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 S S S P O O C C C C C C H H H H H H H H H H H H H H H 1 1 1 2 3 3 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 231.23176099999995 AuxInfo=1/0/N:10,11,12,9,8,7,5,6,4,3,2,1/E:(2,3)(7,8)/CRV:9.4,10.1/rA:27nSSS1P4OOCCCCCCHHHHHHHHHHHHHHH/rB:;;s1s3;s4;s4;s1;s2s7;s2;s9;s5;s6;s7;s7;s8;s8;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;/rC:-.4575,1.3468,-.3506;3.3219,-.9811,-.2139;-1.4946,-1.8573,-.8711;-1.7576,-.238,.1066;-1.7013,-.4565,1.688;-3.166,.523,-.0446;1.042,.4379,-.8628;1.7442,-.2495,.2916;4.3867,.489,-.2677;4.7451,1.0409,1.0997;-1.9092,.6016,2.6158;-3.7117,.7581,-1.3366;1.6717,1.2048,-1.3155;.7694,-.2773,-1.6381;1.1378,-1.0796,.6564;1.8912,.435,1.1284;5.2851,.1622,-.7937;3.9301,1.2561,-.8965;5.2434,.2861,1.7058;5.4134,1.8984,1.0044;3.8635,1.3771,1.6454;-1.2618,1.4545,2.4016;-1.6591,.2073,3.5975;-2.9485,.929,2.6162;-3.8087,-.1729,-1.8964;-3.0916,1.453,-1.906;-4.6957,1.1956,-1.1887; 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 761 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 130 Dim 626 ENuc 1250.4213224097 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 1.722e-04 Time for diagonalization 0.137 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.066 sec Total time needed 0.205 sec 16 16 16 15 8 8 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.23176099999995 AuxInfo=1/0/N:10,11,12,9,8,7,5,6,4,3,2,1/E:(2,3)(7,8)/CRV:9.4,10.1/rA:27nSSS1P4OOCCCCCCHHHHHHHHHHHHHHH/rB:;;s1s3;s4;s4;s1;s2s7;s2;s9;s5;s6;s7;s7;s8;s8;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;/rC:-.4575,1.3468,-.3506;3.3219,-.9811,-.2139;-1.4946,-1.8573,-.8711;-1.7576,-.238,.1066;-1.7013,-.4565,1.688;-3.166,.523,-.0446;1.042,.4379,-.8628;1.7442,-.2495,.2916;4.3867,.489,-.2677;4.7451,1.0409,1.0997;-1.9092,.6016,2.6158;-3.7117,.7581,-1.3366;1.6717,1.2048,-1.3155;.7694,-.2773,-1.6381;1.1378,-1.0796,.6564;1.8912,.435,1.1284;5.2851,.1622,-.7937;3.9301,1.2561,-.8965;5.2434,.2861,1.7058;5.4134,1.8984,1.0044;3.8635,1.3771,1.6454;-1.2618,1.4545,2.4016;-1.6591,.2073,3.5975;-2.9485,.929,2.6162;-3.8087,-.1729,-1.8964;-3.0916,1.453,-1.906;-4.6957,1.1956,-1.1887; 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 4 231.23176099999995 AuxInfo=1/0/N:10,11,12,9,8,7,5,6,4,3,2,1/E:(2,3)(7,8)/CRV:9.4,10.1/rA:27nSSS1P4OOCCCCCCHHHHHHHHHHHHHHH/rB:;;s1s3;s4;s4;s1;s2s7;s2;s9;s5;s6;s7;s7;s8;s8;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;/rC:-.4575,1.3468,-.3506;3.3219,-.9811,-.2139;-1.4946,-1.8573,-.8711;-1.7576,-.238,.1066;-1.7013,-.4565,1.688;-3.166,.523,-.0446;1.042,.4379,-.8628;1.7442,-.2495,.2916;4.3867,.489,-.2677;4.7451,1.0409,1.0997;-1.9092,.6016,2.6158;-3.7117,.7581,-1.3366;1.6717,1.2048,-1.3155;.7694,-.2773,-1.6381;1.1378,-1.0796,.6564;1.8912,.435,1.1284;5.2851,.1622,-.7937;3.9301,1.2561,-.8965;5.2434,.2861,1.7058;5.4134,1.8984,1.0044;3.8635,1.3771,1.6454;-1.2618,1.4545,2.4016;-1.6591,.2073,3.5975;-2.9485,.929,2.6162;-3.8087,-.1729,-1.8964;-3.0916,1.453,-1.906;-4.6957,1.1956,-1.1887; -1924.22091094 1250.42132241 -3174.64223335 -5139.92400526 1965.28177191 -3843.89061529 1919.66970435 2.00237083 64.999993842617 64.999993842617 129.999987685234 -112.331906304749 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 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 -2420.7766 -2420.1509 -2419.3033 -2103.0543 -524.5629 -524.5324 -281.3671 -281.3225 -280.8410 -280.5432 -280.5150 -279.5797 -219.3242 -218.6621 -217.8847 -184.3296 -163.6265 -163.5448 -163.4171 -162.9940 -162.8855 -162.7315 -162.1919 -162.0402 -162.0297 -134.0753 -134.0559 -134.0060 -32.8430 -31.7172 -25.9904 -24.9999 -24.0754 -23.1016 -22.4833 -22.0625 -21.3763 -20.2130 -18.7067 -18.3538 -17.2194 -16.5138 -16.0978 -16.0340 -15.6005 -15.3830 -15.0972 -14.7872 -14.4710 -13.9983 -13.6882 -13.2792 -13.0865 -12.7793 -12.5258 -12.3439 -12.1567 -11.6257 -11.3857 -10.8872 -10.7202 -9.8725 -9.2583 -9.0484 -8.5825 1.7866 2.6405 2.8700 3.0396 3.2261 3.4483 3.6368 3.7699 3.9224 4.1210 4.3623 4.6393 4.6906 4.8917 5.0256 5.0476 5.1492 5.3954 5.5558 5.6504 5.8263 5.8429 6.1524 6.2982 6.7961 6.8630 7.0479 7.4468 7.5505 7.8017 7.8821 8.0129 8.2188 8.3821 8.4097 8.5810 8.8381 8.9682 9.0943 9.4023 9.6275 9.9472 10.0773 10.3303 10.4253 10.8336 10.9588 11.4219 11.4737 11.6714 11.9202 12.0925 12.3817 12.6112 12.8914 12.9206 13.0102 13.1287 13.1905 13.3019 13.4244 13.6729 13.9517 14.0360 14.0833 14.3282 14.3417 14.5013 14.6351 14.7456 14.7913 14.8349 14.9894 15.2117 15.3209 15.4518 15.7372 15.9094 16.1418 16.2335 16.5106 16.6334 16.9178 17.0730 17.2674 17.8018 17.9558 18.1845 18.6329 18.7239 19.2386 19.2620 19.6694 20.1008 20.1940 20.3017 20.9164 21.2542 21.4236 21.5139 21.7520 22.1087 22.4999 22.8069 23.1508 23.4802 23.6574 23.9902 24.1599 24.4466 24.8084 25.2685 25.3046 25.5127 25.8646 26.1228 26.1691 26.5655 26.7884 27.0287 27.2320 27.5475 27.6797 27.9922 28.1239 28.3427 28.4265 28.5284 28.8181 28.8783 29.4812 29.5545 29.8839 30.1822 30.2442 30.5100 30.7399 31.0528 31.1707 31.3045 31.6715 31.8541 32.3916 32.4613 32.4939 32.8883 32.9884 33.4782 33.6069 33.8677 34.2046 34.3256 34.4284 34.6395 34.8795 35.4225 35.7392 35.9532 36.5487 36.7720 37.3788 37.6296 37.8873 38.3462 38.6471 39.0617 39.2850 39.5793 39.7671 40.0587 40.1773 40.4476 40.5829 40.7814 40.8621 41.0799 41.2561 41.3845 41.5776 41.7696 41.9891 42.1371 42.2797 42.4571 42.8063 43.0034 43.2043 43.3496 43.6382 43.7868 44.1226 44.2697 44.3010 44.5151 44.7082 44.7630 44.9576 45.1331 45.2393 45.4623 45.6957 46.2917 46.4086 46.5627 46.7182 46.9812 47.2014 47.3754 47.5643 47.9206 48.1418 48.3852 48.5396 48.7713 48.9027 49.0779 49.3288 49.7492 49.8623 50.3036 50.7788 51.1001 51.4350 52.2080 52.3212 52.5829 53.1363 53.3709 53.5705 53.9920 54.2706 54.5081 54.8555 55.0083 55.3061 55.4935 55.9314 56.1797 56.4316 56.8208 56.9948 57.3532 57.8643 58.5126 58.8507 58.9938 59.1967 59.7178 59.9307 60.4988 60.8959 61.3453 62.1583 62.3285 62.7585 63.0408 63.6526 64.6468 64.7434 65.4569 65.9499 66.3634 67.0684 67.2531 67.7969 68.2035 68.8794 69.3357 69.5966 70.0142 70.2523 70.9451 71.0839 71.4526 71.6851 71.8900 71.9980 72.4058 72.9764 73.1307 73.4204 73.8382 74.0051 74.7378 74.9735 75.0126 75.4795 75.8581 76.2887 76.7865 77.0270 77.8266 77.9747 78.3255 78.5826 78.7021 79.0766 79.6921 79.8238 80.4805 80.7648 81.0016 81.2412 81.3590 81.5368 81.6704 81.8381 82.1786 82.4793 82.6935 83.0922 83.2487 83.5004 83.7869 84.4538 84.6552 85.0909 85.4103 85.5646 85.9621 86.4745 86.8348 86.9678 87.2688 87.5701 87.8406 88.0883 88.3134 88.9297 89.0116 89.2732 89.6067 89.7007 90.0065 90.1645 90.4852 90.6607 91.3918 91.6061 92.3698 92.5375 92.8057 92.9852 93.2189 93.2776 93.6880 94.5103 95.3148 95.9593 96.5501 97.1306 97.2181 97.4412 97.6699 98.2860 98.7322 98.9588 99.6733 99.8509 100.2935 100.3311 100.4092 100.5654 100.8741 101.1646 101.2682 101.3603 101.4811 102.1664 102.4706 102.6768 102.8055 103.1488 103.2871 103.7536 104.5234 105.0899 105.3117 105.6064 105.7559 105.9549 106.3109 106.6191 106.8467 107.0388 107.7433 107.9715 108.4259 108.5137 108.8767 109.7549 110.2843 110.4700 110.9611 111.1053 111.3678 111.5464 111.9230 112.2984 112.4385 112.4919 112.9483 113.4749 113.6183 113.6358 113.8991 113.9786 114.4131 115.0379 115.4552 116.0879 116.3063 116.7726 116.9717 117.0862 117.4627 117.9159 118.1522 118.3333 118.9615 119.1948 119.5136 120.0178 120.8418 121.4021 122.2511 122.4865 123.7334 124.3135 124.5418 125.3836 125.4524 125.8102 126.2211 126.6187 126.7044 127.4130 128.4188 129.0909 129.5119 129.7296 129.8870 131.3034 132.5636 132.8209 134.1969 134.5866 134.8054 135.7945 136.2707 136.5138 136.6599 136.8264 136.9481 137.0574 138.1535 138.4920 138.6726 138.8668 139.0192 139.7586 140.4623 141.4750 141.6874 142.1329 143.3077 144.1783 144.9691 145.1309 145.3476 145.8999 146.2557 146.6526 146.7490 147.1279 147.3743 147.5507 147.5592 147.9021 148.4662 149.0871 150.0571 150.1816 150.9312 151.1170 151.4482 151.9322 152.5227 152.6479 152.7548 152.8842 153.2027 154.2389 154.3860 155.1602 155.6094 156.0976 156.8419 157.2851 157.7392 158.2409 159.6915 161.3885 162.6844 163.7350 166.3668 166.6257 166.8337 168.0172 170.0268 173.5409 178.9804 182.3664 182.8508 183.6726 184.4583 186.6199 187.2079 187.5582 188.1885 188.6017 188.8388 189.1073 189.2730 189.4844 189.9163 190.0322 190.9395 191.4563 191.8450 192.0369 194.8880 195.8100 198.0090 198.8418 199.6842 201.6976 210.7083 219.4280 230.3792 246.8072 247.1238 247.5180 247.8495 255.4690 256.6685 259.4056 260.7820 262.2260 430.9103 523.9076 527.4973 538.8962 631.7871 633.2937 635.9909 642.4106 642.5717 645.6669 1199.5980 1200.9656 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 S S S P O O C C C C C C H H H H H H H H H H H H H H H -0.191206 -0.104604 -0.364585 0.624671 -0.301233 -0.333909 -0.110388 -0.152094 -0.130241 -0.236036 -0.130979 -0.121168 0.112143 0.124699 0.121397 0.093998 0.101021 0.078311 0.087815 0.085186 0.074957 0.098443 0.119819 0.120728 0.113771 0.103780 0.115702 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 S S S P O O C C C C C C H H H H H H H H H H H H H H H 16.1912 16.1046 16.3646 14.3753 8.3012 8.3339 6.1104 6.1521 6.1302 6.2360 6.1310 6.1212 0.8879 0.8753 0.8786 0.9060 0.8990 0.9217 0.9122 0.9148 0.9250 0.9016 0.8802 0.8793 0.8862 0.8962 0.8843 16.0000 16.0000 16.0000 15.0000 8.0000 8.0000 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 -0.1912 -0.1046 -0.3646 0.6247 -0.3012 -0.3339 -0.1104 -0.1521 -0.1302 -0.2360 -0.1310 -0.1212 0.1121 0.1247 0.1214 0.0940 0.1010 0.0783 0.0878 0.0852 0.0750 0.0984 0.1198 0.1207 0.1138 0.1038 0.1157 2.2708 2.2060 2.1023 5.4168 2.1141 2.0885 3.8713 3.9420 3.9833 3.9088 3.8763 3.8802 1.0103 1.0404 1.0325 1.0178 1.0044 1.0078 1.0136 1.0065 1.0046 1.0035 0.9891 0.9923 1.0020 0.9948 0.9917 2.2708 2.2060 2.1023 5.4168 2.1141 2.0885 3.8713 3.9420 3.9833 3.9088 3.8763 3.8802 1.0103 1.0404 1.0325 1.0178 1.0044 1.0078 1.0136 1.0065 1.0046 1.0035 0.9891 0.9923 1.0020 0.9948 0.9917 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 1.0903 0.9449 1.0201 1.0394 1.9145 1.1811 1.1180 0.8944 0.8991 0.9170 0.9771 0.9877 0.9766 0.9982 0.9427 0.9817 0.9941 0.9892 0.9843 0.9884 0.9678 0.9793 0.9801 0.9757 0.9754 0.9801 0 3 0 6 1 7 1 8 2 3 3 4 3 5 4 10 5 11 6 7 6 12 6 13 7 14 7 15 8 9 8 16 8 17 9 18 9 19 9 20 10 21 10 22 10 23 11 24 11 25 11 26 -0.011012873 -1924.231923812568 12.52246 -12.53578 -0.01331 10.30684 -8.60993 1.69692 4.38966 -4.02612 0.36354 1.73547 4.41122