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:-3.0432,.7317,1.0471;-2.8086,.0025,-2.6402;-2.3139,.5566,-.4715;2.1602,-1.4977,.479;1.3852,-.3566,-.169;3.6624,-1.4611,.2162;-.1182,-.4891,.0324;4.3809,-.2725,.8438;-.8714,.6683,-.6037;5.8911,-.3187,.6505;6.6051,.8677,1.2792;-3.169,.1993,-1.4809;-4.5158,.1134,-.9426;-4.5738,.3652,.3749;1.7594,-2.4478,.1126;1.9811,-1.4906,1.5597;1.6081,-.3313,-1.2413;1.719,.6039,.2351;3.8413,-1.4661,-.8648;4.1083,-2.3846,.5991;-.3385,-.5326,1.1039;-.471,-1.4297,-.3997;4.1545,-.2402,1.9158;3.9977,.6639,.4259;-.6625,.7176,-1.6719;-.5507,1.6206,-.176;6.2821,-1.2478,1.0766;6.1191,-.3573,-.4192;7.6844,.813,1.13;6.2622,1.8107,.8489;6.425,.9142,2.355;-5.3678,-.1357,-1.5563;-5.4461,.3635,1.0117; 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 961.1704932797 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 4.327e-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 0.112 sec Total time needed 0.278 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:-3.0432,.7317,1.0471;-2.8086,.0025,-2.6402;-2.3139,.5566,-.4715;2.1602,-1.4977,.479;1.3852,-.3566,-.169;3.6624,-1.4611,.2162;-.1182,-.4891,.0324;4.3809,-.2725,.8438;-.8714,.6683,-.6037;5.8911,-.3187,.6505;6.6051,.8677,1.2792;-3.169,.1993,-1.4809;-4.5158,.1134,-.9426;-4.5738,.3652,.3749;1.7594,-2.4478,.1126;1.9811,-1.4906,1.5597;1.6081,-.3313,-1.2413;1.719,.6039,.2351;3.8413,-1.4661,-.8648;4.1083,-2.3846,.5991;-.3385,-.5326,1.1039;-.471,-1.4297,-.3997;4.1545,-.2402,1.9158;3.9977,.6639,.4259;-.6625,.7176,-1.6719;-.5507,1.6206,-.176;6.2821,-1.2478,1.0766;6.1191,-.3573,-.4192;7.6844,.813,1.13;6.2622,1.8107,.8489;6.425,.9142,2.355;-5.3678,-.1357,-1.5563;-5.4461,.3635,1.0117; 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 "WATER" 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:-3.0432,.7317,1.0471;-2.8086,.0025,-2.6402;-2.3139,.5566,-.4715;2.1602,-1.4977,.479;1.3852,-.3566,-.169;3.6624,-1.4611,.2162;-.1182,-.4891,.0324;4.3809,-.2725,.8438;-.8714,.6683,-.6037;5.8911,-.3187,.6505;6.6051,.8677,1.2792;-3.169,.1993,-1.4809;-4.5158,.1134,-.9426;-4.5738,.3652,.3749;1.7594,-2.4478,.1126;1.9811,-1.4906,1.5597;1.6081,-.3313,-1.2413;1.719,.6039,.2351;3.8413,-1.4661,-.8648;4.1083,-2.3846,.5991;-.3385,-.5326,1.1039;-.471,-1.4297,-.3997;4.1545,-.2402,1.9158;3.9977,.6639,.4259;-.6625,.7176,-1.6719;-.5507,1.6206,-.176;6.2821,-1.2478,1.0766;6.1191,-.3573,-.4192;7.6844,.813,1.13;6.2622,1.8107,.8489;6.425,.9142,2.355;-5.3678,-.1357,-1.5563;-5.4461,.3635,1.0117; Epsilon 78.3550 Refrac 1.0000 Rsolv 1.3000 Surface type GEPOL SES Epsilon function type CPCM S O N C H 2.4900 1.5200 1.8900 1.8500 1.2000 Solvent: WATER Soln 1.3328 Soln25 1.3323 Sola 0.0000 Solb 0.0000 Solg 0.0000 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.2s) GEPOL surface points 1256 GEPOL Volume 1724.6865 GEPOL Surface-area 962.7783 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.1s) Overall time for CPCM initialization 0.4s -958.85722624 961.17049328 -1920.02771952 -3216.63071140 1296.60299189 -0.02632095 -1914.37946188 955.52223564 2.00349023 57.999857284069 57.999857284069 115.999714568138 -75.346667028792 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 -2422.1147 -522.5610 -394.1841 -282.6698 -281.1099 -280.6376 -279.9541 -279.4265 -279.2402 -279.1493 -279.1408 -279.1033 -279.0716 -278.9536 -220.5323 -164.9091 -164.7346 -164.6215 -31.7815 -29.6579 -26.0878 -25.1571 -24.4409 -23.4690 -23.3803 -22.1298 -20.8829 -19.6502 -19.2651 -18.7546 -18.2930 -17.9510 -16.5550 -15.9726 -15.5753 -15.4750 -15.0908 -14.8092 -14.5200 -14.2657 -14.1449 -13.9143 -13.3852 -13.0599 -12.8953 -12.7379 -12.4376 -12.1796 -12.0098 -11.6674 -11.4828 -11.2356 -11.0046 -10.8884 -10.6962 -10.1628 -10.0472 -8.5592 0.9831 1.6583 3.3905 3.5885 3.8743 4.0116 4.0433 4.1581 4.2912 4.4489 4.5292 4.7744 5.1122 5.2397 5.4722 5.5498 5.7415 5.8751 5.9064 6.0414 6.2876 6.4003 6.5729 6.6098 6.8738 6.9483 7.1358 7.3573 7.4282 7.5909 7.8887 8.0439 8.1002 8.2307 8.5456 8.6068 8.6935 9.2319 9.3103 9.5013 9.7139 9.7888 9.9497 10.0357 10.2635 10.3658 10.7230 10.7934 10.8714 11.0229 11.2579 11.3535 11.4390 11.8890 11.9507 12.1162 12.2665 12.4173 12.6597 12.8061 13.0368 13.1097 13.4082 13.5751 13.6066 13.7248 13.9108 13.9906 14.1500 14.3161 14.4396 14.5467 14.6843 14.9070 15.0205 15.0600 15.1663 15.2226 15.4490 15.4873 15.5009 15.6538 15.7661 15.9379 16.2256 16.4792 16.5965 16.7830 16.9136 17.0887 17.1978 17.4650 17.5752 17.8216 18.0409 18.1677 18.3777 18.6196 18.8092 19.1447 19.2535 19.4008 19.6961 20.0317 20.3629 20.4752 20.6035 21.0581 21.2187 21.3674 21.6366 22.2818 22.5735 22.7424 23.0164 23.2259 23.3076 23.5806 23.6743 23.7938 23.9817 24.0111 24.1571 24.6648 24.9518 25.2646 25.5060 25.6961 26.3798 26.4295 26.4779 26.7335 26.8699 27.0703 27.6147 27.9393 28.1861 28.3861 28.5677 28.7328 29.1639 29.2359 29.5964 30.1607 30.2213 30.6374 30.7282 30.9262 31.1729 31.2205 31.5227 31.6610 32.0152 32.0755 32.2201 32.3809 32.5183 32.6910 32.9849 33.1117 33.2369 33.3151 33.5418 33.8188 34.0591 34.3563 34.4074 34.4868 34.7974 35.0822 35.2025 35.4909 35.6524 35.8336 35.9447 36.0019 36.2893 36.5284 36.7638 37.0730 37.1731 37.5456 37.7763 38.1933 38.2215 38.4387 38.6673 38.8738 39.0324 39.5745 39.8916 40.1131 40.2917 40.4562 40.6552 40.8793 40.9524 41.1155 41.2804 41.5277 41.6535 41.7183 42.0129 42.2125 42.3968 42.4516 42.7003 42.8482 42.8642 42.9551 43.0920 43.1666 43.3531 43.7093 44.1080 44.1692 44.2591 44.3462 44.4911 44.6106 45.1790 45.4512 45.5636 45.8310 46.0145 46.1198 46.2261 46.5019 46.8898 47.0113 47.1935 47.3357 47.5096 47.9711 48.2953 48.4129 48.5665 49.0104 49.2570 49.5780 49.6247 50.3326 50.4879 50.6357 50.9819 51.6476 51.8530 52.0986 52.2002 52.5201 52.5977 53.0565 54.1582 54.7072 54.8565 55.8446 56.2200 56.7429 57.1124 57.7880 58.0038 58.9325 59.3155 59.4508 59.7255 59.9598 60.0960 60.5989 60.8663 61.0014 61.2941 61.3864 61.6843 62.1133 62.4142 62.7005 63.0826 63.8502 64.1999 64.8391 65.3907 65.8996 66.4422 67.4354 67.6313 68.1619 68.3737 68.9700 69.5067 69.9458 70.5349 70.9798 71.2189 71.5064 71.7289 71.8312 72.0441 72.1416 72.5392 72.7185 72.8814 73.4069 73.6059 73.7229 73.9098 74.1325 74.4612 74.6457 75.0536 75.4438 75.9325 76.0381 76.3365 76.6421 76.7601 77.2458 78.0053 78.2944 78.6105 78.8554 79.4492 79.5530 79.8706 80.2985 80.5164 80.6409 80.7921 80.9327 80.9848 81.1035 81.5102 81.8625 81.8974 82.0660 82.3591 82.6122 82.7692 83.1520 83.3988 83.9509 84.1127 84.3102 84.6134 84.8919 84.9411 85.2146 85.3676 85.8721 86.0767 86.4750 86.6668 86.7794 87.0580 87.1552 87.1884 87.3257 87.6799 87.7660 87.9472 88.1279 88.4595 88.5904 88.7979 88.9132 88.9963 89.2486 89.3782 89.4894 89.6476 89.8420 90.0340 90.1260 90.2941 90.3781 90.4190 90.5612 90.6961 90.8802 91.1246 91.3538 91.5166 91.6676 91.7969 92.1544 92.2771 92.4201 92.8421 92.9683 93.2141 93.6121 93.7629 93.9993 94.2413 94.2649 94.4123 94.9463 95.3242 95.4541 96.0571 96.4745 96.7192 97.3847 97.5205 97.8220 98.2221 98.8653 99.0131 99.2670 99.3721 99.7123 99.9025 100.0748 100.2063 100.4995 100.6236 100.9660 101.3457 101.5912 101.7762 102.0752 102.2979 102.7303 103.0243 103.1760 103.2944 103.6601 103.8756 104.1031 104.4707 104.7134 105.0467 105.3810 105.7943 105.8921 106.1469 106.5904 107.0354 107.2928 107.6194 107.7658 107.9214 108.1044 108.3063 108.5165 108.6207 108.6907 109.0791 109.1297 109.4726 109.6942 109.8552 110.0484 110.2457 110.4294 110.5592 110.8892 111.0930 111.2044 111.4203 111.8631 112.3172 112.5750 112.7712 112.9208 113.1227 113.4473 113.5733 113.8183 113.9020 114.0488 114.2657 114.4495 114.5603 114.7429 114.9541 115.2014 115.3835 115.4731 115.6135 115.7591 116.1299 116.4244 116.6630 117.2737 117.6269 117.8512 117.9285 118.1405 118.5327 118.5771 118.8594 119.0822 119.3300 119.5184 119.6963 119.8823 120.1202 120.2456 120.5055 120.7405 120.9366 121.1610 121.6345 121.7731 122.1161 122.1768 122.4112 122.9000 123.1065 123.5452 123.6123 123.8791 124.2181 124.6659 125.4323 125.5253 125.9874 126.3343 126.9843 127.2714 127.6337 127.8090 128.5124 129.0479 129.3519 129.7104 129.8152 130.2615 130.4321 130.8889 131.0101 131.1579 131.3591 132.0434 132.6185 132.9665 133.1515 133.3671 134.0240 134.7494 135.1794 135.5629 135.7216 136.0300 136.1719 136.2994 136.9287 136.9839 137.1928 137.6088 138.0985 138.3914 138.6683 138.9350 139.1495 139.2288 139.4353 139.8159 140.0056 140.9749 141.1485 141.1520 141.6056 141.8078 141.9666 142.7826 143.3968 143.7324 144.4347 145.1512 145.4335 145.8917 146.0280 146.3838 146.7073 146.9089 147.2967 147.5355 148.3346 148.8885 148.9100 149.2667 149.5515 149.8864 150.4493 151.0042 151.2713 151.5950 152.2135 152.3664 152.8232 153.1291 153.3095 153.5169 153.6973 153.7536 153.8581 154.2428 154.6168 154.7261 154.9864 155.2314 155.3388 155.9831 156.2989 157.0258 157.2190 157.3303 157.9858 158.0955 158.7230 158.8519 159.1566 159.5336 159.9918 160.1292 160.4962 160.8724 161.4795 162.2152 162.5652 164.4806 167.2549 170.4602 176.6819 176.7212 182.2743 186.1356 186.5831 188.4776 188.7964 189.5396 193.5595 195.3410 197.6467 207.0412 244.2179 259.7435 260.5107 552.6636 617.8569 636.5169 636.8302 637.3475 639.6047 640.1574 641.0136 641.4470 642.5685 643.0695 646.1537 895.9933 1198.7307 -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 0.121639 -0.594276 -0.071487 -0.127746 -0.137633 -0.132713 -0.091350 -0.107749 -0.077907 -0.087492 -0.280425 0.339007 -0.277188 -0.065490 0.074277 0.065428 0.070406 0.067777 0.062081 0.071361 0.066919 0.077288 0.057185 0.057762 0.095544 0.126876 0.054769 0.055452 0.091221 0.077650 0.078250 0.163179 0.177385 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 15.8784 8.5943 7.0715 6.1277 6.1376 6.1327 6.0913 6.1077 6.0779 6.0875 6.2804 5.6610 6.2772 6.0655 0.9257 0.9346 0.9296 0.9322 0.9379 0.9286 0.9331 0.9227 0.9428 0.9422 0.9045 0.8731 0.9452 0.9445 0.9088 0.9224 0.9218 0.8368 0.8226 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 0.1216 -0.5943 -0.0715 -0.1277 -0.1376 -0.1327 -0.0913 -0.1077 -0.0779 -0.0875 -0.2804 0.3390 -0.2772 -0.0655 0.0743 0.0654 0.0704 0.0678 0.0621 0.0714 0.0669 0.0773 0.0572 0.0578 0.0955 0.1269 0.0548 0.0555 0.0912 0.0776 0.0782 0.1632 0.1774 2.5608 1.9076 3.1044 3.8999 3.8965 3.9001 3.8596 3.8564 3.7891 3.8814 3.9441 4.1760 3.9197 3.9928 1.0105 1.0081 1.0093 1.0100 1.0093 1.0108 1.0184 1.0168 1.0080 1.0077 1.0327 1.0012 1.0077 1.0060 1.0039 1.0010 1.0005 0.9971 0.9842 2.5608 1.9076 3.1044 3.8999 3.8965 3.9001 3.8596 3.8564 3.7891 3.8814 3.9441 4.1760 3.9197 3.9928 1.0105 1.0081 1.0093 1.0100 1.0093 1.0108 1.0184 1.0168 1.0080 1.0077 1.0327 1.0012 1.0077 1.0060 1.0039 1.0010 1.0005 0.9971 0.9842 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 1.0037 1.2630 1.7628 0.8517 1.2007 0.9228 0.9442 1.0105 1.0117 0.9383 1.0059 1.0034 0.9267 1.0109 1.0104 0.9018 1.0149 1.0038 0.9427 1.0006 1.0016 0.9951 1.0019 0.9408 1.0063 1.0020 0.9998 0.9961 0.9951 1.1244 1.7260 0.9673 0.9358 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 -0.011510394 -958.868736630274 40.58316 -40.68987 -0.10671 -4.33420 4.63041 0.29621 5.68422 -3.42467 2.25955 2.28138 5.79881