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:-1.4816,.6045,1.1608;-1.8292,.1669,-2.5636;-1.7186,-.2118,-.3042;1.9724,-2.1375,-.1697;.6053,-2.1487,-.8509;2.2259,-.9322,.7377;-.5625,-2.3578,.1162;2.2132,.4089,.0108;-1.8467,-1.6594,-.3108;2.4085,1.6175,.9219;3.7534,1.6565,1.6343;-1.6853,.5882,-1.4225;-1.4586,1.9633,-1.0004;-1.3291,2.0946,.3283;2.7522,-2.1707,-.9371;2.0909,-3.0555,.4156;.5852,-2.9373,-1.6076;.4773,-1.2177,-1.4083;3.1938,-1.0759,1.2262;1.4883,-.9066,1.5476;-.2976,-2.022,1.1237;-.7798,-3.4238,.2176;1.2634,.5347,-.5167;2.9878,.4091,-.7652;-2.6764,-1.9468,.3381;-2.1267,-1.9412,-1.3256;2.2955,2.5267,.3243;1.6019,1.6445,1.6616;3.8746,.828,2.334;4.5814,1.6087,.9229;3.8699,2.5783,2.2072;-1.3972,2.7774,-1.7071;-1.1533,2.9996,.8923; 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 1076.1351192042 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 5.588e-05 Time for diagonalization 0.164 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.111 sec Total time needed 0.277 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:-1.4816,.6045,1.1608;-1.8292,.1669,-2.5636;-1.7186,-.2118,-.3042;1.9724,-2.1375,-.1697;.6053,-2.1487,-.8509;2.2259,-.9322,.7377;-.5625,-2.3578,.1162;2.2132,.4089,.0108;-1.8467,-1.6594,-.3108;2.4085,1.6175,.9219;3.7534,1.6565,1.6343;-1.6853,.5882,-1.4225;-1.4586,1.9633,-1.0004;-1.3291,2.0946,.3283;2.7522,-2.1707,-.9371;2.0909,-3.0555,.4156;.5852,-2.9373,-1.6076;.4773,-1.2177,-1.4083;3.1938,-1.0759,1.2262;1.4883,-.9066,1.5476;-.2976,-2.022,1.1237;-.7798,-3.4238,.2176;1.2634,.5347,-.5167;2.9878,.4091,-.7652;-2.6765,-1.9468,.3381;-2.1267,-1.9412,-1.3256;2.2955,2.5267,.3243;1.6019,1.6445,1.6616;3.8746,.828,2.334;4.5814,1.6087,.9229;3.8699,2.5783,2.2072;-1.3972,2.7774,-1.7071;-1.1533,2.9996,.8923; 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:-1.4816,.6045,1.1608;-1.8292,.1669,-2.5636;-1.7186,-.2118,-.3042;1.9724,-2.1375,-.1697;.6053,-2.1487,-.8509;2.2259,-.9322,.7377;-.5625,-2.3578,.1162;2.2132,.4089,.0108;-1.8467,-1.6594,-.3108;2.4085,1.6175,.9219;3.7534,1.6565,1.6343;-1.6853,.5882,-1.4225;-1.4586,1.9633,-1.0004;-1.3291,2.0946,.3283;2.7522,-2.1707,-.9371;2.0909,-3.0555,.4156;.5852,-2.9373,-1.6076;.4773,-1.2177,-1.4083;3.1938,-1.0759,1.2262;1.4883,-.9066,1.5476;-.2976,-2.022,1.1237;-.7798,-3.4238,.2176;1.2634,.5347,-.5167;2.9878,.4091,-.7652;-2.6764,-1.9468,.3381;-2.1267,-1.9412,-1.3256;2.2955,2.5267,.3243;1.6019,1.6445,1.6616;3.8746,.828,2.334;4.5814,1.6087,.9229;3.8699,2.5783,2.2072;-1.3972,2.7774,-1.7071;-1.1533,2.9996,.8923; 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 1189 GEPOL Volume 1736.9027 GEPOL Surface-area 865.4596 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.1s) Overall time for CPCM initialization 0.5s -958.86055224 1076.13511920 -2034.99567144 -3446.62848719 1411.63281575 -0.02025872 -1914.36135507 955.50080283 2.00351622 58.000166007621 58.000166007621 116.000332015242 -75.346849130519 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 -2422.0769 -522.4619 -394.1124 -282.6045 -281.1099 -280.6410 -279.9559 -279.4381 -279.2074 -279.1893 -279.1854 -279.1183 -279.1100 -278.9748 -220.4950 -164.8710 -164.6988 -164.5835 -31.7132 -29.5993 -26.0695 -25.1600 -24.3452 -23.4083 -23.3145 -22.0861 -20.9645 -20.0366 -19.3310 -18.7131 -18.0924 -17.7190 -16.5178 -16.0218 -15.5640 -15.2774 -14.9450 -14.8743 -14.5606 -14.3804 -14.2016 -13.7955 -13.4640 -13.2348 -12.8491 -12.7157 -12.3719 -12.2050 -12.1205 -11.7705 -11.3827 -11.2462 -10.9281 -10.7912 -10.5775 -10.0836 -10.0261 -8.4786 0.9869 1.6708 3.3278 3.5502 3.6737 3.8561 4.0448 4.1590 4.3001 4.5296 4.7847 4.9235 5.1346 5.2483 5.4460 5.4561 5.5469 5.8214 6.0104 6.0646 6.3249 6.4359 6.5883 6.7985 6.8790 6.9923 7.4747 7.4981 7.6534 7.7476 7.8945 7.9895 8.2728 8.4498 8.7348 8.7639 8.9418 9.0256 9.2352 9.3026 9.4165 9.7202 9.9088 10.2586 10.4627 10.5486 10.9965 11.0496 11.2108 11.2594 11.5658 11.8914 12.0117 12.3178 12.4017 12.5898 12.6472 12.8607 13.2396 13.2991 13.5334 13.6387 13.6651 13.8027 13.9925 14.0723 14.2396 14.2814 14.3492 14.4792 14.6511 14.7518 14.8443 14.8857 14.9721 15.1220 15.2266 15.2807 15.4586 15.6055 15.6974 15.8141 15.9972 16.1952 16.4059 16.4967 16.7247 16.9075 17.0281 17.3223 17.4763 17.6115 17.8788 18.0140 18.3379 18.5240 18.6521 18.8823 19.4706 19.5952 19.6340 19.9685 20.0932 20.4800 20.8626 21.0121 21.1668 21.5083 21.6750 22.0589 22.4809 22.7810 22.8864 23.0915 23.4938 23.6954 23.7927 24.1061 24.3320 24.5211 24.8440 25.2004 25.4419 25.8917 26.0774 26.3484 26.4670 26.7205 26.9395 27.1668 27.2385 27.4188 27.6664 27.8400 28.0856 28.4284 28.8254 28.8845 29.0461 29.4245 29.7614 29.8324 29.9768 30.2056 30.5026 30.6774 30.9742 31.0196 31.5146 31.6461 31.8721 31.9661 32.2788 32.5067 32.6419 32.7649 32.9006 32.9756 33.2242 33.4818 33.5045 33.7521 33.9092 34.1373 34.5408 34.6136 34.8058 35.0174 35.2933 35.3637 35.5559 35.7650 36.0466 36.3605 36.4132 36.7716 36.9105 37.0185 37.4551 37.6484 37.9026 37.9517 38.1357 38.5244 38.7988 38.9545 39.3612 39.4470 39.7803 39.9206 40.0599 40.3967 40.5113 40.8606 41.0721 41.4023 41.5659 41.8125 41.9199 42.0469 42.2013 42.2383 42.4860 42.6690 42.8235 42.9887 43.3569 43.4315 43.5758 43.6694 43.8407 43.9982 44.3242 44.6415 44.6720 44.9205 44.9619 45.0851 45.4170 45.6768 45.7114 46.1100 46.2269 46.7837 46.7970 47.0711 47.3490 47.5736 47.6799 47.9218 48.0340 48.7169 48.7814 48.9827 49.1364 49.3549 49.7162 49.8143 50.4042 50.4393 50.9189 51.0471 51.2545 51.5714 52.1461 52.4831 53.1216 53.2266 53.5501 53.7986 54.7302 55.1696 55.5536 55.8183 56.3535 56.7598 57.0732 57.2619 57.8864 58.3787 58.8787 59.3883 59.7550 60.0508 60.5807 60.6058 61.1385 61.3019 61.6851 61.7806 61.9914 62.2855 62.5370 63.0096 63.3964 63.8075 64.6685 64.8644 65.6860 65.8435 66.1551 66.8577 66.9813 67.5455 68.2114 68.9210 69.2907 69.6499 69.9960 70.3919 71.0713 71.1591 71.3085 71.5247 71.6309 72.1430 72.1902 72.4822 72.5877 73.0519 73.1831 73.6985 73.7197 74.0446 74.0776 74.6916 74.8473 75.3258 75.8333 75.9410 76.0962 76.5601 76.7823 76.9804 77.3870 77.6359 77.8254 78.5325 79.0412 79.3194 79.5103 79.7306 80.1103 80.1483 80.6543 80.7960 80.9408 81.1591 81.4648 81.8218 82.0138 82.2107 82.4917 82.9333 82.9934 83.2013 83.5363 83.6717 83.9499 84.3297 84.4264 84.6845 85.0844 85.2043 85.4573 85.6176 86.0487 86.2105 86.4496 86.6470 86.8043 86.9230 87.1307 87.2976 87.5947 87.8477 88.0292 88.1350 88.2834 88.5396 88.6969 88.9168 89.0693 89.2841 89.4403 89.5378 89.7184 89.8151 90.0890 90.2382 90.3589 90.4695 90.6485 90.8571 91.0414 91.2907 91.5262 91.6767 91.7489 92.0270 92.1988 92.3006 92.5240 92.9214 93.2197 93.3615 93.6731 93.9929 94.1388 94.3329 94.4443 94.9815 95.1059 95.4086 95.5725 95.6519 96.1789 96.4603 96.9279 97.2342 97.5164 97.6085 97.9141 98.1701 98.2398 98.5281 98.8991 99.3814 99.4954 99.9454 100.3845 100.6212 100.9723 101.2240 101.3594 101.6976 101.9990 102.0415 102.3296 102.4155 102.7706 102.9963 103.4412 103.4634 103.7443 103.9696 104.2073 104.3943 104.6105 104.7296 104.9877 105.0761 105.2467 105.7349 105.9483 106.1396 106.6778 107.1076 107.3800 107.5322 108.0041 108.1220 108.3677 108.4945 108.6633 108.8418 109.2240 109.4793 109.6077 109.8172 110.0148 110.3630 110.5231 110.6660 110.8561 111.0516 111.3200 111.5154 111.5870 112.1446 112.2210 112.7824 113.3563 113.6635 113.7617 113.9720 113.9982 114.1985 114.6079 114.8533 115.0521 115.0991 115.2634 115.3596 115.6805 115.8445 116.0121 116.0858 116.5296 116.5725 116.7587 117.0980 117.3658 117.4825 117.7374 117.9775 118.3465 118.5569 118.6458 118.8234 119.0159 119.5382 119.9481 120.2367 120.3411 120.8055 120.8702 121.3050 121.5171 121.5574 121.8725 122.0494 122.2672 122.5769 122.8703 123.0189 123.4044 123.5158 123.8143 124.0196 124.3525 124.5606 124.9778 125.2971 126.0940 126.3790 126.6400 127.3817 127.4852 127.8740 128.1865 128.5630 128.9732 129.4968 129.7264 130.0111 130.2587 130.4280 130.6754 130.9643 131.4320 131.9406 132.1415 132.3408 132.6886 132.8224 133.6270 133.8185 134.0893 134.4844 135.0964 135.2856 135.4433 135.8778 136.0683 136.5666 136.6746 137.0920 137.1440 137.5294 137.8904 138.1185 138.2473 138.8233 138.9732 139.1861 139.8005 140.2896 140.6951 141.0502 141.4125 141.5341 141.6742 141.9997 142.2352 142.6965 143.1056 143.3670 144.3089 144.5328 145.1538 145.5313 145.8739 146.1479 146.8384 146.9350 147.1254 148.1873 148.3443 148.7012 149.0828 149.1903 149.8359 150.0976 150.4529 151.2803 151.4291 151.5442 152.2299 152.5204 152.6200 152.9905 153.2712 153.3680 153.7100 154.2506 154.3195 154.5270 154.7611 154.9111 155.1862 155.3582 155.7967 156.1295 156.8094 157.4092 157.5966 157.9286 158.1223 158.4771 158.7773 159.0189 159.5738 160.0090 160.0491 160.5003 160.9477 161.2745 162.5483 163.0274 163.4707 165.4793 167.7686 171.2630 177.1926 177.4120 182.5339 187.2914 187.8260 188.9377 189.1638 191.3645 193.6985 195.8133 198.0253 207.1918 246.4856 260.5167 260.8682 553.7934 619.8814 637.3997 638.7339 639.6673 639.9243 640.7550 641.4337 642.4932 643.5689 644.0111 646.5979 896.4373 1200.1622 -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 0.111238 -0.541341 -0.057778 -0.151219 -0.152068 -0.131453 -0.141961 -0.119851 -0.090226 -0.106339 -0.279132 0.290410 -0.254532 -0.064907 0.073763 0.077966 0.093388 0.072080 0.083732 0.061316 0.076831 0.095060 0.044468 0.079389 0.130814 0.103258 0.072903 0.041897 0.079700 0.081133 0.091352 0.157329 0.172783 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 15.8888 8.5413 7.0578 6.1512 6.1521 6.1315 6.1420 6.1199 6.0902 6.1063 6.2791 5.7096 6.2545 6.0649 0.9262 0.9220 0.9066 0.9279 0.9163 0.9387 0.9232 0.9049 0.9555 0.9206 0.8692 0.8967 0.9271 0.9581 0.9203 0.9189 0.9086 0.8427 0.8272 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 0.1112 -0.5413 -0.0578 -0.1512 -0.1521 -0.1315 -0.1420 -0.1199 -0.0902 -0.1063 -0.2791 0.2904 -0.2545 -0.0649 0.0738 0.0780 0.0934 0.0721 0.0837 0.0613 0.0768 0.0951 0.0445 0.0794 0.1308 0.1033 0.0729 0.0419 0.0797 0.0811 0.0914 0.1573 0.1728 2.5465 1.9711 3.0660 3.9315 3.8551 3.8513 3.8572 3.8508 3.8364 3.8627 3.9469 4.2232 3.8855 3.9701 1.0084 1.0058 1.0089 1.0060 1.0113 1.0127 1.0047 1.0161 1.0234 1.0142 1.0008 1.0267 1.0057 1.0188 0.9980 1.0002 1.0042 1.0009 0.9855 2.5465 1.9711 3.0660 3.9315 3.8551 3.8513 3.8572 3.8508 3.8364 3.8627 3.9469 4.2232 3.8855 3.9701 1.0084 1.0058 1.0089 1.0060 1.0113 1.0127 1.0047 1.0161 1.0234 1.0142 1.0008 1.0267 1.0057 1.0188 0.9980 1.0002 1.0042 1.0009 0.9855 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 1.0028 1.2297 1.8294 0.8633 1.1767 0.9271 0.9398 1.0091 1.0106 0.8952 0.9950 1.0164 0.9144 1.0020 1.0036 0.9309 1.0273 0.9898 0.9293 1.0143 1.0022 1.0022 0.9859 0.9359 1.0102 1.0038 0.9944 0.9954 0.9999 1.1137 1.7164 0.9729 0.9411 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 -0.016627324 -958.877179559749 21.43888 -21.09846 0.34042 -4.79138 5.03043 0.23905 4.82679 -2.78059 2.04620 2.08805 5.30741