482 97.9316 98.1199 98.3245 98.6888 98.8236 99.1831 99.2164 99.5060 99.6835 99.7830 99.8683 100.0496 100.4365 100.5117 100.6792 101.0001 101.5844 101.6925 101.8792 101.9869 102.2853 102.4141 102.4890 102.7449 102.9977 103.1028 103.1654 103.2593 103.7186 103.8802 104.1870 104.2995 104.5156 104.5820 104.6386 105.0915 105.5795 105.6907 105.8398 105.9354 106.0658 106.2360 106.3715 106.5126 106.7059 106.9825 107.1069 107.1910 107.4324 107.4468 107.8433 108.0411 108.2074 108.2802 108.7499 108.8271 108.9664 109.3076 109.4438 109.5785 109.6958 110.2197 110.2973 110.3286 110.7685 111.2075 111.2820 111.5105 111.6408 111.7712 111.9906 112.4468 112.6139 112.7272 112.8787 113.1455 113.1757 113.5134 113.6726 114.1727 114.2946 114.6822 114.7796 114.8814 115.0059 115.1157 115.2036 115.3469 115.6040 115.8722 115.9798 116.1581 116.3469 116.6215 116.9094 117.1413 117.6637 117.7582 117.8515 117.9826 118.2314 118.3003 118.3552 118.4982 118.6299 118.9339 119.1053 119.1943 119.3939 119.5158 119.7221 119.8916 120.2088 120.5250 120.5613 120.8069 120.9342 121.0977 121.3777 121.5970 121.9172 122.3414 122.5214 122.7650 122.8919 123.0053 123.7076 124.2186 124.3188 125.1801 125.2549 125.4712 126.2536 126.5671 126.8613 127.0225 127.1775 127.7738 128.1231 128.3450 128.9964 129.0279 129.0759 129.2619 129.3566 129.7621 129.9090 130.3498 130.6108 130.9576 131.1133 131.5306 131.9988 132.1651 132.3045 132.7077 132.8120 133.0873 133.3776 133.6728 133.9281 134.1625 134.8111 134.9619 135.1942 135.3161 135.7186 136.3547 136.5972 136.7866 136.8506 137.0655 137.2151 137.8165 137.9495 138.4838 138.7982 139.2489 139.4751 140.2485 140.4295 140.8359 141.2401 141.4132 142.9444 143.1819 143.4761 143.8617 144.1013 144.2491 144.6101 144.8698 144.9762 145.3606 145.9246 146.1397 146.4661 146.9436 147.3653 147.5246 148.0175 148.2775 148.5716 148.7118 148.7395 148.9885 149.1570 149.5890 149.7755 149.8958 150.3822 150.8102 150.9683 151.1082 151.2139 151.6515 152.0039 152.2265 152.3633 152.5753 152.7719 153.2216 153.2430 153.7088 153.7727 153.8426 154.2834 155.0879 155.2147 155.6634 156.3834 157.0752 157.4375 157.5008 157.7043 158.0044 158.5445 158.6527 159.0066 159.1085 159.1455 159.3924 159.8490 159.9899 160.3468 161.5720 162.9063 164.3313 166.2915 168.1796 168.5560 170.0606 170.5459 171.9295 177.7988 178.4653 181.0005 184.0091 185.1261 188.3035 189.2163 189.8984 191.3381 193.4754 195.9058 198.6274 201.0822 248.5147 258.6213 263.0278 543.9482 618.4335 632.2962 634.4566 635.0862 636.5393 637.1486 638.4934 640.0827 640.7511 641.9667 642.3955 647.2454 647.3420 659.3735 903.4411 1200.0675 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 36 37 S O N C C C C C 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 -0.114486 -0.429118 -0.136455 -0.075918 -0.121726 -0.085109 -0.073552 0.302080 -0.275899 -0.267266 -0.099912 0.048363 -0.184861 -0.140690 -0.117487 -0.118785 -0.136226 0.103524 0.089107 0.104535 0.103631 0.064680 0.081841 0.053630 0.066369 0.092952 0.084108 0.071591 0.086430 0.090336 0.082926 0.125191 0.130975 0.104361 0.123246 0.121768 0.123200 0.122646 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 S O N C C C C C 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 16.1145 8.4291 7.1365 6.0759 6.1217 6.0851 6.0736 5.6979 6.2759 6.2673 6.0999 5.9516 6.1849 6.1407 6.1175 6.1188 6.1362 0.8965 0.9109 0.8955 0.8964 0.9353 0.9182 0.9464 0.9336 0.9070 0.9159 0.9284 0.9136 0.9097 0.9171 0.8748 0.8690 0.8956 0.8768 0.8782 0.8768 0.8774 16.0000 8.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 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 -0.1145 -0.4291 -0.1365 -0.0759 -0.1217 -0.0851 -0.0736 0.3021 -0.2759 -0.2673 -0.0999 0.0484 -0.1849 -0.1407 -0.1175 -0.1188 -0.1362 0.1035 0.0891 0.1045 0.1036 0.0647 0.0818 0.0536 0.0664 0.0930 0.0841 0.0716 0.0864 0.0903 0.0829 0.1252 0.1310 0.1044 0.1232 0.1218 0.1232 0.1226 2.3127 2.0735 3.0904 3.8966 3.9027 3.8309 3.8347 4.2692 3.9363 3.9443 3.8287 3.6054 4.0402 3.9687 3.9595 3.9499 3.9644 1.0174 0.9977 1.0231 1.0005 1.0138 1.0225 1.0117 1.0156 1.0100 1.0010 0.9993 1.0040 1.0075 1.0050 1.0338 1.0017 1.0151 1.0243 1.0007 1.0009 1.0002 2.3127 2.0735 3.0904 3.8966 3.9027 3.8309 3.8347 4.2692 3.9363 3.9443 3.8287 3.6054 4.0402 3.9687 3.9595 3.9499 3.9644 1.0174 0.9977 1.0231 1.0005 1.0138 1.0225 1.0117 1.0156 1.0100 1.0010 0.9993 1.0040 1.0075 1.0050 1.0338 1.0017 1.0151 1.0243 1.0007 1.0009 1.0002 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 1.1394 0.9388 1.8342 0.8665 0.8943 1.2695 0.9404 0.9868 1.0054 0.9442 0.9843 1.0017 0.9235 1.0049 1.0031 0.9264 1.0017 1.0026 0.9954 0.9898 0.9961 0.9889 0.9912 0.9940 0.8680 1.0019 0.9969 1.3745 1.3707 1.4789 0.9767 1.4488 0.9676 1.4182 0.9767 1.4338 0.9775 0.9757 0 7 0 10 1 7 2 3 2 4 2 7 3 5 3 17 3 18 4 6 4 19 4 20 5 8 5 21 5 22 6 9 6 23 6 24 8 25 8 26 8 27 9 28 9 29 9 30 10 11 10 31 10 32 11 12 11 13 12 14 12 33 13 15 13 34 14 16 14 35 15 16 15 36 16 37 -0.017442093 -1074.420109647877 -15.93447 15.25839 -0.67609 6.58307 -6.58408 -0.00101 -6.14695 5.47675 -0.67020 0.95198 2.41973