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:-.5393,1.6332,-.0703;2.0938,.0721,-1.685;.0249,-1.4657,1.3138;-1.2542,-.2194,.6287;-2.3896,.1323,1.6952;-2.1601,-.686,-.6111;1.2037,1.6662,.4473;2.146,1.6127,-.7454;3.0715,-1.0088,-.6032;2.9649,-2.4416,-1.0923;-3.4299,1.0645,1.4318;-1.5442,-1.1708,-1.7998;1.3795,.8419,1.1399;1.3479,2.5979,.9965;3.1686,1.7899,-.4017;1.9127,2.4121,-1.4502;4.1101,-.6726,-.6057;2.6867,-.9431,.4144;3.5781,-3.0953,-.4723;1.9352,-2.7922,-1.0302;3.306,-2.5445,-2.1228;-4.0765,.7272,.6214;-3.0283,2.0503,1.1874;-4.0159,1.1425,2.3443;-.9094,-2.032,-1.5867;-.9358,-.3981,-2.2715;-2.3475,-1.4672,-2.4701; 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 1308.4653439370 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 1.850e-04 Time for diagonalization 0.135 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.067 sec Total time needed 0.204 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:-.5393,1.6332,-.0703;2.0938,.0721,-1.685;.0249,-1.4657,1.3138;-1.2542,-.2194,.6287;-2.3896,.1323,1.6952;-2.1601,-.686,-.6111;1.2037,1.6662,.4473;2.146,1.6127,-.7454;3.0715,-1.0088,-.6032;2.9649,-2.4416,-1.0923;-3.4299,1.0645,1.4318;-1.5442,-1.1708,-1.7998;1.3795,.8419,1.1399;1.3479,2.5979,.9965;3.1686,1.7899,-.4017;1.9127,2.4121,-1.4502;4.1101,-.6726,-.6057;2.6867,-.9431,.4144;3.5781,-3.0953,-.4723;1.9352,-2.7922,-1.0302;3.306,-2.5445,-2.1228;-4.0765,.7272,.6214;-3.0283,2.0503,1.1874;-4.0159,1.1425,2.3443;-.9094,-2.032,-1.5867;-.9358,-.3981,-2.2715;-2.3475,-1.4672,-2.4701; 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:-.5393,1.6332,-.0703;2.0938,.0721,-1.685;.0249,-1.4657,1.3138;-1.2542,-.2194,.6287;-2.3896,.1323,1.6952;-2.1601,-.686,-.6111;1.2037,1.6662,.4473;2.146,1.6127,-.7454;3.0715,-1.0088,-.6032;2.9649,-2.4416,-1.0923;-3.4299,1.0645,1.4318;-1.5442,-1.1708,-1.7998;1.3795,.8419,1.1399;1.3479,2.5979,.9965;3.1686,1.7899,-.4017;1.9127,2.4121,-1.4502;4.1101,-.6726,-.6057;2.6867,-.9431,.4144;3.5781,-3.0953,-.4723;1.9352,-2.7922,-1.0302;3.306,-2.5445,-2.1228;-4.0765,.7272,.6214;-3.0283,2.0503,1.1874;-4.0159,1.1425,2.3443;-.9094,-2.032,-1.5867;-.9358,-.3981,-2.2715;-2.3475,-1.4672,-2.4701; -1924.21868224 1308.46534394 -3232.68402618 -5256.43615464 2023.75212846 -3843.89789519 1919.67921295 2.00236470 64.999985626832 64.999985626832 129.999971253663 -112.338262753337 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 -2420.6869 -2420.0712 -2419.2569 -2102.9958 -524.4051 -524.4046 -281.2822 -281.0882 -280.8589 -280.6769 -280.2588 -279.4010 -219.2395 -218.5899 -217.8425 -184.2674 -163.5416 -163.4635 -163.3283 -162.9166 -162.8154 -162.6620 -162.1516 -161.9969 -161.9866 -134.0110 -133.9934 -133.9473 -32.7208 -31.5732 -25.9823 -24.8260 -24.0611 -23.0265 -22.2842 -21.9936 -21.4023 -19.9333 -18.6635 -18.1865 -17.0793 -16.4833 -15.9872 -15.6763 -15.4184 -15.3734 -15.0050 -14.9484 -14.4963 -14.2999 -13.6120 -13.0709 -12.8919 -12.3817 -12.2479 -12.2122 -11.8665 -11.7582 -11.2584 -10.8938 -10.6536 -9.7265 -9.1561 -9.0615 -8.4752 1.7873 2.6842 2.8285 2.9654 3.2653 3.5372 3.6436 3.9295 4.0796 4.2688 4.4075 4.5909 4.7078 4.8737 5.0562 5.2872 5.3569 5.4163 5.5475 5.7811 5.9801 6.1156 6.3602 6.7259 6.8653 6.9904 7.4409 7.5207 7.5589 7.8391 8.0938 8.2702 8.3596 8.4845 8.5657 8.7260 8.9190 9.1952 9.4199 9.5271 9.6990 10.0052 10.1930 10.4950 10.5594 11.0097 11.3047 11.5089 11.6233 11.9885 12.0886 12.3521 12.4375 12.6162 12.9663 13.0725 13.1650 13.5512 13.6271 13.7194 13.9584 14.0707 14.1362 14.1979 14.3806 14.4758 14.5608 14.5815 14.9009 14.9668 14.9993 15.1298 15.2880 15.4236 15.6399 15.8598 15.8911 16.3262 16.4649 16.5166 16.8989 17.0309 17.2612 17.5093 17.6582 17.9522 18.1364 18.4639 18.7991 18.8526 19.4532 19.6172 19.7571 20.1250 20.2800 20.4469 21.2894 21.4521 21.7130 21.9331 22.1952 22.5876 22.7668 23.0859 23.2849 23.5049 23.7130 23.9200 24.3162 24.5635 24.8186 25.3651 25.6144 25.9145 25.9894 26.0832 26.4590 26.5866 26.9789 27.2344 27.6938 27.7938 27.9542 28.0179 28.1586 28.2642 28.6321 28.8300 29.0800 29.2743 29.5004 29.7706 29.9136 30.0287 30.4589 30.7155 30.8734 30.9276 31.3983 31.4588 31.7076 32.0404 32.3581 32.6128 32.7027 33.0190 33.1005 33.4363 33.6068 33.6907 34.0353 34.2031 34.5874 34.7453 35.2482 35.8074 36.0792 36.1957 36.6448 37.0535 37.1714 37.8765 38.3135 38.5629 38.6978 39.0570 39.5606 39.7552 40.0532 40.3185 40.5185 40.6834 40.9049 40.9438 41.0634 41.2076 41.3024 41.5461 41.6983 41.8124 41.8275 42.2153 42.4939 42.6304 42.6958 43.0174 43.0429 43.3156 43.4545 43.9286 43.9716 44.2471 44.3775 44.5825 44.7875 45.1245 45.1425 45.3705 45.6309 46.0477 46.0632 46.3324 46.6468 46.8254 46.9181 47.3678 47.6905 47.8955 48.0557 48.2418 48.2991 48.5973 49.0128 49.1963 49.4909 49.5371 49.7779 50.1638 50.4926 50.8614 51.3590 51.6326 51.9432 52.2955 52.6639 53.4221 53.4909 53.6628 54.0293 54.2010 54.5371 54.8762 54.9890 55.2855 55.7776 56.0316 56.3123 56.3863 57.0863 57.4130 57.9824 58.0755 58.4539 58.5439 59.4951 59.6625 59.8691 60.1715 60.7036 61.2147 61.5239 61.5707 62.4613 62.5782 63.0381 63.6434 64.1865 64.2496 65.1812 65.3898 65.6301 66.5690 66.8232 67.5817 67.8151 68.3957 68.7568 69.4078 69.7875 70.3301 70.7306 71.0873 71.3922 71.6442 71.9819 72.2662 72.4794 72.7949 72.9630 73.2817 73.4981 73.7190 73.8531 74.6095 75.3242 75.4800 75.6268 75.9294 76.2194 76.6441 76.9912 77.4160 78.4963 78.7153 78.9907 79.1385 79.4512 80.0250 80.6056 80.6217 81.0464 81.3191 81.3642 81.6518 81.7596 81.9071 82.3619 82.8423 83.0365 83.2315 83.6114 83.8878 84.2632 84.3927 84.6695 84.9751 85.0227 85.2608 85.6507 85.8413 86.1882 86.2626 86.8943 87.1304 87.6501 87.7479 87.8948 88.0586 88.3881 88.5975 89.1197 89.6254 89.8377 90.0333 90.2185 90.7504 90.9368 91.2594 91.5028 92.7511 93.0720 93.2920 93.4915 93.6071 93.7550 94.1146 94.5753 94.8114 95.8468 97.0097 97.1032 97.3997 97.4864 97.8008 97.8774 98.8108 98.9421 99.7393 99.9376 100.2941 100.5416 100.6437 100.7292 101.0694 101.1960 101.4625 101.5823 102.0256 102.2689 102.4892 102.7584 103.2982 103.7698 104.0544 104.2048 104.2422 104.6161 105.0858 105.6792 106.0005 106.2152 106.4408 106.8097 106.9545 107.1925 107.3114 107.9186 108.0742 108.6764 109.1889 109.9168 110.3143 110.6404 111.2392 111.4886 111.5594 111.7277 111.9429 112.0598 112.4661 112.7568 113.0654 113.3827 113.8313 114.0282 114.1176 114.3375 114.5054 115.2111 115.3469 116.2940 116.4849 116.7455 117.1351 117.2236 117.5143 117.8533 118.2062 118.3743 118.6759 118.7837 119.6462 120.0758 120.6936 120.8039 121.5170 122.3479 123.6503 124.2226 124.4304 124.8877 125.7637 125.9243 126.5491 126.9348 127.0730 127.4820 128.1425 129.5275 130.1765 130.6640 131.0611 131.5977 132.6865 133.1012 134.3078 134.6975 135.0691 135.4643 136.2944 136.5317 136.5770 137.0109 137.1347 137.1852 137.3379 138.3500 138.4982 138.8654 138.9501 139.4900 139.9581 141.4301 141.9234 142.1970 144.3536 144.8419 144.9542 145.3009 145.8021 146.1768 146.4468 146.8341 147.1972 147.6115 147.7047 147.7996 148.4972 148.5961 149.1654 149.5964 149.8271 150.4483 150.6743 151.0471 151.3120 151.5689 151.8338 152.8978 153.0571 153.1933 153.4989 154.3269 154.6534 155.2711 155.7752 155.9592 156.3421 157.1023 157.4244 158.1444 159.6684 161.4226 162.7569 163.8537 166.3931 166.7135 167.2954 168.1786 170.0627 173.6120 178.8620 182.6415 183.0279 183.7404 184.5390 187.0142 187.5984 187.7737 188.1317 188.7279 189.3172 189.4369 189.9821 190.0544 190.2695 190.8066 190.9286 191.8532 192.8974 192.9942 195.0281 195.9363 198.3296 198.7535 199.9730 201.9873 210.7961 219.7792 230.3499 246.9358 247.7548 248.8591 250.1693 255.1750 256.4794 259.3732 261.0092 262.9197 431.1496 524.2965 530.5189 540.5638 631.6108 633.8160 636.1684 642.3202 642.7038 645.8948 1199.3026 1200.2049 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 -0.190269 -0.113341 -0.378065 0.652048 -0.302155 -0.322787 -0.108919 -0.137144 -0.150178 -0.242187 -0.136472 -0.116371 0.103325 0.115555 0.098589 0.109195 0.097740 0.095960 0.085137 0.080553 0.091085 0.118964 0.102279 0.118107 0.105893 0.106963 0.116496 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 16.1903 16.1133 16.3781 14.3480 8.3022 8.3228 6.1089 6.1371 6.1502 6.2422 6.1365 6.1164 0.8967 0.8844 0.9014 0.8908 0.9023 0.9040 0.9149 0.9194 0.9089 0.8810 0.8977 0.8819 0.8941 0.8930 0.8835 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 -0.1903 -0.1133 -0.3781 0.6520 -0.3022 -0.3228 -0.1089 -0.1371 -0.1502 -0.2422 -0.1365 -0.1164 0.1033 0.1156 0.0986 0.1092 0.0977 0.0960 0.0851 0.0806 0.0911 0.1190 0.1023 0.1181 0.1059 0.1070 0.1165 2.2616 2.2058 2.0846 5.4146 2.1527 2.0915 3.8616 3.9811 4.0098 3.9268 3.8854 3.8846 1.0543 1.0125 1.0119 1.0103 1.0040 1.0024 1.0052 1.0215 1.0056 0.9904 0.9974 0.9902 0.9967 0.9981 0.9943 2.2616 2.2058 2.0846 5.4146 2.1527 2.0915 3.8616 3.9811 4.0098 3.9268 3.8854 3.8846 1.0543 1.0125 1.0119 1.0103 1.0040 1.0024 1.0052 1.0215 1.0056 0.9904 0.9974 0.9902 0.9967 0.9981 0.9943 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 1.0783 0.9468 1.0314 1.0467 1.8675 1.2205 1.1355 0.8993 0.8938 0.9383 0.9686 0.9833 0.9872 0.9861 0.9635 0.9825 0.9801 0.9861 0.9859 0.9928 0.9780 0.9693 0.9799 0.9774 0.9732 0.9821 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 -0.012437171 -1924.231119410283 8.60880 -8.61064 -0.00184 -1.32484 2.20008 0.87523 -5.27730 4.96772 -0.30958 0.92837 2.35974