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:2.1336,-.6187,.7097;-.7641,.8324,1.2042;.1647,-.6047,.0335;-.412,-1.9662,.6569;.0123,-.4422,-1.4297;2.8965,.4786,-.5433;-2.3961,.9332,.3637;2.5534,1.9504,-.3878;-2.6268,2.2837,-.2956;2.9499,2.543,.954;-1.6857,2.5818,-1.4508;-.1423,-3.2111,-.0075;-1.2124,-3.5413,-1.0231;2.6196,.1071,-1.5287;3.9684,.3142,-.4138;-3.1425,.7391,1.1335;-2.4689,.1311,-.3711;3.0648,2.4833,-1.1951;1.4855,2.0954,-.5631;-3.6616,2.2917,-.6523;-2.5622,3.0741,.4567;4.0195,2.4269,1.1402;2.4156,2.0642,1.7743;2.722,3.6079,.9905;-.6531,2.6565,-1.112;-1.9475,3.5269,-1.9258;-1.7208,1.799,-2.2077;-.1101,-3.9592,.7845;.8467,-3.191,-.4748;-1.2156,-2.8222,-1.8409;-1.0264,-4.5312,-1.4421;-2.2002,-3.5547,-.5623; 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 1308.2008822229 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 1.273e-04 Time for diagonalization 0.400 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.386 sec Total time needed 0.792 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:2.1336,-.6187,.7097;-.7641,.8324,1.2042;.1647,-.6047,.0335;-.412,-1.9662,.6569;.0123,-.4422,-1.4297;2.8965,.4786,-.5433;-2.3961,.9332,.3637;2.5534,1.9504,-.3878;-2.6268,2.2837,-.2956;2.9499,2.543,.954;-1.6857,2.5818,-1.4508;-.1423,-3.2111,-.0075;-1.2124,-3.5413,-1.0231;2.6196,.1071,-1.5287;3.9684,.3142,-.4138;-3.1425,.7391,1.1335;-2.4689,.1311,-.3711;3.0648,2.4833,-1.1951;1.4855,2.0954,-.5631;-3.6616,2.2917,-.6523;-2.5622,3.0741,.4567;4.0195,2.4269,1.1402;2.4156,2.0642,1.7743;2.722,3.6079,.9905;-.6531,2.6565,-1.112;-1.9475,3.5269,-1.9258;-1.7208,1.799,-2.2077;-.1101,-3.9592,.7845;.8467,-3.191,-.4748;-1.2156,-2.8222,-1.8409;-1.0264,-4.5312,-1.4421;-2.2002,-3.5547,-.5623; 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:2.1336,-.6187,.7097;-.7641,.8324,1.2042;.1647,-.6047,.0335;-.412,-1.9662,.6569;.0123,-.4422,-1.4297;2.8965,.4786,-.5433;-2.3961,.9332,.3637;2.5534,1.9504,-.3878;-2.6268,2.2837,-.2956;2.9499,2.543,.954;-1.6857,2.5818,-1.4508;-.1423,-3.2111,-.0075;-1.2124,-3.5413,-1.0231;2.6196,.1071,-1.5287;3.9684,.3142,-.4138;-3.1425,.7391,1.1335;-2.4689,.1311,-.3711;3.0648,2.4833,-1.1951;1.4855,2.0954,-.5631;-3.6616,2.2917,-.6523;-2.5622,3.0741,.4567;4.0195,2.4269,1.1402;2.4156,2.0642,1.7743;2.722,3.6079,.9905;-.6531,2.6565,-1.112;-1.9475,3.5269,-1.9258;-1.7208,1.799,-2.2077;-.1101,-3.9592,.7845;.8467,-3.191,-.4748;-1.2156,-2.8222,-1.8409;-1.0264,-4.5312,-1.4421;-2.2002,-3.5547,-.5623; -1604.67129845 1308.20088222 -2912.87218067 -4810.14866892 1897.27648825 -3205.02550095 1600.35420250 2.00269759 65.000101420169 65.000101420169 130.000202840339 -101.619525918297 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 -2420.5627 -2420.5279 -2102.4014 -524.2465 -522.2898 -281.3496 -280.6426 -280.6145 -279.7399 -279.6607 -279.4234 -279.2229 -279.0999 -219.1132 -219.0777 -183.7237 -163.4229 -163.3848 -163.3285 -163.3013 -163.2030 -163.1611 -133.4670 -133.4478 -133.3967 -32.1278 -29.5162 -25.5466 -25.3764 -24.2150 -23.4667 -23.1993 -21.6098 -20.9736 -20.4376 -19.1632 -18.7263 -17.7957 -16.3391 -15.8228 -15.7030 -15.3621 -15.2243 -15.0331 -14.9081 -14.0972 -13.9726 -13.8519 -13.5145 -13.0271 -12.9269 -12.8222 -12.3573 -12.2762 -12.2180 -12.0611 -11.8345 -11.7816 -11.4777 -11.2870 -11.0509 -10.5741 -10.1741 -9.4012 -9.2427 1.9474 2.4255 2.7255 3.1791 3.4944 3.6233 3.8630 4.0938 4.1795 4.2440 4.4179 4.4859 4.6784 4.7877 4.9950 5.2746 5.3827 5.4029 5.5649 5.6899 5.7526 5.7694 6.0596 6.1659 6.4967 6.5636 6.7523 7.1887 7.2581 7.4628 7.6731 7.7593 7.8881 8.1366 8.1573 8.3268 8.3790 8.6398 8.7992 8.8934 9.1006 9.3400 9.5162 9.5886 9.7817 9.9425 10.2121 10.3215 10.5547 10.7350 10.9306 11.3816 11.8516 11.9495 12.1788 12.5183 12.6142 12.8544 12.9314 13.0645 13.3260 13.3588 13.4771 13.5470 13.6456 13.7333 13.8526 14.0558 14.1576 14.3088 14.4154 14.5160 14.6203 14.7698 14.8133 14.8866 14.9470 15.0430 15.2498 15.3785 15.4609 15.7668 15.8507 16.1454 16.2007 16.3670 16.4429 16.8241 16.9110 17.2905 17.3906 17.4862 17.8334 18.0229 18.2724 18.3371 18.5842 18.9118 19.0532 19.3216 19.7352 19.9679 20.1365 20.4648 20.7138 20.8192 20.9840 21.5731 21.9237 22.0849 22.1964 22.7586 22.9187 23.1385 23.4890 23.5901 23.7303 23.9561 24.2801 24.5405 25.0331 25.2887 25.3838 25.6449 25.7212 25.7951 26.2225 26.3219 26.6647 27.1281 27.3495 27.5215 27.6793 27.9608 27.9927 28.1276 28.2322 28.5936 28.8242 28.8945 29.3420 29.5885 29.6697 29.8767 30.2117 30.3375 30.4633 30.5219 30.8990 31.0525 31.2213 31.4213 31.7003 32.1129 32.1991 32.2527 32.4665 32.5183 32.7720 33.1217 33.2776 33.4605 33.6326 33.9747 34.1021 34.3533 34.5343 34.6169 34.7189 35.1316 35.2026 35.3357 35.6286 35.6953 36.1122 36.3453 36.8568 37.1624 37.3404 37.5646 37.9849 38.4599 38.7426 38.8943 39.2288 39.2845 39.4226 39.6300 40.0893 40.2794 40.4136 40.6234 40.8336 40.9710 41.1069 41.4807 41.5474 41.7179 41.8039 41.9156 42.0135 42.1894 42.2568 42.3690 42.5313 42.5844 42.6568 42.8483 43.0199 43.2272 43.4502 43.5630 43.9152 44.1060 44.5810 44.6697 44.7577 45.0400 45.2495 45.3406 45.5597 45.6705 45.9535 46.0738 46.1971 46.4650 46.6483 46.9973 47.1987 47.3201 47.5314 47.6612 47.8786 48.3927 48.5484 48.7768 49.2174 49.3424 49.7427 50.1890 50.4720 50.7840 51.0666 51.4408 51.7862 52.4315 52.5876 52.6676 53.5308 53.8902 54.0514 54.2945 54.6587 54.7314 55.2449 55.5247 56.0924 56.2324 56.5675 56.9831 57.4638 58.0288 58.1219 58.6768 58.9047 59.6193 59.8852 60.2499 60.4826 60.6744 60.8610 61.2357 61.4635 62.1191 62.2160 62.5073 62.7595 63.8052 64.0919 64.5526 64.8889 65.3449 65.7454 66.0749 66.4315 67.1222 67.5823 67.7912 68.6122 68.7312 68.9782 69.2015 69.8868 69.9727 70.2370 70.5654 70.7065 71.1450 71.5621 71.6842 72.0839 72.5671 72.7105 72.9077 72.9437 73.1847 73.4482 73.8202 73.8399 74.3361 74.6976 74.9422 75.1158 75.6098 75.8825 76.8081 77.1291 77.4368 77.6338 78.0606 78.6143 78.9397 79.3173 79.5074 80.0090 80.3189 80.5431 80.7474 81.0704 81.1317 81.3593 81.7683 82.0970 82.3357 82.5193 82.8487 82.9450 83.4184 83.6862 83.9560 84.3169 84.5895 84.7447 84.8756 85.1848 85.3672 85.6697 85.7841 85.8750 86.1103 86.1605 86.4209 86.4732 86.5147 86.8139 87.0050 87.1224 87.3566 87.4960 87.8081 87.8736 88.2887 88.6843 88.8320 89.0932 89.1415 89.4846 89.6979 89.7642 90.1178 90.2077 90.4428 90.7921 90.9817 91.0544 91.4496 91.8720 92.3572 92.7755 92.9358 93.2956 93.4619 93.7513 94.1989 94.5044 95.0415 95.2741 95.4855 95.7832 96.2766 97.0201 97.4714 97.7406 97.7875 98.2448 98.3873 98.7900 99.0197 99.6381 99.8234 100.0736 100.2854 100.4065 100.7912 100.8945 100.9595 101.2010 101.4264 101.9578 102.0869 102.2237 102.4144 102.6966 103.0051 103.1288 103.2181 103.5957 103.9743 104.2107 104.4580 104.7674 104.9312 105.2836 105.8172 106.7623 106.9358 107.1661 107.3743 107.4430 107.7155 107.9250 108.2638 108.5402 109.0930 109.2891 109.6600 109.9622 110.0384 110.2251 110.5330 110.7824 110.8643 111.2352 111.3603 111.7300 112.0226 112.2169 112.3526 112.4655 112.7964 112.9610 113.1059 113.2995 113.4337 113.9067 114.0570 114.1696 114.3883 114.4192 114.7019 114.7258 114.9959 115.1200 115.1933 115.5628 116.1134 116.1770 116.7827 117.2845 117.5328 117.8464 117.9005 118.0759 118.8233 119.0837 119.1593 119.5050 119.8014 120.2365 120.2669 120.9196 120.9808 121.3625 121.5267 121.5303 121.7285 122.1131 122.4273 122.8566 123.0812 125.5393 125.7811 125.9450 126.2127 126.5862 126.7658 127.1167 127.2193 128.0598 128.4312 128.4632 129.0519 129.2709 129.3962 130.1129 130.5833 131.7899 131.9904 132.8812 132.9294 133.3101 133.3657 133.6518 133.7170 134.4442 134.6683 134.7812 135.1533 135.9797 136.1831 136.3611 137.0598 137.1900 137.7439 138.0118 138.1462 138.3032 139.2083 141.3598 141.7393 141.9291 142.2199 143.1029 143.4179 143.5531 143.6325 144.2458 144.2789 144.5381 144.7925 145.0633 145.2771 146.4283 146.7238 146.9553 147.0928 147.6619 147.9874 148.0460 148.1085 148.2728 148.4986 148.6378 148.8923 149.3110 149.7256 150.2633 150.4449 150.6505 150.9063 151.0379 151.1579 151.6481 151.8824 152.1839 152.2827 152.5563 152.8825 153.1887 153.6726 153.7922 154.4249 154.7035 155.1019 155.2607 156.0618 156.5857 156.9948 157.1843 157.6400 157.8492 158.0386 158.2652 158.5436 159.0380 159.1353 161.8530 162.6032 163.2105 165.4117 167.5158 169.1151 171.2810 174.9469 177.0259 177.5637 177.6808 184.0974 185.0008 186.2312 188.0248 188.3313 188.6514 188.9210 189.7211 189.9905 190.3728 190.6938 190.8885 191.8685 193.4312 195.1249 195.4310 198.3222 199.1378 213.3324 218.3584 235.4728 248.1487 248.6835 256.6313 257.0741 261.2276 261.8818 446.9642 528.1956 531.4805 633.6648 634.7921 636.1998 640.0937 641.1814 646.3325 646.5049 647.5728 1195.7510 1203.3467 -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 -0.178523 -0.158688 0.690364 -0.339299 -0.530377 -0.120936 -0.088538 -0.101179 -0.105476 -0.232820 -0.240155 0.036803 -0.251343 0.129360 0.110024 0.113366 0.089015 0.072881 0.051072 0.065205 0.064651 0.074871 0.078708 0.085469 0.073767 0.088619 0.088956 0.094530 0.077445 0.098437 0.082295 0.081496 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 16.1785 16.1587 14.3096 8.3393 8.5304 6.1209 6.0885 6.1012 6.1055 6.2328 6.2402 5.9632 6.2513 0.8706 0.8900 0.8866 0.9110 0.9271 0.9489 0.9348 0.9353 0.9251 0.9213 0.9145 0.9262 0.9114 0.9110 0.9055 0.9226 0.9016 0.9177 0.9185 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 -0.1785 -0.1587 0.6904 -0.3393 -0.5304 -0.1209 -0.0885 -0.1012 -0.1055 -0.2328 -0.2402 0.0368 -0.2513 0.1294 0.1100 0.1134 0.0890 0.0729 0.0511 0.0652 0.0647 0.0749 0.0787 0.0855 0.0738 0.0886 0.0890 0.0945 0.0774 0.0984 0.0823 0.0815 2.2888 2.2734 5.4296 2.1047 2.0590 3.8953 3.9111 3.9099 3.9122 3.9290 3.9426 3.9070 3.9243 1.0264 1.0030 1.0100 1.0318 1.0136 1.0182 1.0095 1.0096 1.0047 1.0155 1.0073 1.0008 1.0065 1.0103 0.9908 1.0091 1.0196 1.0115 1.0041 2.2888 2.2734 5.4296 2.1047 2.0590 3.8953 3.9111 3.9099 3.9122 3.9290 3.9426 3.9070 3.9243 1.0264 1.0030 1.0100 1.0318 1.0136 1.0182 1.0095 1.0096 1.0047 1.0155 1.0073 1.0008 1.0065 1.0103 0.9908 1.0091 1.0196 1.0115 1.0041 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.1275 0.9458 1.1442 0.9319 1.1515 1.8729 0.8772 0.9492 0.9901 0.9774 0.9577 0.9889 0.9811 0.9488 0.9936 0.9985 0.9398 0.9911 1.0038 0.9943 0.9817 0.9934 0.9862 0.9962 0.9910 0.9683 0.9811 0.9844 0.9828 0.9862 0.9886 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 -0.014710078 -1604.686008528300 -3.07099 2.94585 -0.12514 8.68381 -8.77191 -0.08810 -8.53588 8.47676 -0.05912 0.16407 0.41703