Orca 5.0.2 RELEASE 1 2 3 4 5 14s9p3d1f 14s9p3d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s5p3d1f 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 S S P O O 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 1 2 3 3 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 5 223.18816099999987 AuxInfo=1/0/N:10,11,13,8,9,12,6,7,5,4,3,1,2/E:(1,2)(4,5)(7,8)(12,13)/CRV:9.1,11.4/rA:32nSSP4OO1CCCCCCCCHHHHHHHHHHHHHHHHHHH/rB:;s1s2;s3;s3;s1;s2;s6;s7;s8;s9;s4;s12;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s13;s13;s13;/rC:.9258,.1832,1.2834;-1.0362,.9289,-1.3962;.1234,-.5357,-.5006;-.9342,-1.5937,.0658;1.1195,-1.0261,-1.4881;2.3624,1.1232,.6429;-2.0898,1.5747,-.0465;3.6204,.2822,.531;-3.3882,.8129,.1442;4.805,1.1195,.0729;-4.2343,1.4413,1.2418;-.4824,-2.8824,.5495;-.5186,-3.9179,-.5448;2.4988,1.9382,1.3555;2.0914,1.5824,-.3096;-2.2875,2.6092,-.3338;-1.4959,1.6105,.8689;3.8404,-.1706,1.5003;3.4513,-.5377,-.1682;-3.9457,.8052,-.7949;-3.1765,-.2275,.3929;4.6241,1.5708,-.9041;5.7036,.5071,-.0103;5.0212,1.9258,.7761;-4.4917,2.4759,1.0079;-3.7124,1.4376,2.2004;-5.1675,.8928,1.3746;-1.1639,-3.141,1.3588;.519,-2.7995,.9797;.1745,-3.6788,-1.351;-.2287,-4.8845,-.1304;-1.5196,-4.0212,-.964; 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 functions 852 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 130 Dim 702 ENuc 1273.8879614158 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR 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 SHARK and LIBINT hybrid scheme 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 1.649e-04 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 0.095 sec Total time needed 0.246 sec 16 16 15 8 8 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 1 223.18816099999987 AuxInfo=1/0/N:10,11,13,8,9,12,6,7,5,4,3,1,2/E:(1,2)(4,5)(7,8)(12,13)/CRV:9.1,11.4/rA:32nSSP4OO1CCCCCCCCHHHHHHHHHHHHHHHHHHH/rB:;s1s2;s3;s3;s1;s2;s6;s7;s8;s9;s4;s12;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s13;s13;s13;/rC:.9258,.1832,1.2834;-1.0362,.9289,-1.3962;.1234,-.5357,-.5006;-.9342,-1.5937,.0658;1.1195,-1.0261,-1.4881;2.3624,1.1232,.6429;-2.0898,1.5747,-.0465;3.6204,.2822,.531;-3.3882,.8129,.1442;4.805,1.1195,.0729;-4.2343,1.4413,1.2418;-.4824,-2.8824,.5495;-.5186,-3.9179,-.5448;2.4988,1.9382,1.3555;2.0914,1.5824,-.3096;-2.2875,2.6092,-.3338;-1.4959,1.6105,.8689;3.8404,-.1706,1.5003;3.4513,-.5377,-.1682;-3.9457,.8052,-.7949;-3.1765,-.2275,.3929;4.6241,1.5708,-.9041;5.7036,.5071,-.0103;5.0212,1.9258,.7761;-4.4917,2.4759,1.0079;-3.7124,1.4376,2.2004;-5.1675,.8928,1.3746;-1.1639,-3.141,1.3588;.519,-2.7995,.9797;.1745,-3.6788,-1.351;-.2287,-4.8845,-.1304;-1.5196,-4.0212,-.964; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "1-OCTANOL" 223.18816099999987 AuxInfo=1/0/N:10,11,13,8,9,12,6,7,5,4,3,1,2/E:(1,2)(4,5)(7,8)(12,13)/CRV:9.1,11.4/rA:32nSSP4OO1CCCCCCCCHHHHHHHHHHHHHHHHHHH/rB:;s1s2;s3;s3;s1;s2;s6;s7;s8;s9;s4;s12;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s13;s13;s13;/rC:.9258,.1832,1.2834;-1.0362,.9289,-1.3962;.1234,-.5357,-.5006;-.9342,-1.5937,.0658;1.1195,-1.0261,-1.4881;2.3624,1.1232,.6429;-2.0898,1.5747,-.0465;3.6204,.2822,.531;-3.3882,.8129,.1442;4.805,1.1195,.0729;-4.2343,1.4413,1.2418;-.4824,-2.8824,.5495;-.5186,-3.9179,-.5448;2.4988,1.9382,1.3555;2.0914,1.5824,-.3096;-2.2875,2.6092,-.3338;-1.4959,1.6105,.8689;3.8404,-.1706,1.5003;3.4513,-.5377,-.1682;-3.9457,.8052,-.7949;-3.1765,-.2275,.3929;4.6241,1.5708,-.9041;5.7036,.5071,-.0103;5.0212,1.9258,.7761;-4.4917,2.4759,1.0079;-3.7124,1.4376,2.2004;-5.1675,.8928,1.3746;-1.1639,-3.141,1.3588;.519,-2.7995,.9797;.1745,-3.6788,-1.351;-.2287,-4.8845,-.1304;-1.5196,-4.0212,-.964; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM S P O C H 2.4900 2.1200 1.6280 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! ( 0.0s) GEPOL surface points 1909 GEPOL Volume 1861.5748 GEPOL Surface-area 1040.6605 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.2s) Overall time for CPCM initialization 0.3s -1604.69200308 1273.88796142 -2878.57996450 -4741.80658849 1863.22662399 -0.01997629 -3204.99591361 1600.30391052 2.00274204 64.999970174594 64.999970174594 129.999940349187 -101.613133094848 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 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 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 -2420.6899 -2420.6593 -2102.6703 -524.4054 -522.6216 -281.2332 -280.5119 -280.5079 -279.4871 -279.4634 -279.2365 -279.1403 -279.1137 -219.2343 -219.2075 -183.9758 -163.5447 -163.5142 -163.4470 -163.4215 -163.3275 -163.3029 -133.7203 -133.6974 -133.6555 -32.2320 -29.8267 -25.5180 -25.2651 -24.1510 -23.5213 -23.2657 -21.3410 -20.7278 -20.2909 -19.0563 -18.9904 -17.8641 -16.3795 -16.0365 -15.6785 -15.5103 -15.1183 -14.4761 -14.2541 -14.1218 -13.9076 -13.7133 -13.5428 -13.3811 -13.0011 -12.8500 -12.5744 -12.0878 -12.0258 -11.9897 -11.6955 -11.5956 -11.4912 -11.3308 -11.2757 -10.8498 -10.2485 -9.7004 -9.2446 1.7711 2.2126 3.0657 3.3053 3.6704 3.8715 4.0000 4.1385 4.1485 4.2510 4.4977 4.6892 4.7508 4.9449 5.0537 5.2203 5.4419 5.5935 5.7014 5.8603 6.0613 6.0833 6.1729 6.2238 6.3353 6.4288 6.5466 6.8443 7.0329 7.4205 7.5391 7.6705 7.7901 8.0553 8.1548 8.3075 8.4561 8.7423 8.8798 8.9417 9.1254 9.3116 9.5347 9.6311 9.8441 10.0257 10.2535 10.3216 10.5606 10.5913 10.8141 11.1746 11.4565 11.6305 11.8956 12.2904 12.4465 12.8049 12.9243 12.9517 13.1639 13.3692 13.4786 13.6744 13.6991 13.8590 13.9250 14.1497 14.2522 14.2925 14.5221 14.6500 14.6952 14.7535 14.8678 14.9570 15.1098 15.2415 15.3728 15.4402 15.5521 15.6583 15.7609 15.8582 15.9370 16.0162 16.2639 16.5154 16.7704 17.0900 17.3229 17.4406 17.5832 17.8078 17.8669 17.9973 18.4723 18.5532 18.5970 18.8299 18.9225 19.0737 19.2709 19.4802 19.6386 20.3329 20.4531 21.1885 21.5401 21.7422 22.3784 22.5153 22.6550 22.9224 23.5082 23.5666 23.7257 24.1251 24.2662 24.4540 24.6532 24.9591 25.2036 25.3266 25.5750 25.9365 25.9593 26.1197 26.4584 26.6348 27.0133 27.3172 27.7308 27.8505 27.9702 28.0682 28.2909 28.3604 28.6929 28.9615 29.1857 29.3872 29.5304 29.7903 29.8545 30.1427 30.4824 30.6259 30.7684 30.8746 31.3168 31.5123 31.7997 32.0421 32.1836 32.2396 32.4489 32.5473 32.9134 33.1060 33.2138 33.4070 33.7685 34.0388 34.1065 34.4001 34.5433 34.7512 34.8430 35.2632 35.3676 35.4358 35.5516 35.7561 36.0986 36.5083 36.5677 37.1735 37.2649 37.9606 38.0132 38.1099 38.2210 38.6321 38.9011 39.1750 39.4810 39.5542 39.8101 40.0219 40.3191 40.5510 40.8359 40.9708 41.0893 41.3314 41.4116 41.5597 41.6618 41.6909 41.9118 42.0428 42.1655 42.2731 42.3713 42.6332 42.6886 42.8102 43.0046 43.0623 43.1544 43.3606 43.6430 43.7791 44.0917 44.1679 44.3588 44.6024 44.9024 45.1185 45.2381 45.4903 45.6107 45.7746 45.9549 46.1781 46.2144 46.2955 46.3884 46.6400 46.8402 47.2575 47.4674 47.7424 47.9887 48.4209 48.5555 48.8930 49.0083 49.4317 49.6495 50.1581 50.4232 50.8919 51.7508 52.2196 52.6654 52.7732 53.3577 53.6119 53.6235 54.0872 54.4771 54.6289 54.6966 55.1975 55.4937 56.3877 56.7360 56.9823 57.3441 57.9240 58.0925 58.2807 58.5534 58.7095 58.7756 59.1632 59.7993 59.9766 60.0447 60.3749 60.9992 61.2507 61.9225 62.2114 62.5923 63.1086 63.4859 64.6731 65.2722 65.4137 65.6314 65.8860 66.4439 66.5970 67.2210 67.5962 68.2132 68.4967 68.6744 68.9640 69.2565 69.6383 70.5419 70.8381 70.9435 71.1097 71.3012 71.6299 71.8520 71.9420 72.1177 72.3845 72.5601 72.9066 73.0821 73.3182 74.0231 74.1599 74.2473 75.3019 75.4027 75.6866 75.7853 76.0012 76.6761 76.9143 77.7590 78.7104 78.7841 78.9982 79.2292 79.5872 79.7413 80.1364 80.5010 80.7185 80.8650 81.0028 81.0718 81.1769 81.2587 81.5160 81.7892 82.9031 83.0678 83.1863 83.4796 83.7016 83.8332 84.1172 84.6381 84.9305 85.0185 85.3307 85.4871 85.5489 85.6879 85.9312 85.9789 86.0389 86.2964 86.4640 86.6360 86.9170 87.2090 87.4011 87.6056 87.9201 88.0073 88.3940 88.4233 88.6307 88.8176 89.2716 89.5636 89.6178 89.6332 89.9112 90.0982 90.1742 90.3194 90.4368 90.5196 90.7854 91.0887 91.4564 92.3851 92.8370 93.5019 93.5170 93.6388 93.9889 94.2077 94.4995 94.6178 94.7136 96.5719 96.7511 97.2056 97.2639 97.3871 97.6066 97.7682 98.0098 98.2933 99.0790 99.1655 99.4311 99.8533 99.9440 100.1986 100.2395 100.7106 101.1105 101.6180 101.7595 101.9293 102.0558 102.1241 102.2325 102.5295 102.8259 103.5753 103.8012 104.3511 104.5671 104.8333 104.9556 105.0006 105.8250 106.8384 106.8811 107.0979 107.3330 107.4810 107.5305 107.8330 108.1335 108.2578 108.3416 108.6497 108.8892 109.0224 109.1883 109.3136 109.6092 109.9172 110.0647 110.3082 110.4000 110.8645 111.0386 111.5546 111.8328 111.9977 112.0605 112.1154 112.5956 112.8770 113.0812 113.1163 113.3255 113.5919 113.8496 113.9847 114.1469 114.5099 114.6403 114.8031 115.0322 115.2434 115.5655 115.7649 115.8909 116.1265 116.6534 116.7661 116.8757 117.8740 118.5921 118.8556 118.9395 118.9924 119.1749 119.4297 119.7196 119.8161 119.8666 120.1246 120.6058 120.7727 121.2919 121.3944 121.8177 122.2893 122.5433 122.8146 122.9816 126.0799 126.1409 126.2818 126.4495 126.6875 126.9324 126.9815 127.3038 127.9208 128.0287 128.4566 129.4533 129.9358 130.0450 130.8033 130.8916 131.6958 131.8787 133.1350 133.3042 133.3528 133.4362 134.2163 134.2957 134.5313 134.5562 134.7394 134.8352 135.8103 135.8669 136.5510 137.1964 137.2752 137.5348 137.7661 138.0543 138.1982 138.2455 141.2752 141.8760 142.2621 142.3126 142.5431 142.7212 143.3316 143.3512 143.5810 143.8769 144.2109 144.9077 144.9239 145.0772 145.8502 146.3237 146.3758 147.0343 147.4724 147.5804 147.6777 147.9347 148.2835 148.5633 148.7150 148.7322 148.9712 149.0423 149.7706 149.8649 150.4566 150.5840 151.6345 151.7035 152.0406 152.0684 152.6789 152.7199 152.7753 152.9265 153.7593 153.7997 153.9983 154.1108 154.1443 154.8009 155.1182 155.2860 156.1460 156.3502 156.5089 156.6480 157.9879 158.1423 158.1739 158.2905 158.6245 159.5262 159.5450 161.3540 163.1001 163.9488 167.0268 169.0651 170.6420 175.2487 175.8998 176.6449 177.0759 183.8848 184.8691 186.2894 187.6385 187.7443 188.3433 188.6460 189.3709 189.4784 190.0815 190.4204 190.7595 191.2279 193.1124 194.9479 195.3913 198.3201 199.4500 212.1620 216.7332 235.4235 246.4578 248.6013 255.2876 256.2368 260.9124 261.6267 445.4156 528.3013 530.6459 633.2311 633.5022 636.1754 639.3992 639.6545 645.8925 645.9191 646.4596 1195.0738 1202.9255 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 S S P O O 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 -0.191159 -0.165756 0.713881 -0.352344 -0.624484 -0.069276 -0.105353 -0.088673 -0.078540 -0.271081 -0.270947 0.048800 -0.240355 0.124253 0.103647 0.126901 0.109954 0.062645 0.065522 0.063587 0.066396 0.084790 0.092716 0.082665 0.083385 0.083652 0.092950 0.104281 0.088234 0.078968 0.092615 0.088127 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 S S P O O 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 16.1912 16.1658 14.2861 8.3523 8.6245 6.0693 6.1054 6.0887 6.0785 6.2711 6.2709 5.9512 6.2404 0.8757 0.8964 0.8731 0.8900 0.9374 0.9345 0.9364 0.9336 0.9152 0.9073 0.9173 0.9166 0.9163 0.9071 0.8957 0.9118 0.9210 0.9074 0.9119 16.0000 16.0000 15.0000 8.0000 8.0000 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 -0.1912 -0.1658 0.7139 -0.3523 -0.6245 -0.0693 -0.1054 -0.0887 -0.0785 -0.2711 -0.2709 0.0488 -0.2404 0.1243 0.1036 0.1269 0.1100 0.0626 0.0655 0.0636 0.0664 0.0848 0.0927 0.0827 0.0834 0.0837 0.0929 0.1043 0.0882 0.0790 0.0926 0.0881 2.2866 2.3047 5.4099 2.0819 1.9828 3.8436 3.8531 3.8969 3.8858 3.9564 3.9563 3.8581 3.9323 1.0058 1.0279 1.0051 1.0308 1.0140 1.0310 1.0144 1.0255 1.0006 1.0040 1.0009 1.0008 1.0002 1.0040 0.9921 1.0071 1.0227 1.0077 1.0039 2.2866 2.3047 5.4099 2.0819 1.9828 3.8436 3.8531 3.8969 3.8858 3.9564 3.9563 3.8581 3.9323 1.0058 1.0279 1.0051 1.0308 1.0140 1.0310 1.0144 1.0255 1.0006 1.0040 1.0009 1.0008 1.0002 1.0040 0.9921 1.0071 1.0227 1.0077 1.0039 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 1.1344 0.9233 1.1700 0.9479 1.1599 1.8314 0.8359 0.9464 0.9745 0.9848 0.9377 0.9747 0.9793 0.9424 1.0000 0.9946 0.9421 0.9998 0.9957 0.9931 0.9939 0.9933 0.9929 0.9933 0.9938 0.9745 0.9788 0.9834 0.9841 0.9838 0.9891 0 2 0 5 1 2 1 6 2 3 2 4 3 11 5 7 5 13 5 14 6 8 6 15 6 16 7 9 7 17 7 18 8 10 8 19 8 20 9 21 9 22 9 23 10 24 10 25 10 26 11 12 11 27 11 28 12 29 12 30 12 31 -0.013029549 -1604.705032633069 0.24439 -0.85253 -0.60813 0.54891 -0.05520 0.49372 7.12370 -5.40031 1.72339 1.89306 4.81177