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:-3.5961,-.8105,.1695;-1.8233,2.0975,-1.4355;-2.3047,.0711,-.4818;2.1001,-.1665,.3058;1.0491,-.9843,1.0485;3.511,-.7121,.4914;-.3626,-.4102,.981;4.5664,.1097,-.2391;-.9536,-.4554,-.4216;5.9834,-.448,-.1362;6.5478,-.4624,1.2774;-2.6362,1.3163,-.9564;-4.0695,1.5083,-.7884;-4.6781,.4637,-.207;2.0625,.8707,.6572;1.8707,-.1319,-.7641;1.3373,-1.0572,2.1013;1.0445,-2.0115,.6677;3.5499,-1.7485,.1365;3.7379,-.7499,1.5616;-.3632,.6234,1.3396;-1.0067,-.9756,1.661;4.5537,1.1373,.1417;4.2916,.1783,-1.2967;-.9551,-1.4786,-.8056;-.3655,.14,-1.1188;6.0043,-1.4621,-.5483;6.642,.1483,-.7741;5.9893,-1.1261,1.9393;7.5845,-.8031,1.2837;6.5297,.5355,1.7217;-4.5691,2.412,-1.1033;-5.7267,.3555,.0299; 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 967.5070699872 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 4.270e-05 Time for diagonalization 0.146 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.106 sec Total time needed 0.255 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:-3.5961,-.8105,.1695;-1.8233,2.0975,-1.4355;-2.3047,.0711,-.4818;2.1001,-.1665,.3058;1.0491,-.9843,1.0485;3.511,-.7121,.4914;-.3626,-.4102,.9811;4.5664,.1097,-.2391;-.9536,-.4554,-.4216;5.9834,-.448,-.1362;6.5478,-.4624,1.2774;-2.6362,1.3163,-.9564;-4.0695,1.5083,-.7884;-4.6781,.4637,-.207;2.0625,.8707,.6572;1.8707,-.1319,-.7641;1.3373,-1.0572,2.1013;1.0445,-2.0115,.6677;3.5499,-1.7485,.1365;3.7379,-.7499,1.5616;-.3632,.6234,1.3396;-1.0067,-.9756,1.661;4.5537,1.1373,.1417;4.2916,.1783,-1.2967;-.9551,-1.4786,-.8056;-.3655,.14,-1.1188;6.0043,-1.4621,-.5483;6.642,.1483,-.7741;5.9893,-1.1261,1.9393;7.5845,-.8031,1.2837;6.5297,.5355,1.7217;-4.5691,2.412,-1.1033;-5.7267,.3555,.0299; 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:-3.5961,-.8105,.1695;-1.8233,2.0975,-1.4355;-2.3047,.0711,-.4818;2.1001,-.1665,.3058;1.0491,-.9843,1.0485;3.511,-.7121,.4914;-.3626,-.4102,.981;4.5664,.1097,-.2391;-.9536,-.4554,-.4216;5.9834,-.448,-.1362;6.5478,-.4624,1.2774;-2.6362,1.3163,-.9564;-4.0695,1.5083,-.7884;-4.6781,.4637,-.207;2.0625,.8707,.6572;1.8707,-.1319,-.7641;1.3373,-1.0572,2.1013;1.0445,-2.0115,.6677;3.5499,-1.7485,.1365;3.7379,-.7499,1.5616;-.3632,.6234,1.3396;-1.0067,-.9756,1.661;4.5537,1.1373,.1417;4.2916,.1783,-1.2967;-.9551,-1.4786,-.8056;-.3655,.14,-1.1188;6.0043,-1.4621,-.5483;6.642,.1483,-.7741;5.9893,-1.1261,1.9393;7.5845,-.8031,1.2837;6.5297,.5355,1.7217;-4.5691,2.412,-1.1033;-5.7267,.3555,.0299; 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 1314 GEPOL Volume 1742.5725 GEPOL Surface-area 961.2560 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.2s) Overall time for CPCM initialization 0.5s -958.86484506 967.50706999 -1926.37191505 -3229.47776149 1303.10584644 -0.02068617 -1914.37456965 955.50972458 2.00351134 58.000053185555 58.000053185555 116.000106371109 -75.343283133315 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 -2422.0883 -522.4556 -394.1146 -282.5878 -281.1074 -280.6405 -279.9492 -279.4568 -279.2922 -279.1698 -279.1663 -279.1168 -279.1074 -278.9627 -220.5057 -164.8818 -164.7096 -164.5942 -31.7194 -29.6003 -26.0783 -25.1567 -24.4635 -23.4060 -23.3278 -22.1095 -20.9891 -19.7308 -19.3512 -18.6206 -18.1413 -18.0654 -16.5295 -15.7694 -15.6121 -15.4693 -14.9806 -14.8781 -14.5410 -14.4205 -14.1764 -13.6690 -13.5298 -13.0460 -12.7623 -12.7214 -12.5134 -12.3108 -11.9322 -11.8466 -11.3929 -11.2442 -11.0166 -10.9470 -10.5832 -10.0652 -10.0220 -8.4908 1.0190 1.6549 3.3428 3.5805 3.9186 4.0027 4.0870 4.1660 4.2513 4.4174 4.4887 4.7008 5.0599 5.3152 5.4268 5.5186 5.6076 5.7835 5.8237 5.9567 6.1481 6.4761 6.6531 6.7626 6.9014 7.1101 7.3052 7.4668 7.5375 7.6644 7.7730 7.9743 8.1223 8.2417 8.4059 8.6820 8.7463 8.9276 9.0919 9.3116 9.4864 9.6344 9.8569 10.1035 10.3820 10.5363 10.6891 10.6917 10.7911 11.0634 11.2749 11.4324 11.5098 11.7800 11.8131 12.1561 12.5688 12.7521 12.8605 13.0501 13.2153 13.3152 13.3457 13.4918 13.5743 13.8815 13.9665 14.0150 14.0942 14.2463 14.3629 14.4412 14.5901 14.6175 14.8119 14.9397 15.0630 15.1393 15.2021 15.4278 15.5252 15.5851 15.7854 16.0052 16.1897 16.3263 16.4763 16.7902 16.9107 16.9736 17.1034 17.3851 17.6538 17.9873 18.0387 18.1703 18.6643 18.8004 18.9456 19.1647 19.3321 19.4859 19.7735 19.9408 20.2591 20.7272 20.9213 21.0124 21.3104 21.4493 21.5671 22.1209 22.3292 22.6795 22.8842 23.3284 23.4076 23.5806 23.8870 24.0659 24.0869 24.3283 24.4806 24.6384 25.0343 25.2186 25.3630 25.9428 26.0734 26.4751 26.5000 26.7041 26.8198 27.1201 27.6088 27.8608 28.1189 28.3424 28.5708 28.7087 28.8729 29.3597 29.9211 30.0636 30.2055 30.3491 30.7227 31.0931 31.1527 31.4159 31.6710 31.8431 31.9262 32.2669 32.4444 32.5975 32.6752 32.8961 32.9484 33.0736 33.2769 33.5563 33.7082 33.7676 33.9234 34.0447 34.4446 34.5899 34.6848 34.8666 35.1805 35.3427 35.6170 35.6335 35.8634 36.0146 36.2475 36.4555 36.8447 36.8593 37.2451 37.3511 37.7355 37.9908 38.2866 38.3785 38.6296 38.9412 39.4919 39.6095 39.8419 39.9006 40.0587 40.3548 40.5956 40.7946 40.9234 41.2090 41.3312 41.6700 41.7643 41.9327 42.0540 42.3092 42.3650 42.5726 42.7054 42.8319 42.8549 42.9552 43.0997 43.2999 43.6970 43.8864 44.0284 44.2324 44.3985 44.5009 44.6232 44.9242 45.3818 45.4901 45.6790 45.8382 45.9924 46.2009 46.3322 46.5145 46.8571 47.0575 47.2896 47.5597 47.9127 48.0458 48.2982 48.7615 48.9388 49.3385 49.5928 49.7596 50.0821 50.1764 50.4130 50.5947 50.8554 51.4280 51.9308 51.9735 52.1031 52.2763 52.7612 53.0776 54.4632 54.7385 55.0161 55.9847 56.5044 56.7179 57.2888 57.8842 58.3875 59.0101 59.3702 59.5644 59.7576 59.9505 60.1317 60.8380 60.9639 61.2731 61.3492 61.6113 61.9346 62.1373 62.5047 62.6606 62.8677 64.1661 64.3140 65.1765 65.6563 66.2120 66.5349 67.5040 67.7007 68.2715 68.7076 69.2923 69.6902 70.0314 70.5919 70.7603 71.1781 71.4910 71.7433 71.9875 72.0251 72.2436 72.4401 72.6835 72.9670 73.1235 73.2684 73.6745 74.0855 74.4583 74.5654 74.6831 74.9836 75.4860 75.6981 75.9610 76.3748 76.6967 76.9669 77.1801 77.5004 77.8543 78.5377 78.9444 79.2547 79.5401 79.7419 79.8427 80.3391 80.6546 80.7401 80.9402 81.1905 81.4755 81.6012 81.8171 81.9576 82.2043 82.3899 82.8092 82.9786 83.2770 83.5272 83.7476 83.9092 84.3621 84.5701 84.7101 85.1537 85.2853 85.6000 85.8086 86.1489 86.4786 86.6493 86.7824 86.9539 87.1608 87.2637 87.4235 87.6700 87.7789 87.9291 88.1030 88.3007 88.4002 88.6647 88.9805 89.0668 89.1751 89.2578 89.4823 89.5925 89.8359 89.9215 90.0941 90.1594 90.3344 90.4885 90.6633 90.8549 90.9217 91.1584 91.3571 91.4314 91.6583 92.0188 92.3019 92.4949 92.7217 92.7561 93.0379 93.2384 93.3800 93.7502 94.3006 94.3576 94.7354 94.7916 95.3435 95.5194 95.8630 96.5433 96.6034 97.0639 97.3538 97.5091 97.7013 98.0904 98.6941 98.7162 98.9471 99.4339 99.6950 100.0246 100.2724 100.5450 100.8455 100.8953 100.9639 101.4142 101.6762 101.9908 102.1566 102.5472 102.7624 103.1114 103.3349 103.6049 103.7100 104.0127 104.1502 104.2798 104.5733 104.6729 104.8183 105.4839 106.0479 106.4418 106.5605 106.7919 107.0153 107.2801 107.6384 107.7390 107.8279 107.9434 108.2489 108.4240 108.5500 108.8303 108.9723 109.1301 109.3209 109.7402 109.8054 110.0768 110.3422 110.6652 110.9874 111.1609 111.2989 111.4770 111.7753 111.8704 112.3271 112.6061 112.8297 112.9409 113.5127 113.6916 114.0152 114.1416 114.2526 114.3506 114.4570 114.8499 115.0927 115.2697 115.3344 115.4991 115.7865 115.9622 116.0388 116.1596 116.3960 116.6567 117.0359 117.0694 117.3666 117.9653 118.1040 118.7046 118.7609 118.9315 119.2178 119.5434 119.7351 119.9556 120.1735 120.3185 120.6545 121.0255 121.0870 121.5326 121.5772 121.8392 122.0225 122.2064 122.3085 122.6894 122.8926 123.3052 123.4041 123.5138 123.8805 124.4214 124.8275 125.4471 125.6646 126.3203 126.5717 127.0961 127.4161 127.9008 128.0044 128.5784 128.6631 128.9701 129.6062 129.9373 130.0122 130.5900 130.8492 130.9199 131.3506 131.5237 131.8474 132.1349 132.4680 133.0116 133.1214 134.0018 134.3001 134.6036 135.4503 135.5260 135.7848 136.0487 136.4516 136.5906 136.7993 137.1999 137.4551 137.5780 138.2297 138.4936 138.5865 138.9164 139.3306 139.6930 139.9293 140.1774 140.6264 141.2733 141.4275 141.7612 142.3684 142.8763 143.0462 143.5263 144.0407 144.2570 144.4377 145.0085 145.4792 145.7707 146.2416 146.5410 146.7967 147.4665 147.9457 148.4482 149.0004 149.1215 149.2065 149.7297 150.0453 150.1742 150.9504 151.4192 151.5621 151.8059 151.9413 152.4435 152.7784 152.8837 153.2619 153.6954 153.8244 154.0254 154.3236 154.5999 154.7680 154.8508 155.5342 155.7588 156.1320 156.5485 156.6965 157.3395 157.6157 157.8707 158.1605 158.3063 158.8504 159.1134 159.5059 159.9110 160.1958 160.7867 161.1778 161.4635 162.4361 162.5175 164.8128 167.3339 170.8837 176.9575 177.1566 182.5146 186.1325 186.5037 188.6590 189.0722 189.5365 193.5735 195.6846 197.8527 207.0091 244.2609 259.6344 260.4865 552.3526 617.7456 636.2131 636.8928 638.8923 639.2659 639.6226 640.9927 642.1521 642.4660 643.2709 646.5051 896.0463 1198.9535 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 0.115219 -0.549646 -0.072823 -0.115276 -0.129457 -0.128384 -0.115346 -0.108381 -0.081157 -0.114310 -0.277301 0.314998 -0.267644 -0.070594 0.062705 0.061073 0.075108 0.066223 0.059196 0.062674 0.079241 0.079198 0.061075 0.067776 0.125646 0.093586 0.054358 0.070082 0.078916 0.091221 0.080072 0.160004 0.171952 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 15.8848 8.5496 7.0728 6.1153 6.1295 6.1284 6.1153 6.1084 6.0812 6.1143 6.2773 5.6850 6.2676 6.0706 0.9373 0.9389 0.9249 0.9338 0.9408 0.9373 0.9208 0.9208 0.9389 0.9322 0.8744 0.9064 0.9456 0.9299 0.9211 0.9088 0.9199 0.8400 0.8280 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 0.1152 -0.5496 -0.0728 -0.1153 -0.1295 -0.1284 -0.1153 -0.1084 -0.0812 -0.1143 -0.2773 0.3150 -0.2676 -0.0706 0.0627 0.0611 0.0751 0.0662 0.0592 0.0627 0.0792 0.0792 0.0611 0.0678 0.1256 0.0936 0.0544 0.0701 0.0789 0.0912 0.0801 0.1600 0.1720 2.5545 1.9667 3.0935 3.8832 3.9039 3.8814 3.8762 3.8752 3.7900 3.8973 3.9269 4.2096 3.9150 3.9955 1.0086 1.0121 1.0102 1.0093 1.0080 1.0082 1.0144 1.0194 1.0086 1.0121 1.0011 1.0345 1.0081 1.0065 0.9987 1.0045 1.0004 0.9981 0.9863 2.5545 1.9667 3.0935 3.8832 3.9039 3.8814 3.8762 3.8752 3.7900 3.8973 3.9269 4.2096 3.9150 3.9955 1.0086 1.0121 1.0102 1.0093 1.0080 1.0082 1.0144 1.0194 1.0086 1.0121 1.0011 1.0345 1.0081 1.0065 0.9987 1.0045 1.0004 0.9981 0.9863 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 1.0017 1.2592 1.8174 0.8589 1.1875 0.9260 0.9423 1.0057 1.0063 0.9371 1.0051 1.0106 0.9264 1.0003 1.0086 0.9040 1.0082 1.0131 0.9446 1.0108 1.0055 0.9947 0.9893 0.9325 1.0084 1.0102 0.9935 0.9973 0.9917 1.1166 1.7327 0.9687 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 -0.011846825 -958.876691889832 39.78154 -40.72561 -0.94408 -4.81165 3.23424 -1.57741 6.47230 -5.50419 0.96811 2.07768 5.28103