Orca 4.2.1 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 S O N 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 1 2 3 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 5 194.18879999999996 AuxInfo=1/0/N:11,10,8,6,4,5,7,13,9,14,12,3,2,1/CRV:8.3,10.3,11.3,13.1/rA:33nSO1NCCCCCCCCC3C3C3HHHHHHHHHHHHHHHHHHH/rB:;s1;;s4;s4;s5;s6;s3s7;s8;s10;s2s3;s12;s1s13;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s11;s13;s14;/rC:-.9903,.9825,.8736;-3.1022,-.2004,-2.0054;-1.7417,-.1157,-.1703;1.5246,-1.9398,.5017;.8667,-1.6149,-.836;3.0242,-1.6475,.533;-.5552,-2.1457,-.9822;3.4085,-.1801,.3603;-1.5767,-1.5492,-.0215;2.9615,.7195,1.5064;3.3746,2.1707,1.3086;-2.5036,.4504,-1.1754;-2.436,1.9041,-1.0245;-1.6773,2.2973,.007;1.3757,-3.0024,.7203;1.027,-1.401,1.3145;1.4725,-2.048,-1.6381;.8755,-.5358,-1.0141;3.5078,-2.2363,-.2527;3.4386,-2.0125,1.478;-.5578,-3.2298,-.8305;-.909,-1.9796,-2.0013;3.0083,.2059,-.5827;4.4969,-.1136,.2657;-1.315,-1.7573,1.0177;-2.5521,-2.0055,-.1956;1.8754,.6707,1.6171;3.3796,.3415,2.4446;3.0632,2.7952,2.1464;4.4574,2.2667,1.2126;2.9289,2.5867,.4033;-2.9606,2.5675,-1.6939;-1.4694,3.3069,.3273; 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 Number of auxiliary basis functions 897 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 116 Dim 711 ENuc 1049.5278284536 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVNR off 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 LIBINT 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 5.716e-05 Time for diagonalization 0.098 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.060 sec Total time needed 0.159 sec 16 8 7 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 1 194.18879999999996 AuxInfo=1/0/N:11,10,8,6,4,5,7,13,9,14,12,3,2,1/CRV:8.3,10.3,11.3,13.1/rA:33nSO1NCCCCCCCCC3C3C3HHHHHHHHHHHHHHHHHHH/rB:;s1;;s4;s4;s5;s6;s3s7;s8;s10;s2s3;s12;s1s13;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s11;s13;s14;/rC:-.9903,.9825,.8736;-3.1022,-.2004,-2.0054;-1.7417,-.1157,-.1703;1.5246,-1.9398,.5017;.8667,-1.6149,-.836;3.0242,-1.6475,.533;-.5552,-2.1457,-.9822;3.4085,-.1801,.3603;-1.5767,-1.5492,-.0215;2.9615,.7195,1.5064;3.3746,2.1707,1.3086;-2.5036,.4504,-1.1754;-2.436,1.9041,-1.0245;-1.6773,2.2973,.007;1.3757,-3.0024,.7203;1.027,-1.401,1.3145;1.4725,-2.048,-1.6381;.8755,-.5358,-1.0141;3.5078,-2.2363,-.2527;3.4386,-2.0125,1.4779;-.5578,-3.2298,-.8305;-.909,-1.9796,-2.0013;3.0083,.2059,-.5827;4.4969,-.1136,.2657;-1.315,-1.7573,1.0177;-2.5521,-2.0055,-.1956;1.8754,.6707,1.6171;3.3796,.3415,2.4446;3.0632,2.7952,2.1464;4.4574,2.2667,1.2126;2.9289,2.5867,.4033;-2.9606,2.5675,-1.6939;-1.4694,3.3069,.3273; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX GRIDX6 NOFINALGRIDX grid4 nofinalgrid scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 8 194.18879999999996 AuxInfo=1/0/N:11,10,8,6,4,5,7,13,9,14,12,3,2,1/CRV:8.3,10.3,11.3,13.1/rA:33nSO1NCCCCCCCCC3C3C3HHHHHHHHHHHHHHHHHHH/rB:;s1;;s4;s4;s5;s6;s3s7;s8;s10;s2s3;s12;s1s13;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s11;s13;s14;/rC:-.9903,.9825,.8736;-3.1022,-.2004,-2.0054;-1.7417,-.1157,-.1703;1.5246,-1.9398,.5017;.8667,-1.6149,-.836;3.0242,-1.6475,.533;-.5552,-2.1457,-.9822;3.4085,-.1801,.3603;-1.5767,-1.5492,-.0215;2.9615,.7195,1.5064;3.3746,2.1707,1.3086;-2.5036,.4504,-1.1754;-2.436,1.9041,-1.0245;-1.6773,2.2973,.007;1.3757,-3.0024,.7203;1.027,-1.401,1.3145;1.4725,-2.048,-1.6381;.8755,-.5358,-1.0141;3.5078,-2.2363,-.2527;3.4386,-2.0125,1.478;-.5578,-3.2298,-.8305;-.909,-1.9796,-2.0013;3.0083,.2059,-.5827;4.4969,-.1136,.2657;-1.315,-1.7573,1.0177;-2.5521,-2.0055,-.1956;1.8754,.6707,1.6171;3.3796,.3415,2.4446;3.0632,2.7952,2.1464;4.4574,2.2667,1.2126;2.9289,2.5867,.4033;-2.9606,2.5675,-1.6939;-1.4694,3.3069,.3273; -958.84392874 1049.52782845 -2008.37175719 -3393.18205319 1384.81029600 -1914.37900646 955.53507772 2.00346283 58.000262675794 58.000262675794 116.000525351588 -75.345874874302 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2422.1674 -522.1505 -394.0141 -282.3830 -281.2794 -280.8572 -280.1048 -279.5777 -279.4949 -279.4838 -279.4357 -279.4064 -279.3661 -279.2493 -220.5828 -164.9555 -164.7926 -164.6699 -31.5600 -29.5130 -26.1985 -25.4152 -24.5790 -23.5757 -23.3873 -22.3534 -21.2117 -19.9045 -19.5676 -19.2613 -18.2601 -17.6729 -16.5487 -16.1695 -15.8896 -15.4868 -15.2207 -14.9130 -14.5904 -14.4278 -14.1304 -14.0382 -13.7783 -13.2940 -13.0144 -12.8466 -12.5690 -12.4617 -12.2073 -11.9388 -11.8047 -11.4764 -11.1430 -10.9904 -10.9573 -10.2127 -9.6212 -8.3597 0.9920 1.4012 2.9639 3.2142 3.3879 3.6743 3.8003 4.0438 4.1301 4.2793 4.5383 4.6059 4.8945 5.0157 5.1362 5.3240 5.3903 5.5895 5.7315 5.8510 6.0931 6.1950 6.3715 6.5502 6.6917 6.8214 6.9186 7.1690 7.4108 7.4558 7.6584 7.8590 8.0248 8.0904 8.2601 8.5382 8.7703 9.0398 9.0817 9.3158 9.3459 9.5559 9.7350 9.9075 10.0269 10.3748 10.4239 10.6645 10.7713 11.0073 11.2967 11.4685 11.7028 11.9983 12.1203 12.3214 12.5171 12.6792 12.7261 12.8529 13.0321 13.0997 13.3453 13.3766 13.5955 13.7611 13.8864 14.0402 14.1105 14.2238 14.3758 14.5614 14.6641 14.7348 14.8409 14.8923 15.0526 15.1801 15.2860 15.2930 15.4310 15.5477 15.6868 15.9515 16.1623 16.2246 16.4288 16.5458 16.8045 17.0153 17.2327 17.3294 17.6674 17.8149 18.1284 18.2886 18.3979 18.5558 18.8399 19.0197 19.4388 19.5229 19.6673 20.1500 20.2959 20.5947 20.6783 21.2445 21.6976 21.7625 21.9865 22.3997 22.7855 22.9705 23.1013 23.1697 23.5212 23.7386 23.9249 24.1131 24.3031 24.5697 24.8307 25.0094 25.2829 25.8072 25.8766 26.2715 26.5518 26.7318 27.1460 27.3390 27.3975 27.5605 27.7036 27.8460 28.0544 28.2433 28.4049 28.7324 29.1753 29.4573 29.7306 29.7942 30.2984 30.4615 30.6630 30.7303 31.0072 31.0679 31.5068 31.6349 31.8254 31.9829 32.0099 32.2141 32.5313 32.6616 32.8119 33.0458 33.2822 33.5208 33.7775 33.8499 34.1017 34.3481 34.4823 34.5010 34.7081 34.7565 35.1054 35.4225 35.6321 35.7435 36.0166 36.1646 36.2442 36.6059 36.7477 37.2462 37.3181 37.4162 37.8369 38.2129 38.4520 38.6407 38.8919 38.9301 39.1104 39.7369 39.8183 39.9449 40.2293 40.4403 40.6684 40.9773 41.0139 41.2224 41.3938 41.4823 41.8346 41.8915 41.8998 42.2414 42.4223 42.5827 42.7743 42.8319 42.9247 43.1515 43.3550 43.6790 43.7838 43.9271 44.2346 44.3618 44.5138 44.6688 44.9931 45.0335 45.1648 45.4999 45.8049 46.2033 46.3598 46.6238 46.7865 47.2379 47.4071 47.4551 47.8565 48.2871 48.4677 48.5924 48.9175 49.1482 49.1839 49.4990 49.8269 50.1325 50.3490 50.7715 51.0724 51.2152 51.8466 51.9180 52.0244 52.5394 53.2959 53.5093 54.1627 54.2806 54.9213 55.5002 55.9270 56.4015 56.6718 57.1518 57.7478 57.9348 58.3420 58.5031 59.0033 59.4968 59.7392 60.0411 60.6148 60.6890 61.0474 61.4206 61.7491 62.1825 62.3361 62.5831 63.0091 63.8751 63.9108 64.1330 64.7520 65.2010 65.7727 66.0775 66.6572 67.8112 68.1689 68.4243 68.5966 69.2890 69.7746 70.1726 70.2767 70.8679 71.2124 71.6095 71.7640 71.9908 72.0729 72.4870 72.5971 72.8054 73.0662 73.1301 73.3232 74.0148 74.1739 74.5589 74.6796 74.9312 74.9795 75.3036 75.7822 76.1399 76.5448 76.5602 76.8073 77.1563 77.3287 77.7530 78.3572 78.8552 79.2218 79.5093 79.6038 79.8640 80.1470 80.4597 80.6746 80.9937 81.2575 81.3199 81.3645 81.8579 81.8853 82.3481 82.5487 82.6483 83.1100 83.2808 83.5538 83.9248 84.3881 84.6053 84.7973 85.2463 85.2813 85.4478 85.9041 86.0503 86.2815 86.4518 86.6614 86.6815 86.9353 86.9464 87.1571 87.3268 87.5444 87.7819 87.8500 88.1491 88.2556 88.3199 88.5652 88.7389 88.9309 88.9894 89.4140 89.5163 89.5576 89.6567 89.7559 90.2409 90.2768 90.5237 90.8199 90.9185 91.0396 91.2450 91.3383 91.5933 91.7007 91.9223 92.2990 92.4676 92.7749 92.9310 93.1347 93.3499 93.6986 94.0269 94.1821 94.4682 94.7015 94.8173 95.0865 95.3860 95.7854 96.0160 96.2915 96.7160 96.7565 97.2311 97.5576 97.5973 97.9638 98.0764 98.6463 98.8532 99.1277 99.7202 99.8730 100.4785 100.8295 101.0607 101.3217 101.3396 101.7028 101.8908 102.0254 102.3360 102.4277 102.6785 102.9935 103.2555 103.3978 103.5949 103.7678 104.0791 104.4096 104.5999 104.8107 104.9284 105.1065 105.3196 105.9886 106.1799 106.4828 106.9374 107.1813 107.4380 107.5899 107.8151 107.9091 108.2805 108.4581 108.6320 108.7471 108.8005 109.2600 109.5002 109.5910 109.8249 110.0400 110.4240 110.9660 111.1970 111.4399 111.5147 111.8218 111.9222 112.0038 112.3638 112.5950 112.6846 112.9546 112.9866 113.4429 113.5060 113.6901 114.0984 114.3283 114.4524 114.6918 114.7655 114.9901 115.2015 115.3197 115.7483 115.7974 116.2067 116.3729 116.5342 116.7156 116.8005 117.0573 117.7436 118.0074 118.1825 118.4002 118.8043 119.0465 119.2737 119.3378 119.5028 119.9331 120.0147 120.5398 120.5883 120.8306 121.3284 121.4217 121.8275 121.8694 122.1014 122.3142 122.7035 122.8616 122.9652 123.1117 123.3468 123.5278 123.9695 124.0197 124.2536 125.7005 126.2310 126.6002 126.9656 127.2270 127.8873 128.2927 128.4636 129.0805 129.2722 129.4205 129.7069 129.8888 130.1670 130.4983 130.8354 131.0051 131.1806 131.3357 131.6747 132.0872 132.9517 133.0971 133.4129 133.8027 133.9911 134.2653 134.8453 135.1327 135.6070 135.7246 136.1785 136.3346 136.5619 136.8802 137.0245 137.7832 138.0458 138.3058 138.4569 138.7729 139.0743 139.3928 139.6744 139.9155 140.3720 140.6617 141.0368 141.5101 141.5441 142.1095 142.8586 143.1740 143.6172 144.2323 144.6820 145.2166 145.9479 146.0305 146.3136 146.4821 147.1259 147.3256 147.5486 147.8512 148.2457 148.7934 149.0485 149.2631 149.5365 150.1657 150.7539 151.0032 151.3418 152.1671 152.5131 152.6826 152.9275 153.0946 153.2203 153.3103 153.8734 153.9468 154.1537 154.4684 154.7777 154.9235 155.3826 155.6350 155.7279 156.0119 156.4937 156.8108 157.4773 157.8397 158.2021 158.6854 159.0159 159.2961 159.6363 159.8826 160.1727 161.0065 161.1720 161.3680 162.1075 162.4815 164.6646 167.6848 172.0892 177.5844 178.4013 183.0690 187.2622 187.4946 189.2669 189.8123 190.5153 193.7318 196.7463 198.3625 206.8553 246.0474 259.7856 260.9740 553.3463 617.5054 636.8365 637.1237 639.0547 639.3703 641.1939 641.8783 642.4291 642.8294 643.8870 645.9892 896.0647 1199.9061 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 O N 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 0.086040 -0.411452 -0.060154 -0.132936 -0.149485 -0.143499 -0.119465 -0.123769 -0.133824 -0.089278 -0.260474 0.275918 -0.245710 -0.055077 0.078162 0.052866 0.080975 0.071538 0.072256 0.071515 0.069078 0.102388 0.063239 0.073484 0.109445 0.115445 0.041903 0.060727 0.083289 0.077028 0.072468 0.135386 0.131974 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 O N 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 15.9140 8.4115 7.0602 6.1329 6.1495 6.1435 6.1195 6.1238 6.1338 6.0893 6.2605 5.7241 6.2457 6.0551 0.9218 0.9471 0.9190 0.9285 0.9277 0.9285 0.9309 0.8976 0.9368 0.9265 0.8906 0.8846 0.9581 0.9393 0.9167 0.9230 0.9275 0.8646 0.8680 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 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 0.0860 -0.4115 -0.0602 -0.1329 -0.1495 -0.1435 -0.1195 -0.1238 -0.1338 -0.0893 -0.2605 0.2759 -0.2457 -0.0551 0.0782 0.0529 0.0810 0.0715 0.0723 0.0715 0.0691 0.1024 0.0632 0.0735 0.1094 0.1154 0.0419 0.0607 0.0833 0.0770 0.0725 0.1354 0.1320 2.5455 2.1149 3.0223 3.8512 3.8681 3.9313 3.8317 3.8648 3.9117 3.8645 3.9486 4.2794 3.9385 3.9881 1.0157 0.9990 1.0137 1.0042 1.0107 1.0102 1.0173 1.0253 1.0071 1.0111 0.9933 1.0201 1.0195 1.0124 1.0048 1.0056 1.0041 1.0069 0.9990 2.5455 2.1149 3.0223 3.8512 3.8681 3.9313 3.8317 3.8648 3.9117 3.8645 3.9486 4.2794 3.9385 3.9881 1.0157 0.9990 1.0137 1.0042 1.0107 1.0102 1.0173 1.0253 1.0071 1.0111 0.9933 1.0201 1.0195 1.0124 1.0048 1.0056 1.0041 1.0069 0.9990 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.9870 0.1092 1.2334 1.9447 0.8696 1.1404 0.9098 0.9377 1.0046 1.0030 0.9364 1.0021 1.0025 0.9360 1.0144 1.0156 0.9141 1.0126 1.0109 0.9336 1.0032 0.9997 1.0069 0.9893 0.9433 1.0015 1.0019 1.0004 0.9964 0.9944 1.1044 1.7475 0.9728 0.9496 0 2 0 12 0 13 1 11 2 8 2 11 3 4 3 5 3 14 3 15 4 6 4 16 4 17 5 7 5 18 5 19 6 8 6 20 6 21 7 9 7 22 7 23 8 24 8 25 9 10 9 26 9 27 10 28 10 29 10 30 11 12 12 13 12 31 13 32 -0.014845001 -958.858773739081 23.84801 -22.97778 0.87024 -5.48548 5.91584 0.43036 4.35270 -3.37891 0.97379 1.37506 3.49512