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:-1.2494,1.3838,-.6368;-3.9325,-1.2306,-.2815;-1.9832,-.1368,-.7681;1.6433,-.8684,-.1232;.4529,-1.3897,.6722;2.6985,-.2078,.7544;-.5937,-2.1187,-.1636;3.8732,.3422,-.0456;-1.2479,-1.2914,-1.2614;4.9313,1.0487,.7966;5.6768,.1269,1.7515;-3.2627,-.1986,-.2844;-3.6508,1.1206,.1836;-2.674,2.0332,.0533;1.3151,-.1455,-.878;2.096,-1.6952,-.6812;-.0106,-.5651,1.2228;.8151,-2.0832,1.4366;3.0502,-.9324,1.4953;2.2371,.608,1.3222;-1.3729,-2.5176,.49;-.1334,-2.9827,-.6519;3.491,1.0428,-.7947;4.3444,-.4721,-.6072;-1.9527,-1.9064,-1.8204;-.5129,-.9421,-1.987;5.6533,1.5263,.1289;4.4623,1.8601,1.362;5.0153,-.3141,2.4983;6.1561,-.6934,1.2128;6.458,.6645,2.2906;-4.6284,1.3239,.593;-2.7043,3.0782,.3246; 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 1010.6109301270 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 4.335e-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 0.109 sec Total time needed 0.276 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:-1.2494,1.3838,-.6368;-3.9325,-1.2306,-.2815;-1.9832,-.1368,-.7681;1.6433,-.8684,-.1232;.4529,-1.3897,.6722;2.6985,-.2078,.7544;-.5937,-2.1187,-.1636;3.8732,.3422,-.0456;-1.2479,-1.2914,-1.2614;4.9313,1.0487,.7966;5.6768,.1269,1.7515;-3.2627,-.1986,-.2844;-3.6508,1.1206,.1836;-2.674,2.0332,.0533;1.3151,-.1455,-.878;2.096,-1.6952,-.6812;-.0106,-.5651,1.2228;.8151,-2.0832,1.4366;3.0502,-.9324,1.4953;2.2371,.608,1.3222;-1.3729,-2.5176,.49;-.1334,-2.9826,-.6518;3.491,1.0428,-.7947;4.3444,-.4721,-.6072;-1.9527,-1.9064,-1.8204;-.5129,-.9421,-1.987;5.6533,1.5263,.1289;4.4623,1.8601,1.362;5.0153,-.3141,2.4983;6.1561,-.6934,1.2128;6.458,.6645,2.2906;-4.6284,1.3239,.593;-2.7043,3.0782,.3246; 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:-1.2494,1.3838,-.6368;-3.9325,-1.2306,-.2815;-1.9832,-.1368,-.7681;1.6433,-.8684,-.1232;.4529,-1.3897,.6722;2.6985,-.2078,.7544;-.5937,-2.1187,-.1636;3.8732,.3422,-.0456;-1.2479,-1.2914,-1.2614;4.9313,1.0487,.7966;5.6768,.1269,1.7515;-3.2627,-.1986,-.2844;-3.6508,1.1206,.1836;-2.674,2.0332,.0533;1.3151,-.1455,-.878;2.096,-1.6952,-.6812;-.0106,-.5651,1.2228;.8151,-2.0832,1.4366;3.0502,-.9324,1.4953;2.2371,.608,1.3222;-1.3729,-2.5176,.49;-.1334,-2.9827,-.6519;3.491,1.0428,-.7947;4.3444,-.4721,-.6072;-1.9527,-1.9064,-1.8204;-.5129,-.9421,-1.987;5.6533,1.5263,.1289;4.4623,1.8601,1.362;5.0153,-.3141,2.4983;6.1561,-.6934,1.2128;6.458,.6645,2.2906;-4.6284,1.3239,.593;-2.7043,3.0782,.3246; 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 1323 GEPOL Volume 1726.3663 GEPOL Surface-area 919.6236 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.2s) Overall time for CPCM initialization 0.5s -958.85566527 1010.61093013 -1969.46659539 -3315.43595992 1345.96936453 -0.02636683 -1914.37724192 955.52157665 2.00348929 58.000154012504 58.000154012504 116.000308025008 -75.349414565733 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 -2422.1318 -522.5487 -394.1726 -282.6315 -281.0990 -280.6463 -279.9499 -279.3928 -279.2317 -279.1777 -279.1515 -279.1075 -279.0970 -278.9427 -220.5462 -164.9230 -164.7477 -164.6361 -31.7727 -29.6356 -26.0907 -25.1415 -24.4212 -23.4305 -23.3499 -22.1429 -20.9821 -19.7103 -19.4948 -18.7772 -18.1707 -17.6151 -16.5649 -16.0666 -15.5932 -15.4669 -14.9215 -14.8106 -14.5837 -14.4791 -14.0123 -13.9210 -13.5921 -12.9177 -12.8533 -12.6833 -12.4722 -12.3467 -11.9201 -11.7705 -11.4578 -11.2229 -11.0204 -10.9308 -10.5350 -10.1752 -10.0585 -8.5373 0.9993 1.6116 3.3263 3.5622 3.6973 3.8596 4.0814 4.2188 4.3124 4.5756 4.6195 4.8421 5.1039 5.3645 5.4690 5.4955 5.6006 5.7847 5.8420 6.0091 6.2362 6.5349 6.5944 6.7326 7.0919 7.1615 7.2755 7.3762 7.4995 7.6002 7.8000 7.9895 8.3123 8.4216 8.6136 8.7406 8.8377 8.9974 9.1542 9.3468 9.5155 9.5539 9.7793 10.1245 10.1936 10.2620 10.4804 10.8570 10.9727 11.0643 11.2442 11.4320 11.5526 11.9571 12.1031 12.3249 12.6542 12.7806 13.1247 13.2242 13.2451 13.2915 13.5036 13.6719 13.7006 13.7980 13.9352 14.0318 14.1109 14.4031 14.4440 14.5378 14.6124 14.6240 14.7996 14.8563 15.0804 15.0960 15.1688 15.5507 15.5926 15.8407 16.0225 16.1686 16.3803 16.3938 16.7471 16.8105 16.8514 17.0990 17.1920 17.5132 17.5249 17.8846 17.9524 18.3341 18.6354 18.7693 18.8868 19.1449 19.4575 19.6112 19.6742 19.9240 20.4490 20.7224 20.8711 21.1848 21.4026 21.6371 21.8802 22.2593 22.5762 22.7339 23.1789 23.3187 23.4864 23.7287 23.8264 23.8620 24.1758 24.5321 24.6598 25.1400 25.2302 25.6521 25.7424 26.0958 26.5171 26.8263 26.9128 27.2053 27.3984 27.8143 27.9404 28.1615 28.2174 28.5507 28.7931 29.1276 29.2800 29.6517 29.8708 30.1576 30.2494 30.6189 30.7109 30.8150 31.0512 31.2231 31.8207 31.9017 32.1169 32.1867 32.2953 32.6507 32.7574 32.8500 33.0041 33.1577 33.2977 33.5412 33.8087 33.9727 34.1153 34.1853 34.4500 34.5517 34.6549 34.9692 35.2684 35.4991 35.6460 35.9004 35.9467 36.1065 36.5322 36.7767 36.8969 37.3628 37.5132 37.7316 38.0699 38.3110 38.5035 38.6743 39.0833 39.2955 39.5551 39.5791 39.9646 40.1727 40.3085 40.4000 40.6631 40.7881 41.0979 41.2716 41.3833 41.7289 41.8198 42.0340 42.1858 42.2714 42.5224 42.6865 42.9374 42.9944 43.0516 43.1469 43.5069 43.6343 43.7636 43.8856 44.1887 44.4446 44.5713 44.6697 44.8391 45.2542 45.3862 45.4648 45.7152 46.1199 46.4312 46.6673 46.8761 46.9769 47.1299 47.3515 47.5159 47.9911 48.3630 48.5733 48.9409 49.2423 49.2745 49.3897 49.8589 50.0063 50.1756 50.4597 50.8744 51.2587 51.4178 51.6852 51.9768 52.1983 52.5531 53.4581 53.5654 54.1980 54.7563 55.1995 55.6020 56.2570 56.5242 57.0158 57.4146 57.9229 58.2991 58.5908 59.4399 59.7082 59.9048 60.2385 60.5554 60.7953 61.3398 61.4639 61.6743 61.9324 62.1727 62.5033 62.7061 63.0949 63.9809 64.2733 64.6607 65.1298 65.4253 66.4799 66.7773 67.6136 67.8472 68.3693 68.4838 69.3638 69.9055 70.3242 70.7678 71.0451 71.2534 71.5261 71.5921 72.0923 72.2825 72.4860 72.6354 72.9523 73.0091 73.2498 73.5948 73.9924 74.3626 74.4539 74.5728 74.6908 75.2591 75.4444 75.8259 76.0634 76.1779 76.4505 76.9825 77.3041 77.3689 78.3089 78.7681 79.1748 79.2733 79.4641 79.6224 80.2921 80.4071 80.6336 80.9854 81.1729 81.3878 81.6386 81.8351 81.9059 81.9227 82.0585 82.3627 82.6409 83.2173 83.5335 83.7181 84.1286 84.2483 84.4982 84.9002 84.9368 85.4396 85.5057 86.0671 86.1959 86.3344 86.5187 86.8219 86.9313 86.9982 87.2770 87.4084 87.5693 87.7152 87.8809 88.0254 88.2714 88.3034 88.5237 88.5647 88.7851 88.9283 89.1630 89.2560 89.3812 89.7300 89.9921 90.1318 90.3729 90.4355 90.5799 90.7841 90.7994 90.9564 91.1199 91.3469 91.7222 91.8982 92.1440 92.1994 92.6102 92.7665 92.9319 93.1121 93.2444 93.4185 93.6906 94.1052 94.3475 94.5373 94.8906 95.2355 95.4684 95.7827 95.9645 96.3857 96.5560 96.7748 97.3697 97.7250 97.8047 98.5691 98.6799 99.0411 99.0924 99.5502 99.7936 100.1359 100.4335 100.7884 100.8792 101.2840 101.4828 101.7416 101.8921 102.0709 102.3447 102.6645 102.8115 103.1877 103.3605 103.5832 103.8620 103.8925 104.2504 104.4684 104.5640 104.6164 104.9051 105.1717 105.6017 105.9550 106.4958 106.6601 106.8281 107.5343 107.6721 107.9319 108.0781 108.2707 108.4265 108.5950 108.8266 108.8717 108.9730 109.1921 109.6945 110.1362 110.2721 110.3680 110.8689 110.9701 111.1605 111.4123 111.5211 111.6856 111.8178 112.0676 112.3593 112.5955 112.7674 113.1036 113.3720 113.7051 113.8841 114.0696 114.4660 114.6788 114.7942 115.1470 115.2035 115.3572 115.5008 115.6129 115.9301 116.0251 116.1485 116.5446 116.7084 116.8522 117.0439 117.4636 117.6916 118.1033 118.6778 118.7855 118.9681 119.2072 119.2767 119.4016 119.6673 120.1019 120.3370 120.5824 120.8437 120.9295 121.3239 121.7401 121.8100 121.8566 122.1353 122.5237 122.5881 122.6371 122.9573 123.2859 123.4746 123.5229 123.8692 124.3182 124.6843 125.4034 126.0401 126.4498 126.5335 126.8893 127.3750 127.8501 128.4363 128.7227 128.8582 129.0787 129.6914 129.8730 130.1498 130.5990 130.8344 131.1990 131.5202 131.7567 131.9606 132.0152 132.4001 132.7586 133.6720 133.6909 134.4147 134.8872 135.4259 135.6846 135.7596 135.9427 136.1239 136.5520 136.6655 137.0227 137.6367 137.9231 138.2599 138.5494 138.9062 139.3321 139.5113 139.7522 140.0206 140.3320 140.7817 141.3212 141.5629 141.7100 142.1086 142.6375 143.0884 143.4984 144.2829 144.5424 144.6264 145.1741 145.5201 145.7693 146.0802 146.5254 147.4880 147.6820 147.8822 148.4444 148.7302 149.0513 149.2751 149.6459 150.2710 150.4303 151.0353 151.4983 151.6280 151.7980 152.0337 152.6762 152.7474 153.0098 153.1726 153.2749 153.8306 154.0819 154.4550 154.8676 154.9170 155.3564 155.6668 155.7789 155.8983 156.2943 156.6532 157.1831 157.5103 157.6607 158.1569 158.3834 159.0410 159.4509 159.6220 159.9508 160.3420 160.9060 161.3796 161.6147 162.2214 162.4518 164.6765 167.1598 170.5422 176.6609 176.9008 182.2729 186.8225 187.5162 188.5691 188.8530 190.3424 193.7637 195.4644 197.6777 207.0153 245.3152 259.5240 261.0365 554.1335 617.9030 636.2953 637.0663 638.7766 639.3467 640.6167 641.6182 642.3652 642.6475 643.7477 646.5434 896.3565 1199.1478 -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 0.113612 -0.595396 -0.048159 -0.133938 -0.148431 -0.111362 -0.113854 -0.107050 -0.126579 -0.112950 -0.277513 0.349547 -0.284303 -0.054136 0.051702 0.075831 0.073032 0.082295 0.066167 0.055659 0.084483 0.079632 0.067696 0.060375 0.110453 0.128661 0.070600 0.053911 0.078963 0.079220 0.091432 0.162777 0.177624 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 15.8864 8.5954 7.0482 6.1339 6.1484 6.1114 6.1139 6.1071 6.1266 6.1129 6.2775 5.6505 6.2843 6.0541 0.9483 0.9242 0.9270 0.9177 0.9338 0.9443 0.9155 0.9204 0.9323 0.9396 0.8895 0.8713 0.9294 0.9461 0.9210 0.9208 0.9086 0.8372 0.8224 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 0.1136 -0.5954 -0.0482 -0.1339 -0.1484 -0.1114 -0.1139 -0.1071 -0.1266 -0.1129 -0.2775 0.3495 -0.2843 -0.0541 0.0517 0.0758 0.0730 0.0823 0.0662 0.0557 0.0845 0.0796 0.0677 0.0604 0.1105 0.1287 0.0706 0.0539 0.0790 0.0792 0.0914 0.1628 0.1776 2.5673 1.9029 3.0631 3.8647 3.8816 3.8569 3.8385 3.8767 3.8714 3.8983 3.9265 4.1612 3.9349 3.9895 1.0029 1.0134 1.0046 1.0148 1.0102 1.0121 1.0229 1.0154 1.0106 1.0084 1.0230 0.9909 1.0064 1.0082 0.9991 1.0006 1.0042 0.9975 0.9832 2.5673 1.9029 3.0631 3.8647 3.8816 3.8569 3.8385 3.8767 3.8714 3.8983 3.9265 4.1612 3.9349 3.9895 1.0029 1.0134 1.0046 1.0148 1.0102 1.0121 1.0229 1.0154 1.0106 1.0084 1.0230 0.9909 1.0064 1.0082 0.9991 1.0006 1.0042 0.9975 0.9832 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.9921 1.2642 1.7515 0.8529 1.1906 0.9182 0.9297 1.0187 0.9992 0.9330 1.0140 1.0029 0.9257 1.0107 1.0005 0.9150 1.0105 1.0093 0.9438 1.0054 1.0112 0.9929 1.0012 0.9325 1.0099 1.0084 0.9937 0.9920 0.9977 1.1267 1.7245 0.9685 0.9361 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 -0.013278852 -958.868944119924 31.86204 -30.15495 1.70709 -4.94707 6.52902 1.58195 6.59004 -6.68881 -0.09877 2.32948 5.92107