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:-2.0247,1.7761,.2321;-3.4631,-1.4498,-1.0729;-2.1323,.1092,-.0477;2.5678,-1.4887,-.8431;1.2992,-1.5718,.0019;3.2965,-.1464,-.7963;.2202,-.5833,-.422;3.7424,.3059,.5919;-1.0611,-.7743,.3761;4.7245,-.6404,1.2722;5.2471,-.0976,2.5934;-3.2354,-.2865,-.7639;-4.0405,.8898,-1.0592;-3.5044,2.028,-.5934;2.3114,-1.7091,-1.8843;3.2483,-2.2871,-.5337;1.5386,-1.4248,1.0602;.8994,-2.5879,-.0726;2.6663,.6312,-1.2382;4.1764,-.2107,-1.4449;.0009,-.7087,-1.4866;.5794,.4426,-.2968;2.8719,.4535,1.2406;4.208,1.2927,.5001;-.8802,-.6289,1.444;-1.4366,-1.7905,.2565;4.252,-1.6114,1.4465;5.566,-.8313,.598;5.7689,.852,2.456;4.435,.0754,3.3029;5.9479,-.7902,3.0628;-4.9694,.8283,-1.6056;-3.8982,3.0303,-.681; 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 990.7757217363 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 5.446e-05 Time for diagonalization 0.163 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.142 sec Total time needed 0.307 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:-2.0247,1.7761,.2321;-3.4631,-1.4498,-1.0729;-2.1323,.1092,-.0477;2.5678,-1.4887,-.8431;1.2992,-1.5718,.0019;3.2965,-.1464,-.7963;.2202,-.5833,-.422;3.7424,.3059,.5919;-1.0611,-.7743,.3761;4.7245,-.6404,1.2722;5.2471,-.0976,2.5934;-3.2354,-.2865,-.7639;-4.0405,.8898,-1.0592;-3.5044,2.028,-.5934;2.3114,-1.7091,-1.8843;3.2483,-2.2871,-.5337;1.5386,-1.4248,1.0602;.8994,-2.5879,-.0726;2.6663,.6312,-1.2382;4.1764,-.2107,-1.4449;.0009,-.7087,-1.4866;.5794,.4426,-.2968;2.8719,.4535,1.2406;4.208,1.2927,.5001;-.8802,-.6289,1.444;-1.4366,-1.7905,.2565;4.252,-1.6114,1.4465;5.566,-.8313,.598;5.7689,.852,2.456;4.435,.0754,3.3029;5.9479,-.7902,3.0628;-4.9694,.8283,-1.6056;-3.8982,3.0303,-.681; 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:-2.0247,1.7761,.2321;-3.4631,-1.4498,-1.0729;-2.1323,.1092,-.0477;2.5678,-1.4887,-.8431;1.2992,-1.5718,.0019;3.2965,-.1464,-.7963;.2202,-.5833,-.422;3.7424,.3059,.5919;-1.0611,-.7743,.3761;4.7245,-.6404,1.2722;5.2471,-.0976,2.5934;-3.2354,-.2865,-.7639;-4.0405,.8898,-1.0592;-3.5044,2.028,-.5934;2.3114,-1.7091,-1.8843;3.2483,-2.2871,-.5337;1.5386,-1.4248,1.0602;.8994,-2.5879,-.0726;2.6663,.6312,-1.2382;4.1764,-.2107,-1.4449;.0009,-.7087,-1.4866;.5794,.4426,-.2968;2.8719,.4535,1.2406;4.208,1.2927,.5001;-.8802,-.6289,1.444;-1.4366,-1.7905,.2565;4.252,-1.6114,1.4465;5.566,-.8313,.598;5.7689,.852,2.456;4.435,.0754,3.3029;5.9479,-.7902,3.0628;-4.9694,.8283,-1.6056;-3.8982,3.0303,-.681; 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 1376 GEPOL Volume 1752.8145 GEPOL Surface-area 947.8326 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.2s) Overall time for CPCM initialization 0.5s -958.86361512 990.77572174 -1949.63933686 -3275.75170382 1326.11236696 -0.02049845 -1914.37469898 955.51108386 2.00350863 58.000023298868 58.000023298868 116.000046597735 -75.345484344105 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 -2422.0886 -522.4553 -394.1164 -282.5937 -281.1081 -280.6493 -279.9496 -279.4576 -279.2897 -279.1783 -279.1684 -279.1404 -279.1255 -278.9889 -220.5066 -164.8823 -164.7106 -164.5952 -31.7196 -29.6046 -26.0797 -25.2189 -24.3962 -23.4086 -23.3291 -22.1650 -20.9039 -19.9013 -19.3794 -18.8409 -18.1401 -17.6320 -16.4926 -16.0226 -15.6500 -15.4066 -15.0071 -14.7626 -14.6937 -14.3986 -14.0745 -13.8582 -13.4922 -12.9978 -12.7649 -12.7135 -12.5205 -12.2751 -12.1092 -11.6839 -11.5630 -11.3827 -10.8987 -10.8127 -10.6368 -10.0593 -10.0269 -8.4932 1.0157 1.6545 3.1655 3.6186 3.7256 3.9491 4.0648 4.1212 4.3483 4.4784 4.5453 4.7251 5.2107 5.4418 5.4741 5.5654 5.5962 5.7679 5.8773 6.1126 6.2142 6.2759 6.6699 6.7507 6.9575 7.0769 7.1467 7.4785 7.5801 7.7052 7.7817 7.9440 8.0621 8.2762 8.3957 8.4719 8.7606 8.9417 9.0708 9.3160 9.4288 9.6304 9.7365 10.0230 10.1467 10.4538 10.4576 10.9158 10.9969 11.1815 11.2902 11.4100 11.4960 11.7475 11.9244 12.4165 12.5344 12.6496 12.7265 12.8847 13.3234 13.3965 13.4099 13.5548 13.6262 13.7897 13.9930 14.1003 14.1737 14.2964 14.4041 14.5308 14.7244 14.7847 14.8566 15.0052 15.0636 15.1199 15.2567 15.4452 15.5237 15.5519 15.8841 15.9375 16.2420 16.3455 16.5347 16.5816 16.8717 17.0099 17.0666 17.4215 17.4977 17.7949 17.9476 18.1426 18.4743 18.6801 18.8018 18.9682 19.3068 19.6082 19.8690 20.0652 20.2663 20.6510 20.7429 21.0391 21.1631 22.0025 22.1806 22.4532 22.6859 22.8844 23.0121 23.2083 23.3850 23.6079 23.8364 23.9385 24.2367 24.5986 24.8323 25.1646 25.4087 25.6487 26.0042 26.4593 26.4929 26.6003 26.6677 27.0730 27.3597 27.5080 27.7002 27.7448 28.1927 28.3241 28.5712 28.9482 29.1940 29.4783 29.7508 30.0050 30.1264 30.3448 30.5679 30.7744 30.8409 31.2776 31.3364 31.6609 31.6986 31.8864 32.2164 32.3574 32.4652 32.6986 32.9085 33.2204 33.3058 33.4891 33.5550 33.8558 34.3206 34.3524 34.5052 34.9595 35.0852 35.1248 35.2214 35.3920 35.5314 35.7716 36.0238 36.2605 36.7067 36.8682 37.1829 37.3017 37.3974 37.7724 37.9340 38.1219 38.6663 38.7246 38.8484 38.9093 39.5186 39.8167 40.1273 40.3590 40.4564 40.7752 40.8647 41.0720 41.3604 41.5247 41.6889 41.9142 41.9328 42.0924 42.1829 42.3031 42.4640 42.7047 42.8424 42.9664 43.0205 43.1332 43.5517 43.6101 43.7400 44.0487 44.2881 44.3257 44.5130 44.5211 44.8036 44.8981 45.5076 45.7230 45.8209 45.9362 46.2907 46.4450 46.6290 46.9512 47.0630 47.2100 47.5438 47.6652 48.1725 48.4439 48.7623 49.0727 49.4299 49.6274 49.9041 50.1319 50.4214 50.7890 50.9069 51.1472 51.3353 51.5255 51.8918 52.1273 52.5200 52.6060 53.0609 54.0951 54.6043 54.7673 55.0707 56.0329 56.7594 56.8139 57.1804 58.1890 58.4859 58.9225 59.2060 59.5433 59.7387 59.9732 60.1735 60.4542 60.9329 61.1980 61.3712 61.5724 62.1691 62.5189 62.8387 63.1539 63.7125 64.1513 64.3090 65.3214 66.0994 66.4457 67.1183 67.5815 67.9118 68.2817 68.9477 69.3412 69.5705 70.3499 70.5747 70.8127 71.3665 71.7055 71.7582 71.8572 72.0899 72.3664 72.5437 72.7901 72.9746 73.3560 73.4758 73.8939 73.9749 74.3510 74.7193 74.9070 75.3885 75.8178 75.9883 76.0925 76.3011 76.7982 77.1340 77.3344 77.7918 78.0982 78.8602 79.1865 79.2779 79.6037 79.9288 80.1878 80.4486 80.5261 80.7585 80.9306 81.1780 81.5921 81.6833 81.8082 82.0659 82.1438 82.1942 82.6595 83.0461 83.3604 83.4629 84.0427 84.2743 84.7006 84.7425 84.8151 85.2449 85.4069 85.7013 85.9624 86.2280 86.6573 86.8105 86.9369 87.0678 87.1480 87.3726 87.4339 87.7903 87.8331 88.1106 88.2327 88.4523 88.6026 88.8017 88.9679 89.1016 89.3801 89.4041 89.7427 89.7866 89.9913 90.0358 90.2085 90.2922 90.6064 90.6503 90.7763 91.1196 91.1692 91.2797 91.6312 91.8384 92.2662 92.5011 92.6349 92.6970 93.2113 93.4355 93.5523 93.6422 93.9288 94.0613 94.3317 94.6787 94.9158 95.1909 95.2848 95.7239 95.8356 96.3853 96.4398 97.0199 97.1889 97.6372 97.8979 98.0553 98.2452 98.6681 98.9843 99.2918 99.7227 100.0325 100.3455 100.4170 100.7029 101.1715 101.3942 101.4826 101.9130 102.2446 102.4413 102.5813 102.9672 103.3590 103.5821 103.6607 103.8926 104.0086 104.2546 104.5354 104.8897 105.0062 105.1924 105.5022 105.5291 106.0118 106.4927 107.0333 107.2460 107.4836 107.5301 107.7391 108.1549 108.2704 108.4073 108.5426 108.7163 108.8925 109.1213 109.4295 109.5430 109.8007 110.0299 110.5009 110.6109 110.7263 111.0006 111.1169 111.4988 111.7370 111.8609 112.0439 112.3268 112.4893 113.1133 113.1499 113.3857 113.5127 113.7042 114.0506 114.1384 114.2971 114.7265 114.8162 114.9768 115.1838 115.3105 115.4254 115.6921 116.1798 116.3242 116.6201 116.6770 116.8441 117.2765 117.4749 117.6716 118.2310 118.5860 118.7881 118.9313 119.1935 119.4141 119.6398 120.0389 120.0988 120.2790 120.6661 120.7873 121.1545 121.2305 121.3799 121.5166 121.9138 122.3380 122.4793 122.6300 122.9463 123.1331 123.2455 123.7088 123.9379 124.1334 124.5543 125.2387 125.5898 125.8670 126.7207 127.0646 127.3329 127.5798 127.9546 128.5275 129.0429 129.3761 129.5695 129.9492 130.1339 130.4960 130.7473 130.9745 131.0415 131.3562 131.6172 132.2409 132.4373 132.6294 133.1367 133.5863 134.0647 134.3741 134.8475 135.1976 135.5757 135.9553 136.0957 136.3435 136.6243 137.1313 137.2488 137.5026 137.6241 137.9494 138.0774 138.3709 138.6276 139.0519 139.5640 139.7597 139.7733 140.4671 141.0063 141.2222 141.4812 142.0408 142.4167 142.8793 143.1841 143.4111 144.2711 144.4474 145.3310 145.7836 146.1428 146.6430 146.7519 147.1075 147.3803 147.9924 148.7805 148.9716 149.1141 149.3199 149.5029 149.6652 149.8102 150.4202 151.0351 152.0247 152.4472 152.5458 152.8179 153.0620 153.2822 153.4899 153.6930 153.8416 154.2198 154.3635 154.4931 154.9099 155.1551 155.3064 155.5520 156.1224 156.3824 156.9155 157.1509 157.4424 157.7820 158.4960 158.5428 158.9914 159.4881 159.7641 160.0473 160.5214 160.5723 160.9523 161.6673 161.9098 162.3572 164.5883 167.4456 170.8798 176.8803 177.1508 182.4851 186.1533 186.6622 188.6361 189.0673 189.5755 193.6004 195.6692 197.8404 207.0372 244.2778 259.8882 260.5574 552.4930 617.7639 636.8868 637.0143 637.5309 640.2156 640.9576 642.0737 643.1580 643.3714 644.0838 646.0755 895.9685 1198.9010 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 0.113254 -0.549792 -0.069648 -0.167897 -0.142070 -0.160108 -0.099808 -0.125108 -0.086957 -0.089154 -0.279465 0.317403 -0.270756 -0.069422 0.080599 0.083559 0.069648 0.088511 0.078805 0.077904 0.081303 0.064172 0.061430 0.074282 0.126415 0.097247 0.057210 0.060027 0.077583 0.078418 0.090379 0.159500 0.172537 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 15.8867 8.5498 7.0696 6.1679 6.1421 6.1601 6.0998 6.1251 6.0870 6.0892 6.2795 5.6826 6.2708 6.0694 0.9194 0.9164 0.9304 0.9115 0.9212 0.9221 0.9187 0.9358 0.9386 0.9257 0.8736 0.9028 0.9428 0.9400 0.9224 0.9216 0.9096 0.8405 0.8275 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 0.1133 -0.5498 -0.0696 -0.1679 -0.1421 -0.1601 -0.0998 -0.1251 -0.0870 -0.0892 -0.2795 0.3174 -0.2708 -0.0694 0.0806 0.0836 0.0696 0.0885 0.0788 0.0779 0.0813 0.0642 0.0614 0.0743 0.1264 0.0972 0.0572 0.0600 0.0776 0.0784 0.0904 0.1595 0.1725 2.5543 1.9662 3.0840 3.8961 3.8798 3.8952 3.8415 3.8601 3.7955 3.8594 3.9484 4.2125 3.9143 3.9937 1.0091 1.0014 1.0052 1.0104 1.0019 1.0087 1.0169 1.0150 1.0021 1.0095 1.0004 1.0348 1.0045 1.0074 1.0016 1.0003 1.0036 0.9985 0.9861 2.5543 1.9662 3.0840 3.8961 3.8798 3.8952 3.8415 3.8601 3.7955 3.8594 3.9484 4.2125 3.9143 3.9937 1.0091 1.0014 1.0052 1.0104 1.0019 1.0087 1.0169 1.0150 1.0021 1.0095 1.0004 1.0348 1.0045 1.0074 1.0016 1.0003 1.0036 0.9985 0.9861 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 1.0007 1.2591 1.8213 0.8509 1.1864 0.9266 0.9235 1.0102 1.0143 0.9209 1.0076 1.0039 0.9348 1.0131 1.0087 0.9004 0.9982 1.0177 0.9323 1.0028 1.0010 1.0048 0.9946 0.9401 0.9976 1.0022 0.9975 0.9947 1.0004 1.1163 1.7316 0.9684 0.9374 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 -0.012637228 -958.876252350824 35.09535 -34.20314 0.89220 -6.60215 8.38322 1.78107 5.71626 -5.12966 0.58660 2.07661 5.27833