Orca 5.0.2 RELEASE 1 2 3 4 5 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 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 S S O O N N N C C C C C C C H H H H H H H H H H H H H H H 1 1 2 2 3 3 3 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 222.22379999999987 AuxInfo=1/0/N:11,12,9,10,8,13,14,6,7,5,3,4,1,2/E:(1,2)(3,4)(6,7)(8,9)(11,12)(13,14)/CRV:6.3,7.3,11.1,12.1/rA:29nSSO1O1NNNCCCCCC3C3HHHHHHHHHHHHHHH/rB:;;;;;;s5;s1s8;s2s8;s5;s5;s1s3s6;s2s4s7;s8;s9;s9;s10;s10;s11;s11;s11;s12;s12;s12;s6;s6;s7;s7;/rC:-.5623,-2.4091,-.6806;-.1703,2.8541,.9858;1.4126,-3.686,.5849;2.2724,2.1879,.1861;-1.5482,.3316,-.5658;.4945,-4.7339,-1.194;1.6288,4.3215,-.2091;-.3265,.1536,.1866;-.2334,-1.2844,.6986;-.1089,1.0908,1.3804;-2.7627,.4727,.191;-1.4954,1.1803,-1.7297;.6134,-3.712,-.3161;1.4503,3.0646,.2517;.5043,.2979,-.506;.758,-1.5045,1.0943;-.9558,-1.4765,1.4948;-.8823,.9507,2.1389;.8493,.8806,1.8562;-2.8137,-.2683,.9907;-3.6206,.2904,-.4589;-2.9025,1.4669,.6421;-2.3217,.9276,-2.3988;-.5708,.9981,-2.2774;-1.5553,2.254,-1.5135;-.1714,-4.7254,-1.9443;1.1324,-5.5069,-1.1264;.9345,5.0384,-.1039;2.5233,4.5734,-.5916; 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 855 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 126 Dim 666 ENuc 1181.3765254696 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 7.476e-05 Time for diagonalization 0.278 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.244 sec Total time needed 0.526 sec 16 16 8 8 7 7 7 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.22379999999987 AuxInfo=1/0/N:11,12,9,10,8,13,14,6,7,5,3,4,1,2/E:(1,2)(3,4)(6,7)(8,9)(11,12)(13,14)/CRV:6.3,7.3,11.1,12.1/rA:29nSSO1O1NNNCCCCCC3C3HHHHHHHHHHHHHHH/rB:;;;;;;s5;s1s8;s2s8;s5;s5;s1s3s6;s2s4s7;s8;s9;s9;s10;s10;s11;s11;s11;s12;s12;s12;s6;s6;s7;s7;/rC:-.5623,-2.4091,-.6806;-.1703,2.8541,.9858;1.4126,-3.686,.5849;2.2724,2.1879,.1861;-1.5482,.3316,-.5658;.4945,-4.7339,-1.194;1.6288,4.3215,-.2091;-.3265,.1536,.1866;-.2334,-1.2844,.6986;-.1089,1.0908,1.3804;-2.7627,.4727,.191;-1.4954,1.1803,-1.7297;.6134,-3.712,-.3161;1.4503,3.0646,.2517;.5043,.2979,-.506;.758,-1.5045,1.0943;-.9558,-1.4765,1.4948;-.8823,.9507,2.1389;.8493,.8806,1.8562;-2.8137,-.2683,.9907;-3.6206,.2904,-.4589;-2.9025,1.4669,.6421;-2.3217,.9276,-2.3988;-.5708,.9981,-2.2774;-1.5553,2.254,-1.5135;-.1714,-4.7254,-1.9443;1.1324,-5.5069,-1.1264;.9345,5.0384,-.1039;2.5233,4.5734,-.5916; 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 4 222.22379999999987 AuxInfo=1/0/N:11,12,9,10,8,13,14,6,7,5,3,4,1,2/E:(1,2)(3,4)(6,7)(8,9)(11,12)(13,14)/CRV:6.3,7.3,11.1,12.1/rA:29nSSO1O1NNNCCCCCC3C3HHHHHHHHHHHHHHH/rB:;;;;;;s5;s1s8;s2s8;s5;s5;s1s3s6;s2s4s7;s8;s9;s9;s10;s10;s11;s11;s11;s12;s12;s12;s6;s6;s7;s7;/rC:-.5623,-2.4091,-.6806;-.1703,2.8541,.9858;1.4126,-3.686,.5849;2.2724,2.1879,.1861;-1.5482,.3316,-.5658;.4945,-4.7339,-1.194;1.6288,4.3215,-.2091;-.3265,.1536,.1866;-.2334,-1.2844,.6986;-.1089,1.0908,1.3804;-2.7627,.4727,.191;-1.4954,1.1803,-1.7297;.6134,-3.712,-.3161;1.4503,3.0646,.2517;.5043,.2979,-.506;.758,-1.5045,1.0943;-.9558,-1.4765,1.4948;-.8823,.9507,2.1389;.8493,.8806,1.8562;-2.8137,-.2683,.9907;-3.6206,.2904,-.4589;-2.9025,1.4669,.6421;-2.3217,.9276,-2.3988;-.5708,.9981,-2.2774;-1.5553,2.254,-1.5135;-.1714,-4.7254,-1.9443;1.1324,-5.5069,-1.1264;.9345,5.0384,-.1039;2.5233,4.5734,-.5916; -1386.99048160 1181.37652547 -2568.36700707 -4253.70081048 1685.33380342 -2770.15657015 1383.16608855 2.00276496 62.999991728058 62.999991728058 125.999983456116 -94.356336501787 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2420.6731 -2420.3439 -522.8005 -522.4533 -393.3797 -393.0588 -392.1845 -283.3284 -282.9663 -280.6808 -280.5766 -280.2738 -280.0869 -279.8957 -219.2207 -218.8759 -163.5395 -163.4329 -163.3085 -163.1907 -163.0907 -162.9658 -32.0613 -31.7076 -28.6057 -28.3985 -28.0612 -25.4072 -24.6686 -23.0021 -22.4323 -21.1675 -20.6425 -19.2997 -18.8231 -18.3006 -17.7709 -17.4851 -16.6142 -15.9700 -15.6988 -15.2580 -15.1410 -14.7335 -14.6474 -14.4408 -14.2002 -14.0434 -13.8107 -13.1838 -12.9266 -12.8568 -12.5968 -12.0487 -11.7528 -11.4956 -10.5295 -10.2167 -9.8956 -9.7300 -9.3892 -8.9441 -8.0231 2.2587 2.6035 2.8438 2.9073 3.0329 3.3102 3.5774 3.7981 3.9795 4.1961 4.4758 4.6993 4.7731 4.9816 5.1257 5.3523 5.5313 5.6602 5.8425 6.0247 6.1836 6.4167 6.6665 6.8760 7.1855 7.2625 7.4937 7.6386 7.8753 8.0593 8.2036 8.4405 8.7971 8.8667 9.1217 9.2774 9.4081 9.6612 9.7481 10.1896 10.2102 10.5408 10.9628 11.2654 11.3614 11.6907 11.8837 12.0202 12.1058 12.3906 12.5517 12.6815 12.7742 12.8853 12.9364 13.0488 13.1631 13.4445 13.5043 13.6286 13.8970 13.9822 14.1427 14.1636 14.3244 14.3717 14.5554 14.6726 14.7309 14.9794 15.0365 15.2194 15.2438 15.3467 15.5471 15.7126 16.0575 16.1337 16.3344 16.3788 16.6473 16.9619 17.4371 17.7263 17.7491 18.0358 18.1019 18.1630 18.7292 18.8478 19.0533 19.0675 19.4206 19.4628 19.5517 19.7974 20.1446 20.3687 20.5889 20.8436 21.0600 21.2202 21.5652 21.7898 22.4395 22.8214 23.0151 23.3197 23.5534 23.8124 24.3121 24.4875 24.5769 24.6939 25.2961 25.4423 25.8437 26.0260 26.4411 26.8526 27.0931 27.2628 27.3395 27.5070 27.5678 27.7385 27.9863 28.0313 28.1837 28.4485 28.7867 29.0368 29.3029 29.5140 29.9521 30.1201 30.2904 30.4981 30.7255 31.1545 31.3290 31.5578 31.7714 32.0373 32.3698 32.6672 33.1411 33.3699 33.6478 33.9951 34.1675 34.5604 34.8357 34.9733 35.3168 35.3942 35.6839 35.8696 35.9685 36.4287 36.6306 36.8610 37.2932 37.4243 37.6524 37.7615 38.1623 38.2975 38.6094 38.8675 38.9490 39.4389 39.8283 39.8929 39.9820 40.2881 40.5012 40.7122 40.8961 41.1792 41.2939 41.5102 42.0799 42.3143 42.3602 42.4223 42.6130 42.7254 42.8442 43.0578 43.3979 43.6303 43.7674 43.8413 44.1621 44.2773 44.4778 44.8080 44.9472 45.3552 45.5602 45.7825 45.8917 46.1784 46.3164 46.6967 46.9020 47.5074 47.6329 47.9178 48.2930 48.4738 48.6503 48.9046 48.9887 49.0780 49.2626 49.8955 50.0688 50.3451 50.9848 51.1724 51.3109 51.6089 51.7653 51.9756 52.6053 52.9626 53.0590 53.3580 53.4256 53.9464 54.1684 54.3108 55.4865 55.9554 56.1814 56.3006 56.6304 56.7400 56.9603 57.4046 57.6483 58.1741 58.7183 59.0876 59.2671 59.5679 60.0314 60.7887 61.1489 61.2429 61.4391 61.7618 62.1495 62.2846 63.2943 63.6417 63.6752 63.7517 64.4469 64.5967 65.0255 65.2710 65.4658 65.7276 66.4834 66.7444 67.0407 68.1393 68.6907 69.6044 70.9652 71.9038 72.2646 72.4771 73.0647 73.4656 73.8009 74.2923 74.7763 74.9906 75.4932 75.6951 76.1384 76.4380 76.7373 76.9599 77.1184 77.3227 77.7193 77.9090 78.1922 78.4792 78.5258 79.0104 79.3092 79.4407 79.7775 80.1099 80.4447 80.6529 81.0959 81.5703 81.9370 82.1755 82.4506 82.6724 82.8843 83.0388 83.3724 83.5354 83.5659 83.8230 84.2348 84.3197 84.6671 85.0443 85.2181 85.3382 85.6067 85.9092 85.9916 86.2072 86.4214 86.7694 87.2100 87.8211 87.8999 88.1714 88.3312 88.5329 88.9243 89.0260 89.2201 89.6657 89.7493 90.0518 90.4819 90.7218 90.7872 90.9721 91.0398 91.3047 91.4711 91.6622 91.8740 92.1829 92.5162 92.7393 92.9511 93.8333 94.3164 94.5421 94.7624 94.8963 95.1834 95.3226 95.4684 95.5561 95.7480 96.0961 96.3406 96.4493 96.6461 97.2818 97.4511 97.5537 97.7613 97.8196 97.9777 98.3195 98.6343 99.0785 99.4125 99.5861 99.6508 100.2570 100.5391 100.6166 100.9806 101.1589 101.3550 101.4534 101.9699 102.0520 102.6136 102.7444 103.2120 103.4336 103.6764 103.9000 104.3191 104.7070 104.8990 105.0634 105.3907 105.5839 105.7672 106.0698 106.2896 106.5978 107.1782 107.3489 107.6338 108.1322 108.5393 109.0068 109.6939 110.0664 110.4492 110.6737 110.7180 110.8878 111.2676 111.4628 112.3415 112.6586 112.7348 112.8800 112.9338 113.1503 113.2485 113.5603 113.7640 113.7940 113.8674 114.0684 114.8727 114.9522 115.3949 115.5286 115.6999 116.1359 116.3680 116.6037 116.8344 116.9236 117.3464 117.8686 118.0715 118.3403 118.5013 118.8529 119.3849 119.4749 120.2548 120.3857 121.4228 121.9651 122.3574 122.6890 122.7639 123.1285 123.5345 123.9204 124.3567 124.8346 125.1613 126.0670 126.7606 127.1554 127.2080 127.3952 128.2457 129.6393 129.9702 130.0591 130.1678 130.2510 130.5218 130.6963 131.4141 131.4449 131.6626 132.0965 132.5322 133.2401 133.6502 133.9614 134.0576 134.3241 134.7469 135.8799 137.1479 138.1140 138.6138 139.3028 139.4219 139.7449 139.8477 140.0199 140.3877 141.0119 141.4724 141.8281 141.9516 142.4192 142.7672 143.1011 144.1116 144.4952 145.0281 145.2407 145.4739 145.7615 146.0161 146.3838 146.6115 146.9784 147.5750 147.9377 149.2415 149.6065 150.0691 150.4885 150.9156 151.2547 151.5184 151.8650 152.3622 152.6323 152.8860 153.0995 154.0008 154.3927 154.6426 155.0181 155.3393 155.5065 155.6128 156.1260 156.1646 156.3927 156.6963 156.9702 157.3627 157.9106 158.1667 158.1797 158.3757 159.0925 159.2062 159.7518 161.0900 163.4760 164.1960 164.5807 165.4962 167.4427 169.6095 169.9833 170.6120 170.7092 171.0948 175.7830 175.8926 176.6864 177.0409 177.6525 178.0001 181.3041 181.5683 182.0606 182.4535 186.1851 186.8305 187.5467 187.8743 188.2311 188.5974 189.2332 189.7641 190.6738 191.2571 192.5482 192.6706 195.2099 195.5082 198.0116 198.5531 201.5491 202.1624 247.0005 248.0579 257.6200 258.1549 262.4917 263.3960 542.2280 542.8803 633.1997 634.0578 634.8024 636.7650 637.3407 647.5574 647.9873 894.5720 894.6412 902.1901 1196.3654 1197.0825 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 S S O O N N N C C C C C C C H H H H H H H H H H H H H H H -0.100336 -0.125094 -0.385929 -0.380226 -0.221458 -0.251374 -0.251164 0.009315 -0.156856 -0.153738 -0.188675 -0.170092 0.301322 0.311917 0.104155 0.136638 0.096412 0.124419 0.132966 0.091676 0.097446 0.078667 0.092582 0.087676 0.078424 0.151759 0.165631 0.153962 0.169974 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 S S O O N N N C C C C C C C H H H H H H H H H H H H H H H 16.1003 16.1251 8.3859 8.3802 7.2215 7.2514 7.2512 5.9907 6.1569 6.1537 6.1887 6.1701 5.6987 5.6881 0.8958 0.8634 0.9036 0.8756 0.8670 0.9083 0.9026 0.9213 0.9074 0.9123 0.9216 0.8482 0.8344 0.8460 0.8300 16.0000 16.0000 8.0000 8.0000 7.0000 7.0000 7.0000 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 -0.1003 -0.1251 -0.3859 -0.3802 -0.2215 -0.2514 -0.2512 0.0093 -0.1569 -0.1537 -0.1887 -0.1701 0.3013 0.3119 0.1042 0.1366 0.0964 0.1244 0.1330 0.0917 0.0974 0.0787 0.0926 0.0877 0.0784 0.1518 0.1656 0.1540 0.1700 2.3687 2.2989 2.1261 2.1295 2.8577 3.1642 3.1781 3.9678 3.9502 3.9063 3.9535 3.9264 4.3429 4.3160 1.0233 1.0371 1.0103 1.0052 1.0311 0.9965 1.0005 0.9931 0.9981 1.0044 1.0013 1.0297 1.0253 1.0282 1.0224 2.3687 2.2989 2.1261 2.1295 2.8577 3.1642 3.1781 3.9678 3.9502 3.9063 3.9535 3.9264 4.3429 4.3160 1.0233 1.0371 1.0103 1.0052 1.0311 0.9965 1.0005 0.9931 0.9981 1.0044 1.0013 1.0297 1.0253 1.0282 1.0224 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 1.0165 1.1563 0.9748 1.1307 1.9529 1.9502 0.9422 0.9470 0.9641 1.1988 0.9805 0.9611 1.2032 0.9798 0.9589 0.9580 0.9258 1.0021 0.9909 0.9853 0.9743 1.0009 0.9818 0.9886 0.9813 0.9875 0.9866 0.9788 0 8 0 12 1 9 1 13 2 12 3 13 4 7 4 10 4 11 5 12 5 25 5 26 6 13 6 27 6 28 7 8 7 9 7 14 8 15 8 16 9 17 9 18 10 19 10 20 10 21 11 22 11 23 11 24 -0.012964005 -1387.003445602219 -8.44954 7.65749 -0.79205 3.60550 -2.72193 0.88358 -2.53177 1.76691 -0.76486 1.41176 3.58840