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:-2.3274,1.7692,.2523;-3.3411,-1.6872,-.8414;-2.1584,.115,-.0681;2.2582,-.6654,.137;1.3818,-.9492,-1.079;3.6027,-1.3798,.0592;.0688,-.174,-1.1163;4.4639,-1.239,1.3118;-.8593,-.5234,.0396;4.8694,.1882,1.6726;5.6847,.8886,.5954;-3.2947,-.5044,-.5269;-4.3708,.4755,-.5661;-3.9837,1.7014,-.1823;1.7476,-.9764,1.0545;2.408,.416,.2239;1.1701,-2.0225,-1.1334;1.9449,-.7078,-1.9855;4.1528,-1.025,-.8185;3.4253,-2.4459,-.1167;-.4491,-.3882,-2.0551;.2781,.9008,-1.1136;5.3702,-1.8401,1.1834;3.9293,-1.6802,2.1595;-.4218,-.2531,1.0027;-1.0427,-1.5981,.0688;3.9823,.7848,1.905;5.4531,.1565,2.5971;6.0232,1.8698,.9328;6.5728,.3101,.3306;5.1115,1.0449,-.3201;-5.3703,.2191,-.8827;-4.5833,2.5981,-.1254; 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 980.4955858943 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 5.201e-05 Time for diagonalization 0.167 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.116 sec Total time needed 0.285 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:-2.3274,1.7692,.2523;-3.3411,-1.6872,-.8414;-2.1584,.115,-.0681;2.2582,-.6654,.137;1.3818,-.9492,-1.079;3.6027,-1.3798,.0592;.0688,-.174,-1.1163;4.4639,-1.239,1.3118;-.8593,-.5234,.0396;4.8694,.1882,1.6726;5.6847,.8886,.5954;-3.2947,-.5044,-.5269;-4.3708,.4755,-.5661;-3.9837,1.7014,-.1823;1.7476,-.9764,1.0545;2.408,.416,.2239;1.1701,-2.0225,-1.1334;1.9449,-.7078,-1.9855;4.1528,-1.025,-.8185;3.4253,-2.4459,-.1167;-.4491,-.3882,-2.0551;.2781,.9008,-1.1136;5.3702,-1.8401,1.1834;3.9293,-1.6802,2.1595;-.4218,-.2531,1.0027;-1.0427,-1.5981,.0688;3.9823,.7848,1.905;5.4531,.1565,2.5971;6.0232,1.8698,.9328;6.5728,.3101,.3306;5.1115,1.0449,-.3201;-5.3703,.2191,-.8827;-4.5833,2.5981,-.1254; 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:-2.3274,1.7692,.2523;-3.3411,-1.6872,-.8414;-2.1584,.115,-.0681;2.2582,-.6654,.137;1.3818,-.9492,-1.079;3.6027,-1.3798,.0592;.0688,-.174,-1.1163;4.4639,-1.239,1.3118;-.8593,-.5234,.0396;4.8694,.1882,1.6726;5.6847,.8886,.5954;-3.2947,-.5044,-.5269;-4.3708,.4755,-.5661;-3.9837,1.7014,-.1823;1.7476,-.9764,1.0545;2.408,.416,.2239;1.1701,-2.0225,-1.1334;1.9449,-.7078,-1.9855;4.1528,-1.025,-.8185;3.4253,-2.4459,-.1167;-.4491,-.3882,-2.0551;.2781,.9008,-1.1136;5.3702,-1.8401,1.1834;3.9293,-1.6802,2.1595;-.4218,-.2531,1.0027;-1.0427,-1.5981,.0688;3.9823,.7848,1.905;5.4531,.1565,2.5971;6.0232,1.8698,.9328;6.5728,.3101,.3306;5.1115,1.0449,-.3201;-5.3703,.2191,-.8827;-4.5833,2.5981,-.1254; 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 1331 GEPOL Volume 1750.5346 GEPOL Surface-area 951.7073 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.2s) Overall time for CPCM initialization 0.5s -958.86358645 980.49558589 -1939.35917234 -3255.23413489 1315.87496254 -0.02045859 -1914.37216780 955.50858135 2.00351122 58.000218804773 58.000218804773 116.000437609545 -75.344202007328 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 -2422.0939 -522.4553 -394.1144 -282.5869 -281.1088 -280.6487 -279.9520 -279.4603 -279.2911 -279.1793 -279.1660 -279.1298 -279.1243 -278.9777 -220.5110 -164.8868 -164.7153 -164.5994 -31.7222 -29.6042 -26.0810 -25.1842 -24.4474 -23.3956 -23.2867 -22.1310 -21.0214 -19.8005 -19.4534 -18.6955 -18.1222 -17.8030 -16.5211 -15.9014 -15.5179 -15.4398 -15.0785 -14.9708 -14.6025 -14.4071 -13.8983 -13.6954 -13.6123 -12.9958 -12.8619 -12.6948 -12.6285 -12.2839 -12.1273 -11.6725 -11.4745 -11.3190 -10.9427 -10.8140 -10.6524 -10.0624 -10.0103 -8.4910 1.0204 1.6405 3.1985 3.6477 3.8034 3.9141 4.0642 4.1732 4.3621 4.4294 4.5822 4.7045 5.1978 5.2328 5.3130 5.4483 5.5964 5.7516 5.8931 6.0926 6.2844 6.3676 6.5816 6.8602 6.9584 7.1040 7.2763 7.4089 7.6295 7.7433 7.8592 7.9447 8.0101 8.1627 8.2788 8.6103 8.8021 8.8685 9.1511 9.2884 9.3423 9.5978 9.6892 10.0276 10.0700 10.2644 10.3094 10.8485 10.9325 11.1080 11.2961 11.4482 11.4888 12.0045 12.1100 12.4069 12.6074 12.6810 12.8196 13.2048 13.2542 13.4649 13.5145 13.5784 13.6630 13.8425 13.9634 14.0122 14.0211 14.1994 14.3219 14.4299 14.5518 14.6747 14.7765 14.8736 15.0206 15.1152 15.1480 15.3449 15.4353 15.6111 15.7710 16.1626 16.1683 16.2786 16.3387 16.6093 16.8199 16.9379 17.2164 17.3902 17.5113 17.7363 18.0311 18.0908 18.3122 18.5954 18.8934 19.0728 19.3183 19.6978 19.8295 20.1505 20.3444 20.5651 21.0132 21.1326 21.3059 21.4521 22.3077 22.3768 22.4828 22.7316 22.8461 23.1438 23.3166 23.5944 23.8909 24.1482 24.3062 24.4032 24.6709 24.8118 25.1517 25.3413 25.9431 26.1140 26.3676 26.4130 26.6761 26.8212 27.2148 27.5008 27.7189 27.9629 28.1809 28.4409 28.5842 28.9041 29.1153 29.4757 29.6536 30.0234 30.1352 30.4851 30.6295 30.8896 31.1166 31.4208 31.6408 31.8989 31.9542 32.2090 32.3332 32.4970 32.6218 32.8268 33.1061 33.1816 33.3977 33.5734 33.7717 33.9652 34.1201 34.2755 34.3387 34.7801 34.9931 35.0510 35.2282 35.2751 35.5843 35.9280 36.0213 36.1489 36.1645 36.7404 36.8680 37.0167 37.4562 37.7509 37.9936 38.1917 38.2625 38.3993 38.5827 38.9564 39.0857 39.7313 40.0047 40.1970 40.2548 40.6523 40.8888 41.0991 41.1318 41.2000 41.5309 41.8163 41.9522 42.0965 42.1635 42.2942 42.5432 42.7340 42.8733 43.0347 43.1367 43.3710 43.5132 43.5735 43.6809 43.9506 44.0587 44.3384 44.5889 44.6504 44.7423 44.8893 45.1457 45.6299 45.7365 45.9914 46.0772 46.3843 46.7439 46.9083 47.0770 47.3228 47.6882 48.1166 48.1190 48.3988 48.5326 48.8170 49.0252 49.3673 49.3937 49.6979 50.1349 50.4904 50.7045 50.8210 51.2046 51.6301 51.8694 52.1501 52.3777 52.7761 53.0871 53.2520 54.6257 54.9563 55.1828 55.9572 56.3443 56.9528 57.2303 57.9507 58.3251 59.0181 59.3329 59.3809 59.5134 59.9558 60.4505 60.6712 61.1490 61.3074 61.5171 61.7600 61.9297 62.1835 62.5220 63.0506 63.5798 64.1934 64.3262 65.6138 66.2834 66.4348 66.5971 67.5658 67.6772 68.1626 69.0194 69.4247 70.0206 70.1680 70.3777 70.9714 71.2013 71.5219 71.8566 71.8962 72.0500 72.1099 72.3715 72.6189 72.9790 73.2577 73.3502 73.8548 74.1045 74.3622 74.5931 75.0068 75.3993 75.7071 75.9817 76.1695 76.4939 76.5863 76.8878 77.4046 77.4800 78.2421 78.4283 78.7620 79.0863 79.6736 79.7991 80.0277 80.0797 80.6904 80.8449 80.9750 81.2807 81.2934 81.4398 81.7874 81.9596 82.1611 82.4326 82.7009 82.9610 83.1548 83.5162 83.7889 84.1327 84.4919 84.6224 84.9190 85.1069 85.3831 85.6758 86.0593 86.3022 86.6452 86.7088 86.8962 86.9488 87.2233 87.2967 87.3482 87.7639 87.8400 88.0676 88.3398 88.5947 88.6131 88.7552 88.9540 88.9851 89.1809 89.3634 89.4944 89.6352 89.9517 90.0046 90.2120 90.2365 90.5011 90.6731 90.9090 90.9421 91.0109 91.3183 91.4820 91.8768 91.9726 92.1012 92.3114 92.5447 92.8006 93.1621 93.3777 93.5166 93.8890 94.0259 94.3007 94.6800 94.9887 95.2284 95.3456 95.6317 95.8239 96.2539 96.6357 96.8685 97.1995 97.5425 97.7113 98.2405 98.3561 98.5863 99.1274 99.7420 100.0553 100.3573 100.6051 100.7189 100.7560 101.0578 101.2078 101.5985 101.8995 101.9956 102.3040 102.3386 103.0087 103.1925 103.5162 103.8086 103.8381 103.9575 104.1486 104.3328 104.5676 104.9989 105.2490 105.2729 105.6176 106.2563 106.6080 106.7376 106.9778 107.0850 107.5387 107.8029 108.0347 108.2465 108.3585 108.4122 108.5455 108.6738 109.1170 109.2437 109.3978 109.6043 109.9107 110.0590 110.1535 110.4942 110.8215 111.0668 111.4120 111.5853 111.8615 111.9889 112.1542 112.7235 113.0290 113.2005 113.6274 113.6861 113.7834 114.0780 114.2900 114.5899 114.7027 114.7924 114.9801 115.1399 115.4359 115.4596 115.7502 116.0540 116.1086 116.3363 116.9393 117.2384 117.4195 117.7481 118.0388 118.4252 118.5012 118.7678 118.9625 119.1933 119.3039 119.6169 119.7596 119.8939 120.2667 120.5649 120.8538 120.9424 121.2049 121.3685 121.4492 122.0189 122.2423 122.6300 122.8031 122.9573 123.1807 123.3955 123.6006 123.9943 124.4177 124.5276 125.1444 125.7670 126.1050 126.3964 126.7301 126.9023 127.1890 127.8675 128.6832 128.8030 129.1217 129.5424 129.7779 129.9231 130.1012 130.3131 130.6062 130.7401 131.1131 131.3218 131.9971 132.1418 132.4886 133.2528 133.5356 133.9864 134.2929 134.7385 135.2047 135.4220 135.7797 136.0628 136.0859 136.1677 136.6586 137.2850 137.3981 137.6004 138.1189 138.2510 138.6384 138.7315 139.3530 139.5307 139.5861 140.1680 140.6925 141.2068 141.4336 141.6915 141.9167 142.2689 143.1980 143.2407 143.8622 144.4151 144.7801 145.5486 145.6742 146.0719 146.3056 146.6433 146.9234 147.3351 147.6851 148.3635 148.7924 149.0545 149.3305 149.5619 149.9945 150.1191 150.4464 151.3062 151.5098 151.9377 152.0616 152.5792 152.7372 153.1702 153.2997 153.6159 153.8928 153.9321 154.2889 154.5978 154.8404 155.0962 155.2945 155.6096 156.3468 156.6584 156.9672 157.2629 157.7140 158.0585 158.2399 158.5580 158.8202 159.3554 159.7465 159.9803 160.1969 160.5602 160.5798 161.6221 161.7976 162.6763 164.8122 167.2799 170.8915 176.9406 177.1498 182.4657 186.1261 186.4913 188.6631 189.0526 189.5335 193.5560 195.6586 197.8463 207.0026 244.2309 259.6838 260.5572 552.4666 617.7397 636.3842 636.8953 639.5384 639.6077 640.5972 641.6242 642.4156 643.0812 643.3138 646.9157 895.9768 1198.9855 -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 0.114132 -0.550818 -0.073303 -0.123553 -0.139807 -0.139517 -0.111559 -0.146690 -0.082290 -0.117513 -0.273638 0.317470 -0.268983 -0.071675 0.065144 0.063820 0.072726 0.074335 0.070044 0.075690 0.090318 0.069989 0.075542 0.069406 0.124548 0.099914 0.060272 0.071968 0.092549 0.082552 0.077054 0.159710 0.172164 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 15.8859 8.5508 7.0733 6.1236 6.1398 6.1395 6.1116 6.1467 6.0823 6.1175 6.2736 5.6825 6.2690 6.0717 0.9349 0.9362 0.9273 0.9257 0.9300 0.9243 0.9097 0.9300 0.9245 0.9306 0.8755 0.9001 0.9397 0.9280 0.9075 0.9174 0.9229 0.8403 0.8278 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 0.1141 -0.5508 -0.0733 -0.1236 -0.1398 -0.1395 -0.1116 -0.1467 -0.0823 -0.1175 -0.2736 0.3175 -0.2690 -0.0717 0.0651 0.0638 0.0727 0.0743 0.0700 0.0757 0.0903 0.0700 0.0755 0.0694 0.1245 0.0999 0.0603 0.0720 0.0925 0.0826 0.0771 0.1597 0.1722 2.5540 1.9627 3.0873 3.8476 3.9160 3.8716 3.8741 3.8971 3.7904 3.8767 3.9278 4.2100 3.9178 3.9955 1.0112 1.0056 1.0087 1.0097 1.0025 1.0111 1.0170 1.0182 1.0074 1.0106 1.0000 1.0293 1.0020 1.0075 1.0049 1.0009 0.9978 0.9983 0.9865 2.5540 1.9627 3.0873 3.8476 3.9160 3.8716 3.8741 3.8971 3.7904 3.8767 3.9278 4.2100 3.9178 3.9955 1.0112 1.0056 1.0087 1.0097 1.0025 1.0111 1.0170 1.0182 1.0074 1.0106 1.0000 1.0293 1.0020 1.0075 1.0049 1.0009 0.9978 0.9983 0.9865 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 1.0014 1.2598 1.8157 0.8555 1.1867 0.9217 0.9236 1.0024 1.0015 0.9416 1.0136 1.0055 0.9273 1.0157 1.0036 0.9032 1.0053 1.0131 0.9373 1.0150 1.0105 0.9984 0.9862 0.9337 1.0044 1.0061 0.9973 0.9933 0.9899 1.1190 1.7322 0.9684 0.9379 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 -0.012402214 -958.875988663835 37.28048 -36.67218 0.60829 -4.46460 6.38858 1.92398 2.64492 -2.11472 0.53020 2.08635 5.30307