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:-2.8831,.0796,1.0625;-1.9602,.6257,-2.5476;-2.3327,-.3151,-.4899;1.9004,-1.2795,.4531;.6115,-.9473,-.2872;3.0211,-.2876,.168;-.5124,-1.9292,.0102;4.3161,-.6229,.8981;-1.7959,-1.6387,-.7538;5.4757,.3175,.5811;5.2715,1.7426,1.0753;-2.3417,.7243,-1.388;-2.8722,1.9054,-.7215;-3.185,1.6908,.5652;2.2287,-2.2889,.1814;1.7037,-1.3051,1.5309;.8011,-.9303,-1.3657;.2987,.067,-.0179;2.6829,.7171,.4413;3.2133,-.2591,-.9107;-.7134,-1.9533,1.0867;-.2032,-2.9438,-.2569;4.6101,-1.6464,.643;4.1365,-.6225,1.9794;-2.5585,-2.386,-.5244;-1.6178,-1.686,-1.8279;6.3893,-.0847,1.0281;5.6496,.3263,-.4999;5.0867,1.7644,2.1518;6.1527,2.3571,.8837;4.4274,2.2331,.5881;-2.9865,2.8501,-1.231;-3.5909,2.3969,1.2751; 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 992.1444199962 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 3.696e-05 Time for diagonalization 0.176 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.130 sec Total time needed 0.308 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:-2.8831,.0796,1.0625;-1.9602,.6257,-2.5476;-2.3327,-.3151,-.4899;1.9004,-1.2795,.4531;.6115,-.9473,-.2872;3.0211,-.2876,.168;-.5124,-1.9292,.0102;4.3161,-.6229,.8981;-1.7959,-1.6387,-.7538;5.4757,.3175,.5811;5.2715,1.7426,1.0753;-2.3417,.7243,-1.388;-2.8722,1.9054,-.7215;-3.1851,1.6908,.5652;2.2287,-2.2889,.1814;1.7037,-1.3051,1.5309;.8011,-.9302,-1.3657;.2987,.067,-.0179;2.6829,.7171,.4413;3.2133,-.2591,-.9107;-.7134,-1.9533,1.0867;-.2032,-2.9438,-.2569;4.6101,-1.6464,.643;4.1365,-.6225,1.9794;-2.5585,-2.386,-.5244;-1.6178,-1.686,-1.8279;6.3893,-.0847,1.0281;5.6496,.3263,-.4999;5.0867,1.7644,2.1518;6.1527,2.3571,.8836;4.4274,2.2331,.5881;-2.9865,2.8501,-1.231;-3.5909,2.3969,1.2751; 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 cpcm smd true smdsolvent "1-OCTANOL" 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:-2.8831,.0796,1.0625;-1.9602,.6257,-2.5476;-2.3327,-.3151,-.4899;1.9004,-1.2795,.4531;.6115,-.9473,-.2872;3.0211,-.2876,.168;-.5124,-1.9292,.0102;4.3161,-.6229,.8981;-1.7959,-1.6387,-.7538;5.4757,.3175,.5811;5.2715,1.7426,1.0753;-2.3417,.7243,-1.388;-2.8722,1.9054,-.7215;-3.185,1.6908,.5652;2.2287,-2.2889,.1814;1.7037,-1.3051,1.5309;.8011,-.9303,-1.3657;.2987,.067,-.0179;2.6829,.7171,.4413;3.2133,-.2591,-.9107;-.7134,-1.9533,1.0867;-.2032,-2.9438,-.2569;4.6101,-1.6464,.643;4.1365,-.6225,1.9794;-2.5585,-2.386,-.5244;-1.6178,-1.686,-1.8279;6.3893,-.0847,1.0281;5.6496,.3263,-.4999;5.0867,1.7644,2.1518;6.1527,2.3571,.8837;4.4274,2.2331,.5881;-2.9865,2.8501,-1.231;-3.5909,2.3969,1.2751; Epsilon 9.8629 Refrac 1.0000 Rsolv 1.3000 Surface type GEPOL SES Epsilon function type CPCM S O N C H 2.4900 1.6280 1.8900 1.8500 1.2000 Solvent: 1-OCTANOL Soln 1.4295 Soln25 1.4279 Sola 0.3700 Solb 0.4800 Solg 39.0100 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.3s) GEPOL surface points 1293 GEPOL Volume 1742.2064 GEPOL Surface-area 949.5223 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.1s) Overall time for CPCM initialization 0.4s -958.86583278 992.14442000 -1951.01025278 -3278.81080951 1327.80055673 -0.02073729 -1914.38191388 955.51608110 2.00350570 57.999980704399 57.999980704399 115.999961408799 -75.344530532386 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 -2422.0779 -522.4492 -394.0976 -282.5892 -281.1051 -280.6279 -279.9480 -279.4588 -279.2370 -279.1673 -279.1647 -279.1101 -279.1003 -278.9604 -220.4967 -164.8721 -164.7003 -164.5859 -31.7099 -29.5986 -26.0750 -25.1354 -24.4327 -23.4290 -23.3437 -22.1597 -20.8918 -19.7912 -19.2837 -18.6819 -18.1953 -17.8922 -16.5028 -15.9049 -15.7479 -15.3346 -14.9754 -14.7219 -14.5851 -14.4216 -14.2233 -13.6535 -13.4796 -13.2352 -12.7765 -12.5618 -12.3786 -12.2511 -12.0791 -11.6770 -11.4842 -11.2003 -11.0236 -10.9391 -10.6752 -10.0429 -10.0090 -8.4899 1.0118 1.6878 3.3237 3.5838 3.7809 3.9680 4.0585 4.1626 4.2892 4.4005 4.6824 4.6930 5.0491 5.3111 5.4651 5.5812 5.6378 5.6790 5.8981 6.0113 6.1278 6.3817 6.5997 6.6279 6.8556 6.9903 7.1954 7.3662 7.6050 7.6150 7.8597 8.0766 8.1849 8.5203 8.6048 8.7000 8.7465 9.0636 9.1327 9.1970 9.3654 9.6703 9.9771 10.0827 10.1987 10.3911 10.5242 10.7797 11.0285 11.0799 11.2630 11.4928 11.6341 11.7284 11.8751 12.1054 12.4740 12.6587 12.8165 13.1208 13.2414 13.3009 13.4844 13.5438 13.5562 13.8810 13.9646 14.1448 14.1817 14.2722 14.4090 14.4748 14.6597 14.7369 14.8572 14.9308 15.0007 15.0425 15.2084 15.3021 15.5254 15.6530 15.7907 16.0161 16.1467 16.3363 16.5226 16.6604 16.7499 16.9286 17.4954 17.6205 17.7079 17.9067 18.0526 18.3252 18.6280 18.7640 19.1088 19.1549 19.5854 19.7583 19.9010 20.1237 20.5782 20.6267 20.8532 20.9672 21.2172 21.4260 21.5611 22.1249 22.7691 22.8919 23.2285 23.3157 23.5295 23.6796 23.9239 24.1579 24.2649 24.4514 24.6605 24.8563 25.0939 25.2170 25.4389 25.9493 26.3330 26.4437 26.8089 26.9908 27.1887 27.5432 27.7528 27.9351 28.2584 28.5061 28.7246 28.9093 29.3172 29.3847 29.6850 29.9232 30.3346 30.5926 30.7392 31.0001 31.2377 31.3462 31.5382 31.7502 31.8693 31.9792 32.2404 32.5985 32.7342 32.8175 33.0576 33.1522 33.3756 33.4433 33.7250 33.9337 34.0267 34.4330 34.4911 34.6698 34.8458 35.0372 35.1849 35.1870 35.4917 35.8241 35.8336 36.0762 36.1704 36.4315 37.1219 37.2630 37.5375 37.7849 37.9983 38.1939 38.3962 38.5661 38.9320 39.0934 39.3671 39.4619 39.7222 39.9324 40.1499 40.4115 40.6868 40.8994 41.0257 41.1758 41.3287 41.5003 41.7149 42.0284 42.1586 42.3503 42.4525 42.5001 42.7660 42.9347 42.9957 43.1502 43.2599 43.5582 43.8154 43.8653 44.0225 44.1074 44.2843 44.7201 44.7691 44.9110 45.1430 45.5595 45.7765 45.8380 46.0199 46.3230 46.4988 46.8986 47.1151 47.3081 47.3711 47.6495 47.8881 48.0630 48.3528 48.6793 49.1861 49.2989 49.4274 49.9494 50.0482 50.3800 50.7354 50.8324 51.3855 51.6434 51.8658 52.1284 52.2013 52.4456 52.9438 53.6858 54.6401 55.2156 55.5215 56.1047 56.3172 57.0474 57.3158 57.6438 58.5793 59.1825 59.3250 59.7411 59.9262 60.2798 60.3658 60.7711 61.0306 61.5457 61.6671 61.8808 62.1139 62.1900 62.3889 62.8859 63.4377 63.7535 64.6230 65.0433 65.3825 65.8663 66.7208 67.5549 67.9762 68.2910 68.8508 69.3020 69.4016 69.8706 70.7363 70.9629 71.2078 71.5859 71.7809 72.0570 72.2890 72.4879 72.5639 72.6805 72.8776 73.2369 73.4484 73.7635 74.1578 74.4304 74.6040 75.1896 75.4154 75.6124 75.6819 76.1868 76.2549 76.5105 76.9332 77.2347 77.6396 78.1574 78.7152 79.1226 79.3135 79.6068 79.7887 79.9799 80.2098 80.6723 80.7091 80.8407 80.9976 81.6485 81.7251 81.8717 82.0417 82.2787 82.4409 82.9377 83.0537 83.3072 83.5327 83.8250 84.2482 84.3978 84.5467 85.0210 85.3857 85.6438 85.8348 86.1038 86.3550 86.4995 86.7687 86.7948 87.0971 87.3174 87.3971 87.5104 87.6022 87.6629 87.8570 87.9914 88.3358 88.5902 88.7304 88.9427 89.1549 89.3004 89.5029 89.6435 89.8862 89.9555 90.0930 90.1559 90.4021 90.5093 90.6672 90.8208 90.9636 91.1496 91.2768 91.3656 91.5328 91.7470 91.8966 91.9977 92.1306 92.2901 92.6143 92.8541 93.2303 93.2946 93.7100 94.2037 94.3426 94.9468 95.0946 95.1501 95.6329 95.9905 96.1522 96.7317 97.2496 97.5470 97.7784 97.9705 97.9911 98.2895 99.0088 99.1703 99.4977 99.7285 100.0176 100.4010 100.4554 100.8002 100.9844 101.1265 101.3568 101.5256 101.8979 102.3259 102.4758 102.6266 103.1114 103.1488 103.5041 103.6585 104.0161 104.1363 104.4863 104.7452 104.8207 104.9956 105.0651 105.7783 106.0706 106.4495 106.9414 107.0748 107.3801 107.4636 107.5959 107.7895 107.9385 108.3124 108.4567 108.6117 108.9367 109.1521 109.5647 109.7079 109.8608 110.1589 110.3720 110.7209 110.8921 111.1725 111.2229 111.3699 111.4731 111.9189 112.3295 112.6039 112.6891 112.8028 113.1161 113.4558 113.5515 114.0245 114.1644 114.2864 114.5286 114.6934 114.8791 115.0364 115.0519 115.2290 115.4446 115.6303 116.0313 116.1080 116.3680 116.4015 116.8198 116.9705 117.0613 117.4279 117.8837 118.3200 118.5104 118.6233 118.8263 119.0408 119.2111 119.5574 120.0156 120.1802 120.3664 120.8087 121.0247 121.1912 121.5456 121.5741 121.7443 121.9597 122.0154 122.5241 122.6058 122.8539 123.1569 123.3391 123.7454 124.1284 124.2604 124.7743 125.1131 125.7413 125.9833 126.3357 126.9212 127.2661 127.8172 128.0239 128.3871 128.5873 128.8315 129.3704 129.8949 130.2893 130.3963 130.8933 131.1407 131.3011 131.4671 131.8540 131.9255 132.3929 133.2216 133.8637 134.1427 134.7036 135.0429 135.4224 135.6709 135.9673 136.1906 136.3323 136.5309 136.9233 137.0322 137.4534 138.0210 138.4956 138.7114 139.2036 139.3788 139.6750 139.8774 139.9886 140.2214 140.7247 141.1189 141.3759 141.5281 142.0653 142.4834 142.8548 143.0682 143.7926 144.5219 144.7292 145.0020 145.4538 146.1309 146.4278 146.9134 147.3348 147.8041 148.4618 148.4811 148.9817 149.2461 149.2710 149.7037 150.4006 150.7009 150.8303 151.1580 151.5267 151.7366 152.0371 152.2119 152.7855 153.0344 153.6818 153.7483 153.9661 154.1821 154.3388 154.4715 154.7130 154.8738 155.1158 155.4617 155.7894 156.6682 156.9636 157.5338 157.6990 157.8685 158.3314 158.6489 159.0190 159.4339 159.8698 160.0291 160.2645 160.5284 160.6917 161.5510 162.1405 162.4426 164.8838 167.4969 170.9976 176.9965 177.2996 182.4796 186.5529 187.2530 188.7733 189.1362 190.0176 193.5474 195.7478 197.9313 207.1850 244.8104 260.2117 260.4861 552.8718 617.8763 635.9479 637.0116 638.5339 639.2052 640.0645 640.7865 642.1059 642.6140 643.5815 646.4356 895.8732 1199.5290 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 0.114436 -0.546158 -0.079436 -0.126684 -0.091139 -0.109908 -0.125626 -0.114430 -0.098641 -0.112304 -0.276161 0.308102 -0.262527 -0.065571 0.061760 0.060285 0.069862 0.056203 0.059616 0.058885 0.071576 0.080546 0.067319 0.060305 0.131155 0.104712 0.070258 0.053853 0.078837 0.091059 0.078554 0.158572 0.172688 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 15.8856 8.5462 7.0794 6.1267 6.0911 6.1099 6.1256 6.1144 6.0986 6.1123 6.2762 5.6919 6.2625 6.0656 0.9382 0.9397 0.9301 0.9438 0.9404 0.9411 0.9284 0.9195 0.9327 0.9397 0.8688 0.8953 0.9297 0.9461 0.9212 0.9089 0.9214 0.8414 0.8273 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 0.1144 -0.5462 -0.0794 -0.1267 -0.0911 -0.1099 -0.1256 -0.1144 -0.0986 -0.1123 -0.2762 0.3081 -0.2625 -0.0656 0.0618 0.0603 0.0699 0.0562 0.0596 0.0589 0.0716 0.0805 0.0673 0.0603 0.1312 0.1047 0.0703 0.0539 0.0788 0.0911 0.0786 0.1586 0.1727 2.5582 1.9671 3.0635 3.8972 3.8215 3.8655 3.8534 3.8820 3.8266 3.8985 3.9272 4.2097 3.9156 3.9956 1.0109 1.0087 1.0165 1.0169 1.0082 1.0091 1.0088 1.0202 1.0110 1.0083 1.0015 1.0276 1.0062 1.0082 1.0005 1.0045 0.9991 0.9990 0.9857 2.5582 1.9671 3.0635 3.8972 3.8215 3.8655 3.8534 3.8820 3.8266 3.8985 3.9272 4.2097 3.9156 3.9956 1.0109 1.0087 1.0165 1.0169 1.0082 1.0091 1.0088 1.0202 1.0110 1.0083 1.0015 1.0276 1.0062 1.0082 1.0005 1.0045 0.9991 0.9990 0.9857 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 1.0054 1.2559 1.8255 0.8539 1.1712 0.9301 0.9344 1.0136 1.0079 0.9015 1.0068 1.0037 0.9261 1.0080 1.0028 0.9279 1.0246 0.9967 0.9448 1.0056 1.0116 1.0053 0.9940 0.9336 1.0096 1.0076 0.9915 0.9974 0.9938 1.1141 1.7341 0.9696 0.9373 0 2 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 -0.012499671 -958.878332454516 33.68593 -34.03850 -0.35257 -3.24811 2.97496 -0.27315 4.86122 -2.83219 2.02903 2.07747 5.28051