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:-1.4784,.4807,-1.6733;-1.6442,.1725,2.071;-1.635,-.2796,-.1699;1.4033,-1.4674,-.5055;.4794,-2.6815,-.4222;1.9649,-1.0062,.8344;-.7574,-2.5586,.4656;2.9843,.1232,.7082;-1.9034,-1.7079,-.0642;2.4028,1.434,.1911;3.4412,2.5419,.1014;-1.5315,.5571,.9078;-1.2959,1.9095,.4318;-1.2454,1.994,-.9071;.8969,-.6392,-1.0034;2.2409,-1.7318,-1.1598;1.0658,-3.5271,-.0498;.1655,-2.9617,-1.433;2.4368,-1.8592,1.3332;1.1562,-.6805,1.4962;-.4858,-2.2279,1.4692;-1.1823,-3.5579,.5923;3.8016,-.1969,.0522;3.4383,.3046,1.6876;-2.7739,-1.83,.5824;-2.2062,-2.0629,-1.0506;1.9524,1.2867,-.7941;1.5853,1.7482,.8471;3.8869,2.7511,1.0758;4.2518,2.2707,-.578;3.0043,3.4716,-.2659;-1.177,2.7455,1.1042;-1.0825,2.8751,-1.51; 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 1079.2144681908 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 4.659e-05 Time for diagonalization 0.177 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.372 sec Total time needed 0.552 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:-1.4784,.4807,-1.6733;-1.6442,.1725,2.071;-1.635,-.2796,-.1699;1.4033,-1.4674,-.5055;.4794,-2.6815,-.4222;1.9649,-1.0062,.8344;-.7574,-2.5586,.4656;2.9843,.1232,.7082;-1.9034,-1.7079,-.0642;2.4028,1.434,.1911;3.4412,2.5419,.1014;-1.5315,.5571,.9078;-1.2959,1.9095,.4318;-1.2454,1.994,-.9071;.8969,-.6392,-1.0034;2.2409,-1.7318,-1.1598;1.0658,-3.5271,-.0498;.1655,-2.9617,-1.433;2.4368,-1.8592,1.3332;1.1562,-.6805,1.4962;-.4858,-2.2279,1.4692;-1.1823,-3.5579,.5923;3.8016,-.1969,.0522;3.4383,.3046,1.6876;-2.7739,-1.83,.5824;-2.2062,-2.0629,-1.0506;1.9524,1.2867,-.7941;1.5853,1.7482,.8471;3.8869,2.7511,1.0758;4.2518,2.2707,-.578;3.0043,3.4716,-.2659;-1.177,2.7455,1.1042;-1.0825,2.8751,-1.51; 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:-1.4784,.4807,-1.6733;-1.6442,.1725,2.071;-1.635,-.2796,-.1699;1.4033,-1.4674,-.5055;.4794,-2.6815,-.4222;1.9649,-1.0062,.8344;-.7574,-2.5586,.4656;2.9843,.1232,.7082;-1.9034,-1.7079,-.0642;2.4028,1.434,.1911;3.4412,2.5419,.1014;-1.5315,.5571,.9078;-1.2959,1.9095,.4318;-1.2454,1.994,-.9071;.8969,-.6392,-1.0034;2.2409,-1.7318,-1.1598;1.0658,-3.5271,-.0498;.1655,-2.9617,-1.433;2.4368,-1.8592,1.3332;1.1562,-.6805,1.4962;-.4858,-2.2279,1.4692;-1.1823,-3.5579,.5923;3.8016,-.1969,.0522;3.4383,.3046,1.6876;-2.7739,-1.83,.5824;-2.2062,-2.0629,-1.0506;1.9524,1.2867,-.7941;1.5853,1.7482,.8471;3.8869,2.7511,1.0758;4.2518,2.2707,-.578;3.0043,3.4716,-.2659;-1.177,2.7455,1.1042;-1.0825,2.8751,-1.51; 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! ( 0.3s) GEPOL surface points 1218 GEPOL Volume 1737.8810 GEPOL Surface-area 867.4494 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.2s) Overall time for CPCM initialization 0.5s -958.85234288 1079.21446819 -2038.06681107 -3453.06584103 1414.99902996 -0.02538084 -1914.37224132 955.51989843 2.00348757 58.000040063481 58.000040063481 116.000080126962 -75.351617928840 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 -2422.1336 -522.5456 -394.1642 -282.6121 -281.0859 -280.6913 -279.9431 -279.3533 -279.2281 -279.1132 -279.0903 -279.0853 -279.0821 -278.9514 -220.5480 -164.9236 -164.7510 -164.6380 -31.7634 -29.6255 -26.0619 -25.1154 -24.3437 -23.4275 -23.3403 -22.2059 -20.8710 -19.7725 -19.4918 -18.8347 -18.1454 -17.5562 -16.5712 -16.0469 -15.5107 -15.1829 -15.0471 -14.8267 -14.5078 -14.3395 -14.1935 -13.7845 -13.5727 -13.0974 -12.8902 -12.7838 -12.5012 -12.2933 -12.0037 -11.6658 -11.4915 -11.1603 -10.8922 -10.7459 -10.6667 -10.0729 -9.9350 -8.5377 0.9986 1.5874 3.3356 3.5203 3.7068 3.8888 3.9508 4.2033 4.3677 4.5283 4.8423 4.9831 5.0315 5.0732 5.4908 5.5721 5.7607 5.8263 6.0894 6.2493 6.3676 6.5109 6.6413 6.7871 7.0048 7.0274 7.1951 7.3585 7.5725 7.8488 8.0201 8.0808 8.2439 8.4799 8.5712 8.9108 9.1379 9.2584 9.2783 9.4308 9.6320 9.7001 9.8126 10.2308 10.4072 10.7411 10.9221 10.9463 11.1322 11.4387 11.5521 11.6495 11.8343 12.1380 12.2793 12.6157 12.6975 12.8289 13.1482 13.1697 13.4694 13.5938 13.7031 13.8728 13.9723 14.0673 14.2358 14.3513 14.4036 14.5459 14.7005 14.8572 14.8828 14.9627 15.0242 15.1511 15.3031 15.3340 15.4218 15.6035 15.7698 15.9112 15.9719 16.2066 16.3771 16.5123 16.7291 16.9122 17.1255 17.2159 17.4937 17.7484 17.7794 18.1341 18.2665 18.3208 18.7879 19.3218 19.5545 19.7069 19.9334 20.0859 20.1683 20.6392 20.7870 21.1124 21.5634 21.6485 21.8414 22.3589 22.5340 22.7183 22.9828 23.2009 23.4876 23.5297 23.7911 24.1290 24.2281 24.4353 24.8323 25.3294 25.5440 25.7693 25.8873 26.2455 26.3563 26.7454 26.9262 27.0141 27.0886 27.2759 27.6688 27.7149 27.9384 28.6223 28.7154 28.8934 29.0739 29.3953 29.4587 29.7975 30.0878 30.4928 30.5543 30.8796 31.0298 31.3999 31.4734 31.7915 31.9989 32.1587 32.4006 32.5706 32.7675 33.0115 33.0336 33.2213 33.4889 33.6488 33.9519 34.1487 34.2721 34.3994 34.5773 34.7658 34.8656 35.0247 35.1381 35.4815 35.9015 35.9316 36.0452 36.3224 36.5749 36.6934 36.8670 37.0307 37.2115 37.6768 37.8110 38.0501 38.2563 38.5473 38.7902 38.9130 39.1287 39.6279 39.8291 39.9318 40.0830 40.3173 40.4555 40.8545 41.0549 41.4147 41.5636 41.8487 42.0372 42.1722 42.4174 42.5166 42.5868 42.8642 42.9138 43.0223 43.3015 43.4273 43.5406 43.6265 43.8416 43.9783 44.2318 44.4125 44.4840 44.7324 44.9810 45.1619 45.5052 45.7078 45.7796 46.1454 46.3373 46.6223 46.7042 46.8879 47.2721 47.4539 47.9342 48.0626 48.4101 48.6384 48.8264 49.2236 49.3571 49.5579 50.0092 50.2149 50.7219 51.0051 51.3515 51.4704 51.5905 51.8614 52.2346 52.7302 53.0512 53.2754 53.4019 54.1899 54.3634 54.7950 55.0645 55.3824 56.0396 56.2105 56.9705 57.1883 57.8133 58.3513 58.7055 59.2513 59.6276 60.1947 60.3924 60.5082 60.7594 61.3277 61.6380 61.8972 62.3075 62.3856 62.8126 62.8731 63.4264 63.6928 64.0369 64.9338 65.4452 65.5024 66.1623 66.7043 67.4650 67.5463 68.2153 68.8091 69.4554 69.8159 70.4194 70.5041 70.9077 71.0724 71.5463 72.0288 72.0857 72.2211 72.3461 72.5860 72.9355 73.3454 73.4895 73.8993 73.9691 74.1153 74.5237 74.9215 75.4114 75.4755 75.6912 75.8605 75.9367 76.3973 76.5703 76.6758 77.0047 77.3646 77.5297 78.5278 78.9435 79.3142 79.7723 79.8857 80.3048 80.3351 80.6494 80.8420 80.8910 81.5742 81.6932 81.8657 82.0822 82.2170 82.4229 82.8180 82.9162 83.0741 83.4166 83.9337 84.1760 84.6525 84.8946 85.0000 85.1329 85.6010 85.7189 85.8390 86.2006 86.3599 86.5776 86.7200 86.9481 87.1501 87.3835 87.5420 87.7121 87.7669 87.9501 88.1646 88.2753 88.4058 88.6799 88.8080 89.1218 89.1887 89.3243 89.4487 89.5529 89.8568 89.9886 90.0970 90.2704 90.5313 90.7760 91.0150 91.1484 91.2492 91.4863 91.6098 91.9736 92.0313 92.3856 92.4630 92.6942 92.9218 93.0794 93.3414 93.5275 94.0777 94.2080 94.5605 94.6828 94.8164 94.8870 94.9797 95.5006 95.6811 95.9567 96.1310 96.5807 96.6883 97.1660 97.4128 97.7646 98.0659 98.2236 98.5123 98.9810 99.2049 99.6469 100.2513 100.4123 100.5523 100.9201 101.1415 101.3453 101.6528 101.9201 102.2036 102.6135 102.7654 103.0268 103.1343 103.2805 103.5308 103.6125 103.9632 104.3210 104.4985 104.8093 104.9329 105.1764 105.3191 105.4227 105.9513 106.2411 106.4185 106.9615 107.3758 107.6321 107.6978 108.0156 108.0490 108.3207 108.4969 109.0186 109.2701 109.4412 109.5569 109.8003 110.1051 110.3874 110.4447 110.7491 110.9115 110.9888 111.4196 111.4785 111.7285 112.1078 112.2950 112.7034 112.9027 113.1097 113.1919 113.4311 113.9248 114.1167 114.1693 114.4008 114.6884 114.8635 115.1010 115.3120 115.4971 115.6423 115.7839 115.9451 116.0456 116.5318 116.6549 116.8569 116.9147 117.0815 117.1908 117.4868 117.9629 118.4285 118.5694 118.9938 119.1832 119.3151 119.5901 119.7215 120.1383 120.4198 120.7231 120.9457 121.0682 121.2403 121.5836 121.6669 122.1951 122.3309 122.5577 122.7605 122.8928 123.2014 123.4703 123.7481 123.9397 124.3048 124.5780 124.8984 125.2523 125.7081 126.0348 126.4072 127.4549 127.7189 128.4490 128.5662 128.9483 129.1120 129.3781 129.5516 129.8241 130.2225 130.3720 130.4747 130.8738 131.3815 131.5343 131.8798 131.9730 132.8296 133.2089 133.3557 133.9577 134.0479 134.3524 134.8717 135.0481 135.5772 136.0459 136.2136 136.7588 136.8756 137.0343 137.7157 137.8498 138.4320 138.4754 138.5069 138.8975 139.2854 139.4399 139.9118 140.3888 140.6248 141.2313 141.4341 141.6119 141.8482 142.1132 142.3951 142.7231 142.9795 143.6520 144.2589 144.9320 145.4094 145.6771 146.4151 146.6883 146.7600 147.0911 147.2124 148.0129 148.5262 148.7290 149.0201 149.4543 149.5993 150.5380 150.7147 151.1925 151.2657 151.5620 152.7228 152.8114 153.3092 153.3766 153.5745 153.7518 153.9217 154.0492 154.3916 154.8710 154.9452 155.1400 155.3575 155.7585 155.9067 156.2830 156.4450 156.7810 157.3970 157.5073 157.9667 158.5013 158.7744 159.0463 159.4937 159.9945 160.1329 160.4691 161.1133 161.3401 162.4640 162.7167 163.4671 165.8976 167.8669 171.0169 176.9620 177.6112 182.7115 186.4983 187.2494 189.0496 189.2572 191.7795 193.7773 195.8973 198.0044 207.0400 245.4591 260.4531 260.9936 554.1341 620.3429 637.5609 638.7986 639.0966 639.9182 641.6047 641.6594 643.5718 644.0009 644.2838 646.4815 896.1735 1200.7199 -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 0.117080 -0.582648 -0.031941 -0.118865 -0.169374 -0.121046 -0.117904 -0.139069 -0.098553 -0.087437 -0.290166 0.306500 -0.281717 -0.046760 0.043869 0.080079 0.083406 0.076757 0.084176 0.053046 0.077822 0.092609 0.059230 0.071622 0.116820 0.107810 0.056479 0.063161 0.081141 0.080463 0.090743 0.163905 0.178760 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 15.8829 8.5826 7.0319 6.1189 6.1694 6.1210 6.1179 6.1391 6.0986 6.0874 6.2902 5.6935 6.2817 6.0468 0.9561 0.9199 0.9166 0.9232 0.9158 0.9470 0.9222 0.9074 0.9408 0.9284 0.8832 0.8922 0.9435 0.9368 0.9189 0.9195 0.9093 0.8361 0.8212 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 0.1171 -0.5826 -0.0319 -0.1189 -0.1694 -0.1210 -0.1179 -0.1391 -0.0986 -0.0874 -0.2902 0.3065 -0.2817 -0.0468 0.0439 0.0801 0.0834 0.0768 0.0842 0.0530 0.0778 0.0926 0.0592 0.0716 0.1168 0.1078 0.0565 0.0632 0.0811 0.0805 0.0907 0.1639 0.1788 2.5528 1.9121 3.0707 3.8670 3.9196 3.8606 3.7936 3.9084 3.8938 3.8605 3.9598 4.1664 3.9025 3.9421 1.0207 1.0147 1.0054 1.0090 1.0100 1.0212 1.0257 1.0115 1.0091 1.0088 1.0118 1.0026 1.0039 1.0010 1.0007 1.0000 1.0028 0.9992 0.9825 2.5528 1.9121 3.0707 3.8670 3.9196 3.8606 3.7936 3.9084 3.8938 3.8605 3.9598 4.1664 3.9025 3.9421 1.0207 1.0147 1.0054 1.0090 1.0100 1.0212 1.0257 1.0115 1.0091 1.0088 1.0118 1.0026 1.0039 1.0010 1.0007 1.0000 1.0028 0.9992 0.9825 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 1.0099 1.2336 1.7646 0.8754 1.1852 0.9529 0.9076 0.9986 1.0022 0.9091 1.0062 1.0139 0.9442 1.0025 1.0111 0.9184 1.0086 1.0006 0.9379 1.0111 1.0038 0.9961 1.0002 0.9416 0.9927 0.9940 0.9983 0.9973 1.0002 1.1177 1.7023 0.9759 0.9371 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 -0.016828365 -958.869171248096 20.02908 -19.87096 0.15812 -3.60240 3.77635 0.17394 2.28912 -4.51985 -2.23073 2.24309 5.70147