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:1.7123,-.3299,1.1245;-.7416,.9141,-.8757;.3731,-.79,-.4068;-.5842,-1.7729,.4275;.9677,-1.317,-1.6511;3.1092,.263,.0943;-1.3016,1.5194,.7555;2.9196,1.6191,-.5627;-2.5728,.8696,1.2761;2.6421,2.7511,.4109;-3.7831,1.0909,.3838;-1.2622,-2.8512,-.2375;-2.4004,-2.388,-1.1205;3.3233,-.5078,-.6444;3.9447,.2882,.7968;-1.4517,2.5907,.6058;-.476,1.4113,1.4612;3.8381,1.8285,-1.119;2.1246,1.5622,-1.3076;-2.4015,-.1961,1.4298;-2.7684,1.2907,2.2669;1.7001,2.6005,.9382;2.5775,3.7048,-.1118;3.4304,2.8368,1.1609;-4.671,.6197,.805;-3.6265,.6756,-.612;-3.9999,2.154,.2665;-1.6323,-3.4841,.5682;-.5414,-3.432,-.8158;-2.0452,-1.8044,-1.9688;-2.9235,-3.2598,-1.5152;-3.121,-1.7866,-.5671; 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 1319.0840731711 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 1 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 1.432e-04 Time for diagonalization 0.265 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.292 sec Total time needed 0.562 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:1.7123,-.3299,1.1245;-.7416,.9141,-.8757;.3731,-.79,-.4068;-.5842,-1.7729,.4275;.9677,-1.317,-1.6511;3.1092,.263,.0943;-1.3016,1.5194,.7555;2.9196,1.6191,-.5627;-2.5728,.8696,1.2761;2.6421,2.7511,.4109;-3.7831,1.0909,.3838;-1.2622,-2.8512,-.2375;-2.4004,-2.388,-1.1205;3.3233,-.5078,-.6444;3.9447,.2882,.7968;-1.4517,2.5907,.6058;-.476,1.4113,1.4612;3.8381,1.8285,-1.119;2.1246,1.5622,-1.3076;-2.4015,-.1961,1.4298;-2.7684,1.2907,2.2669;1.7001,2.6005,.9382;2.5775,3.7048,-.1118;3.4304,2.8368,1.1609;-4.671,.6197,.805;-3.6265,.6756,-.612;-3.9999,2.154,.2665;-1.6323,-3.4841,.5682;-.5414,-3.432,-.8158;-2.0452,-1.8044,-1.9688;-2.9235,-3.2598,-1.5152;-3.121,-1.7866,-.5671; 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 4 223.18816099999987 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:1.7123,-.3299,1.1245;-.7416,.9141,-.8757;.3731,-.79,-.4068;-.5842,-1.7729,.4275;.9677,-1.317,-1.6511;3.1092,.263,.0943;-1.3016,1.5194,.7555;2.9196,1.6191,-.5627;-2.5728,.8696,1.2761;2.6421,2.7511,.4109;-3.7831,1.0909,.3838;-1.2622,-2.8512,-.2375;-2.4004,-2.388,-1.1205;3.3233,-.5078,-.6444;3.9447,.2882,.7968;-1.4517,2.5907,.6058;-.476,1.4113,1.4612;3.8381,1.8285,-1.119;2.1246,1.5622,-1.3076;-2.4015,-.1961,1.4298;-2.7684,1.2907,2.2669;1.7001,2.6005,.9382;2.5775,3.7048,-.1118;3.4304,2.8368,1.1609;-4.671,.6197,.805;-3.6265,.6756,-.612;-3.9999,2.154,.2665;-1.6323,-3.4841,.5682;-.5414,-3.432,-.8158;-2.0452,-1.8044,-1.9688;-2.9235,-3.2598,-1.5152;-3.121,-1.7866,-.5671; -1604.66938408 1319.08407317 -2923.75345725 -4831.66121033 1907.90775308 -3205.02800846 1600.35862438 2.00269362 65.000234892716 65.000234892716 130.000469785433 -101.623742312087 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 -2420.5674 -2420.5122 -2102.4292 -524.3068 -522.2886 -281.4199 -280.6942 -280.6313 -279.7848 -279.6480 -279.5390 -279.3980 -279.3040 -219.1170 -219.0611 -183.7511 -163.4269 -163.3694 -163.3361 -163.2803 -163.2025 -163.1480 -133.4931 -133.4702 -133.4292 -32.1786 -29.5463 -25.6373 -25.3924 -24.2677 -23.5402 -23.2790 -21.6565 -21.1100 -20.5447 -19.1726 -18.9018 -17.6988 -16.2898 -16.0465 -15.6978 -15.4664 -15.3175 -15.1701 -14.8284 -14.3854 -14.2375 -13.6268 -13.3786 -13.3097 -13.0014 -12.8438 -12.7241 -12.3516 -12.3133 -12.0975 -12.0384 -11.7791 -11.5673 -11.3280 -10.9070 -10.7497 -10.0166 -9.6241 -9.0401 1.9145 2.1339 2.9815 3.1083 3.3363 3.6629 3.8058 3.8825 4.0758 4.2268 4.4616 4.6325 4.7800 4.8887 5.0082 5.0910 5.2134 5.2693 5.5580 5.6494 5.8356 5.8819 5.9933 6.0643 6.1574 6.4260 6.9289 6.9999 7.1547 7.4308 7.6350 7.7045 7.9259 8.0595 8.3047 8.3408 8.5768 8.6271 8.6417 8.9395 9.1287 9.2517 9.3841 9.6438 9.8724 10.1110 10.2016 10.4136 10.7973 10.9953 11.3115 11.4771 11.7177 12.1403 12.3262 12.5163 12.6603 12.8584 13.0001 13.0214 13.1076 13.1971 13.5158 13.7556 13.8044 13.8327 13.9545 14.1644 14.2078 14.3054 14.4111 14.4642 14.6048 14.7119 14.8685 14.9555 15.1044 15.2013 15.2848 15.4134 15.5109 15.6953 15.7744 15.9720 16.2389 16.5160 16.5787 16.7926 17.0135 17.0428 17.3845 17.6752 17.7944 18.0175 18.3016 18.5139 18.7931 18.8440 19.1446 19.2783 19.4079 19.6198 20.1490 20.2692 20.3737 20.7884 21.2708 21.5083 21.5511 21.7953 21.8101 22.4150 22.6761 22.9907 23.2787 23.5516 23.7761 23.9767 24.1481 24.3878 24.7990 25.0946 25.1993 25.5938 25.6500 26.0059 26.2966 26.6037 26.8710 27.1666 27.3921 27.4084 27.4909 27.9048 28.0315 28.3790 28.9015 28.9416 29.2372 29.4210 29.4623 29.5764 29.7845 29.9187 30.0838 30.2404 30.3712 30.7001 30.9469 31.0020 31.4046 31.5623 31.7797 31.8551 32.2827 32.4646 32.5203 32.7269 32.8446 33.1611 33.3144 33.5492 33.9034 33.9985 34.1303 34.3021 34.4545 34.6465 34.8223 35.0165 35.4514 35.5594 35.7269 35.9355 36.0972 36.5321 36.7962 37.1178 37.3719 37.5483 37.8574 38.3228 38.5309 38.6947 39.2903 39.4449 39.4869 39.6271 39.8580 40.1003 40.1500 40.3698 40.7374 40.8093 41.0599 41.3663 41.6043 41.7530 41.9414 41.9598 42.1092 42.2039 42.4157 42.6269 42.7168 42.7583 42.9106 43.1837 43.3313 43.4404 43.6458 43.7914 44.2178 44.4125 44.6381 44.7308 44.9628 45.2334 45.3247 45.5768 45.7750 45.8895 46.1976 46.2593 46.4630 46.4885 46.8431 46.9698 47.1473 47.2983 47.5135 47.8663 47.9379 48.0391 48.7822 48.9132 49.2076 49.3354 49.4848 49.5631 49.9308 50.5756 50.9647 51.6939 51.7256 52.6990 52.8438 53.1330 53.4908 53.6718 53.9747 54.3191 54.8580 54.9239 55.7496 56.0767 56.2409 56.3731 56.9084 56.9969 57.7115 57.9427 58.3903 58.5380 59.0381 59.3465 59.6960 60.1884 60.5132 60.7027 60.8806 61.0947 61.4659 61.6141 61.9069 62.0349 63.0627 63.2072 63.8463 64.3256 64.7742 65.3094 65.7382 66.0371 66.5547 66.6893 67.3247 67.6677 68.2471 68.5747 68.9251 69.2656 69.6005 69.7875 70.2030 70.6307 70.8431 71.1474 71.3811 71.5818 71.8875 72.4405 72.6158 72.7798 73.2440 73.4561 73.7145 74.0087 74.2075 74.4448 74.6798 75.1017 75.4216 75.8744 76.4152 76.7172 77.2386 77.3503 77.8102 78.2583 78.8311 78.9017 79.2608 79.8119 79.8598 80.3022 80.6066 80.8277 80.9580 81.2447 81.4258 81.5771 81.7624 81.8689 81.8935 82.4771 82.6297 82.8916 83.3270 83.8209 84.1688 84.6244 84.7365 85.0496 85.1983 85.4282 85.5670 85.7238 85.8053 86.0188 86.2069 86.3939 86.4958 86.7463 86.8837 87.0729 87.2055 87.3935 87.5108 87.9246 88.0788 88.2256 88.5341 88.6371 89.2424 89.2832 89.4076 89.6342 89.8402 89.8615 90.2131 90.4767 90.7182 90.8256 91.1819 91.2479 91.8967 92.2193 92.5275 92.7296 92.7886 93.2235 94.0236 94.2787 94.4440 95.1585 95.1941 95.4942 96.0674 96.2450 97.3946 97.6462 97.7774 97.9402 98.0543 98.2290 98.7437 98.9907 99.2199 99.4865 99.9556 100.1364 100.3556 100.5580 100.9481 101.0383 101.4168 101.5469 101.6767 102.1247 102.1697 102.3198 102.4718 102.6687 103.1727 103.2814 103.5187 103.8846 104.1492 104.5735 105.1190 105.1841 105.3126 106.2669 106.5545 107.1464 107.2704 107.3653 107.4675 107.6595 107.9364 108.2784 108.9114 109.0138 109.2197 109.4333 109.7727 110.3095 110.4039 110.5500 110.6582 110.9864 111.0488 111.3486 111.7975 112.0891 112.2502 112.3232 112.3785 112.7667 113.1523 113.2851 113.6401 113.8346 113.9206 114.0691 114.4006 114.4543 114.6300 114.8169 114.8519 115.0061 115.1962 115.6539 115.8271 116.2625 116.8104 116.9647 117.2841 117.4653 117.8597 117.9439 118.5249 118.7025 118.7914 119.0945 119.4996 120.0684 120.3784 120.5018 120.9345 120.9991 121.1247 121.3947 121.4906 122.1267 122.5027 122.8241 123.1248 123.3970 125.5518 125.8504 126.0300 126.2381 126.3177 126.7364 126.7704 127.1174 128.0535 128.3538 128.5003 129.0237 129.3173 129.7277 130.0174 130.3167 131.7787 132.1496 132.9071 133.0833 133.3823 133.4601 133.5262 133.8893 134.2343 134.7895 134.9937 135.0961 136.0295 136.1955 136.2106 137.0272 137.2567 137.8490 137.9476 138.0726 138.4269 138.7589 141.1836 141.3602 141.7233 142.5571 143.1914 143.2832 143.4221 143.6425 144.0646 144.1514 144.4215 144.6820 144.9619 145.0648 146.4399 146.5070 146.8558 147.1813 147.4141 147.8018 147.9678 148.3349 148.4068 148.5565 148.7482 148.8033 149.0457 149.3332 150.0119 150.4954 150.6188 150.8283 151.0805 151.1790 151.4794 151.9326 152.3058 152.5958 153.0397 153.2003 153.2383 153.3058 153.8115 154.3080 154.7242 154.9097 155.1863 155.3442 155.9392 156.9048 157.0161 157.7379 158.0090 158.2602 158.4167 158.5006 158.6415 159.1371 159.3744 162.8389 163.5262 164.3665 166.8629 169.1995 170.8764 175.5652 176.3990 177.2837 177.5927 183.4642 185.8147 186.4214 188.2402 188.6297 188.9209 189.0842 189.9018 190.1751 190.5504 190.7419 191.0964 191.8610 192.6160 195.1650 195.7054 198.6682 200.3349 212.5748 217.7909 235.7536 247.5265 250.1019 255.0858 256.6982 261.0323 261.3562 446.1543 528.3282 531.4125 634.5769 634.9086 636.0247 640.0212 640.2920 646.0457 646.5997 647.1206 1196.7737 1204.0094 -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 -0.170791 -0.151859 0.686565 -0.346571 -0.523549 -0.123678 -0.130864 -0.132758 -0.119098 -0.237809 -0.252662 0.022431 -0.259570 0.133656 0.111181 0.115197 0.112092 0.073901 0.085434 0.070054 0.075939 0.069162 0.089762 0.078264 0.090826 0.076606 0.082498 0.095345 0.104555 0.104324 0.093514 0.077903 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 16.1708 16.1519 14.3134 8.3466 8.5235 6.1237 6.1309 6.1328 6.1191 6.2378 6.2527 5.9776 6.2596 0.8663 0.8888 0.8848 0.8879 0.9261 0.9146 0.9299 0.9241 0.9308 0.9102 0.9217 0.9092 0.9234 0.9175 0.9047 0.8954 0.8957 0.9065 0.9221 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 -0.1708 -0.1519 0.6866 -0.3466 -0.5235 -0.1237 -0.1309 -0.1328 -0.1191 -0.2378 -0.2527 0.0224 -0.2596 0.1337 0.1112 0.1152 0.1121 0.0739 0.0854 0.0701 0.0759 0.0692 0.0898 0.0783 0.0908 0.0766 0.0825 0.0953 0.1046 0.1043 0.0935 0.0779 2.2776 2.2603 5.4063 2.0839 2.1075 3.8888 3.8735 3.8902 3.9025 3.9326 3.9225 3.8817 3.9145 1.0240 1.0028 1.0042 1.0337 1.0100 1.0201 1.0223 1.0115 1.0099 1.0072 1.0051 1.0042 1.0134 1.0056 0.9894 1.0063 1.0105 1.0160 0.9982 2.2776 2.2603 5.4063 2.0839 2.1075 3.8888 3.8735 3.8902 3.9025 3.9326 3.9225 3.8817 3.9145 1.0240 1.0028 1.0042 1.0337 1.0100 1.0201 1.0223 1.0115 1.0099 1.0072 1.0051 1.0042 1.0134 1.0056 0.9894 1.0063 1.0105 1.0160 0.9982 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.1151 0.9475 1.1045 0.9473 1.1266 1.9377 0.8803 0.9482 0.9910 0.9749 0.9492 0.9739 0.9791 0.9439 0.9874 0.9981 0.9403 1.0014 0.9923 0.9824 0.9954 0.9952 0.9952 0.9906 0.9909 0.9515 0.9813 0.9949 0.9838 0.9879 0.9880 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 -0.015786770 -1604.685170850912 -9.10841 8.57910 -0.52931 8.23937 -7.87795 0.36142 2.60950 -1.84694 0.76256 0.99614 2.53198