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 29 S O N N 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 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 5 172.16339999999997 AuxInfo=1/0/N:12,8,9,11,5,7,6,10,4,3,2,1/E:(2,3)/CRV:8.3,11.1/rA:30nSO1NNCCCCCC3CCHHHHHHHHHHHHHHHHHH/rB:;;;;s3s5;s4s5;s3;s3;s1s2s4;s1;s11;s5;s5;s6;s6;s7;s7;s8;s8;s8;s9;s9;s9;s4;s11;s11;s12;s12;s12;/rC:-2.4669,-.4723,1.1906;-1.4342,-1.0435,-1.1862;3.2179,1.3655,.0951;-.1213,-1.4589,.6139;1.8684,-.6576,-.6626;2.4695,.1753,.47;1.0604,-1.8391,-.1414;4.3681,1.0581,-.7297;2.383,2.3634,-.5417;-1.2416,-1.0308,.0174;-3.7543,.1661,.0833;-3.4423,1.5357,-.4845;1.2361,-.0436,-1.3088;2.6627,-1.0609,-1.2959;3.1317,-.4684,1.058;1.674,.4928,1.1499;1.6735,-2.4518,.5197;.7583,-2.4835,-.9664;4.1209,.6918,-1.7353;4.9869,.3017,-.2444;4.9834,1.9506,-.8563;2.0211,2.0838,-1.5407;2.9376,3.2969,-.6523;1.5105,2.5742,.0784;-.0043,-1.2977,1.6031;-3.939,-.5693,-.6985;-4.6499,.2001,.7038;-3.3071,2.271,.3078;-2.5421,1.5257,-1.0972;-4.2691,1.8699,-1.1133; 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 788 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 104 Dim 635 ENuc 843.3236857216 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 8.566e-05 Time for diagonalization 0.141 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.074 sec Total time needed 0.217 sec 16 8 7 7 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 1 172.16339999999997 AuxInfo=1/0/N:12,8,9,11,5,7,6,10,4,3,2,1/E:(2,3)/CRV:8.3,11.1/rA:30nSO1NNCCCCCC3CCHHHHHHHHHHHHHHHHHH/rB:;;;;s3s5;s4s5;s3;s3;s1s2s4;s1;s11;s5;s5;s6;s6;s7;s7;s8;s8;s8;s9;s9;s9;s4;s11;s11;s12;s12;s12;/rC:-2.4669,-.4723,1.1906;-1.4342,-1.0435,-1.1862;3.2179,1.3655,.0951;-.1213,-1.4589,.6139;1.8684,-.6576,-.6626;2.4695,.1753,.47;1.0604,-1.8391,-.1414;4.3681,1.0581,-.7297;2.383,2.3634,-.5417;-1.2416,-1.0308,.0174;-3.7543,.1661,.0833;-3.4423,1.5357,-.4845;1.2361,-.0436,-1.3088;2.6627,-1.0609,-1.2959;3.1317,-.4684,1.058;1.674,.4928,1.1499;1.6735,-2.4518,.5197;.7583,-2.4835,-.9664;4.1209,.6918,-1.7353;4.9869,.3017,-.2444;4.9834,1.9506,-.8563;2.0211,2.0839,-1.5407;2.9376,3.2969,-.6523;1.5105,2.5742,.0784;-.0043,-1.2977,1.6031;-3.939,-.5693,-.6985;-4.6499,.2001,.7038;-3.3071,2.271,.3078;-2.5421,1.5257,-1.0972;-4.2691,1.8699,-1.1133; 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 cpcm smd true smdsolvent "WATER" 172.16339999999997 AuxInfo=1/0/N:12,8,9,11,5,7,6,10,4,3,2,1/E:(2,3)/CRV:8.3,11.1/rA:30nSO1NNCCCCCC3CCHHHHHHHHHHHHHHHHHH/rB:;;;;s3s5;s4s5;s3;s3;s1s2s4;s1;s11;s5;s5;s6;s6;s7;s7;s8;s8;s8;s9;s9;s9;s4;s11;s11;s12;s12;s12;/rC:-2.4669,-.4723,1.1906;-1.4342,-1.0435,-1.1862;3.2179,1.3655,.0951;-.1213,-1.4589,.6139;1.8684,-.6576,-.6626;2.4695,.1753,.47;1.0604,-1.8391,-.1414;4.3681,1.0581,-.7297;2.383,2.3634,-.5417;-1.2416,-1.0308,.0174;-3.7543,.1661,.0833;-3.4423,1.5357,-.4845;1.2361,-.0436,-1.3088;2.6627,-1.0609,-1.2959;3.1317,-.4684,1.058;1.674,.4928,1.1499;1.6735,-2.4518,.5197;.7583,-2.4835,-.9664;4.1209,.6918,-1.7353;4.9869,.3017,-.2444;4.9834,1.9506,-.8563;2.0211,2.0838,-1.5407;2.9376,3.2969,-.6523;1.5105,2.5742,.0784;-.0043,-1.2977,1.6031;-3.939,-.5693,-.6985;-4.6499,.2001,.7038;-3.3071,2.271,.3078;-2.5421,1.5257,-1.0972;-4.2691,1.8699,-1.1133; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM S O N C H 2.4900 1.5200 1.8900 1.8500 1.2000 Solvent: WATER Soln 1.3328 Soln25 1.3323 Sola 0.0000 Solb 0.0000 Solg 0.0000 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 1782 GEPOL Volume 1524.4214 GEPOL Surface-area 903.4136 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.2s) Overall time for CPCM initialization 0.3s -898.70455021 843.32368572 -1742.02823593 -2903.16454627 1161.13631033 -0.02580561 -1794.36764118 895.66309097 2.00339576 52.000037631033 52.000037631033 104.000075262066 -68.688320971795 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2420.5556 -522.8833 -393.2095 -392.0527 -283.2314 -280.4239 -280.3747 -279.8723 -279.6645 -279.6637 -279.2317 -279.2291 -219.0978 -163.4162 -163.3072 -163.1903 -32.0322 -28.6612 -28.1572 -25.2005 -24.2266 -22.7469 -22.0420 -21.7694 -20.3507 -19.3731 -18.9447 -18.1194 -16.6578 -16.0027 -15.6956 -15.5040 -15.1651 -15.0116 -14.6773 -14.3667 -13.9006 -13.6380 -13.3957 -13.0860 -12.9256 -12.5933 -12.1835 -12.1208 -12.0272 -11.8310 -11.5630 -11.3810 -10.0939 -9.9294 -9.0578 -8.1882 2.4801 2.6808 3.1612 3.8182 3.9504 4.1801 4.2274 4.4632 4.7126 4.9432 5.0468 5.1570 5.2192 5.4686 5.5119 5.7361 5.8867 6.1013 6.2438 6.3834 6.7213 6.8639 7.0076 7.1444 7.3750 7.5335 7.8638 7.8700 8.0620 8.3269 8.4651 8.5608 8.6776 8.8262 9.0085 9.1868 9.5319 9.6994 9.8934 10.3446 10.5345 10.7947 10.9482 11.1787 11.5661 11.6067 11.9890 12.1131 12.2009 12.5526 12.7408 12.7472 12.9059 13.1419 13.3557 13.5687 13.6582 13.8510 14.0289 14.0991 14.2139 14.2958 14.4170 14.5911 14.7544 14.8370 14.9065 15.0851 15.2123 15.3851 15.4536 15.6125 15.8479 15.9682 16.0293 16.2557 16.3663 16.5416 16.5940 16.8215 17.2681 17.4156 17.8861 18.0497 18.1409 18.2412 18.5240 19.0212 19.1249 19.4315 19.6679 19.8579 20.1952 20.6384 20.8773 21.3431 21.6782 21.9090 22.1448 22.3042 23.0179 23.4022 23.7030 23.7586 24.1183 24.3861 24.8115 25.0610 25.2789 25.5417 25.8506 26.0399 26.3851 26.7610 27.2492 27.4220 27.6794 27.7120 28.0391 28.2801 28.4206 28.6528 28.8940 29.1743 29.4452 29.6275 29.7428 29.9240 30.1118 30.1767 30.4877 30.8739 30.9045 30.9572 31.3793 31.7048 31.8153 32.1001 32.4687 32.6658 32.8738 33.1284 33.3453 33.5840 33.6861 33.8962 34.0615 34.5379 34.6502 34.8804 35.1968 35.4461 35.8242 36.1604 36.2214 36.4257 36.6771 37.0811 37.1990 37.4317 37.9745 38.2318 38.3989 38.6162 38.7849 39.4983 39.6458 39.6974 40.2162 40.3166 40.9232 41.0599 41.3347 41.4934 41.7302 41.8634 41.9597 42.0555 42.2456 42.3364 42.4185 42.6102 42.9484 43.1086 43.3095 43.5440 43.6383 43.8677 44.0297 44.2181 44.4848 44.5322 44.9046 45.0128 45.1958 45.5778 45.7845 45.9362 46.2554 46.4733 46.6657 47.2392 47.3293 47.4761 47.6589 48.2601 48.4825 48.7467 48.8336 49.2883 49.9172 50.2710 50.5765 51.2107 51.3628 51.7580 51.8027 52.1658 52.7416 52.8923 53.3050 53.4395 54.1831 54.6508 55.1242 55.7562 56.2180 56.8896 57.0516 58.2147 58.6029 58.7958 59.0484 59.6005 59.9512 60.3285 60.4512 60.8277 61.0499 61.2494 62.1664 62.4116 62.7845 64.0220 64.6299 64.9131 65.4562 65.6097 66.3682 66.8861 67.3123 67.9951 68.2833 69.9087 70.0720 70.8783 71.2500 71.4447 72.0537 72.2429 72.3952 72.7232 73.1786 73.4559 73.4793 73.6800 73.8985 74.0058 74.2392 74.5960 74.9113 74.9988 75.5156 75.8141 76.4660 77.0573 77.4112 77.5759 77.7466 78.8226 79.1143 79.1432 79.2119 79.3671 79.7554 80.2937 80.4698 80.8028 81.0642 81.3148 81.5697 81.7912 82.1893 82.4166 82.5870 82.8851 82.9355 83.2327 83.5789 83.7828 83.9740 84.0342 84.5612 84.9737 85.0625 85.4825 85.5452 85.8898 86.0779 86.1172 86.5491 86.7548 86.8376 87.1306 87.2968 87.7672 87.8760 88.0170 88.2349 88.4831 88.8936 89.0295 89.1417 89.3753 89.3956 89.8391 90.1054 90.6353 90.7881 90.9988 91.4015 91.5737 91.8640 91.9627 92.1496 92.3809 92.7520 93.5398 93.5639 93.7484 94.0344 94.2082 94.8398 95.1162 95.2408 95.3704 96.1541 96.2524 96.9221 96.9388 97.3715 97.6587 97.7708 97.9837 98.0874 98.3275 98.4473 98.7770 99.1555 99.3286 99.4608 99.8626 100.1313 100.7546 100.8243 101.0022 101.1888 101.2309 101.5053 101.7060 101.9643 102.4124 102.4311 103.0567 103.3945 103.8736 103.9089 104.4677 104.6329 105.1981 105.4846 105.6351 105.8610 105.9739 106.1303 106.6846 106.8903 107.0702 107.3628 107.6608 107.8721 108.1001 108.1799 108.5116 108.8622 109.0880 109.1313 109.8014 110.1336 110.3049 110.6607 110.8558 111.2969 111.9294 112.1943 112.2451 112.7065 112.9919 113.1235 113.4374 113.5822 113.6941 113.9486 114.2893 114.5624 114.7549 114.8696 114.9737 115.0763 115.5465 115.6065 115.6937 115.8376 116.7495 116.8874 117.2606 117.4592 117.7155 117.8731 118.3934 118.4936 118.9174 119.0614 119.2917 119.5677 119.8124 119.9633 120.1239 120.4731 120.7528 121.1810 121.3049 121.7600 121.9125 122.2289 122.6196 122.7834 123.0577 123.1521 123.4193 123.6870 125.0067 125.1960 126.9715 127.4248 127.6923 127.9972 128.3119 128.8749 129.5688 129.7237 129.8597 130.0678 130.3278 130.6156 131.1638 131.3096 132.8546 133.0848 133.5595 133.7429 134.0677 134.5956 134.7935 135.4118 135.6490 136.1760 136.2967 136.8146 137.2042 137.4861 137.7464 138.3666 138.7455 139.1810 139.2474 139.6625 140.4268 141.0296 141.4621 141.7194 142.1879 142.7567 143.2950 143.5395 143.6561 144.0957 144.4990 144.7714 145.0748 145.4017 145.5650 145.8155 146.0727 147.0415 147.6436 147.8524 147.9784 148.1164 148.2784 148.3222 148.5523 149.0243 149.6957 149.9124 150.0127 150.5936 150.7132 151.1900 151.7955 151.8732 152.0183 152.5045 152.6976 152.8338 153.1743 153.8044 154.3719 154.6447 155.2887 155.5355 155.8479 156.1601 156.7237 156.7791 157.0440 157.2228 157.5622 157.6883 158.1601 158.2789 158.9380 159.0787 159.7254 160.4259 160.5777 161.7721 162.0759 163.1576 165.5352 166.5669 167.1654 169.2613 170.9709 171.6369 175.3864 176.8164 178.0374 181.7725 184.1539 187.5516 187.9138 188.9941 189.3909 191.8868 194.6682 197.7831 200.7368 245.9847 257.4733 261.7576 541.1511 633.0244 636.1686 639.3689 640.1517 642.1835 646.0894 646.9471 648.6304 896.1027 899.5855 1197.6532 -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 S O N N 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 -0.118909 -0.540789 -0.249286 -0.194845 -0.115854 -0.080926 -0.058375 -0.208321 -0.206273 0.335332 -0.072051 -0.259439 0.074216 0.084720 0.090287 0.084957 0.109270 0.106774 0.080933 0.101113 0.101997 0.079584 0.101578 0.099663 0.175016 0.095575 0.115527 0.085370 0.087064 0.096093 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 S O N N 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 16.1189 8.5408 7.2493 7.1948 6.1159 6.0809 6.0584 6.2083 6.2063 5.6647 6.0721 6.2594 0.9258 0.9153 0.9097 0.9150 0.8907 0.8932 0.9191 0.8989 0.8980 0.9204 0.8984 0.9003 0.8250 0.9044 0.8845 0.9146 0.9129 0.9039 16.0000 8.0000 7.0000 7.0000 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 -0.1189 -0.5408 -0.2493 -0.1948 -0.1159 -0.0809 -0.0584 -0.2083 -0.2063 0.3353 -0.0721 -0.2594 0.0742 0.0847 0.0903 0.0850 0.1093 0.1068 0.0809 0.1011 0.1020 0.0796 0.1016 0.0997 0.1750 0.0956 0.1155 0.0854 0.0871 0.0961 2.3272 1.9539 2.8923 3.1954 3.7768 3.9005 3.9066 3.9431 3.9449 4.2877 3.8923 3.9315 1.0214 1.0132 1.0024 1.0141 1.0017 1.0125 0.9921 0.9935 0.9942 0.9936 0.9946 0.9951 1.0079 1.0283 1.0055 1.0068 1.0121 1.0041 2.3272 1.9539 2.8923 3.1954 3.7768 3.9005 3.9066 3.9431 3.9449 4.2877 3.8923 3.9315 1.0214 1.0132 1.0024 1.0141 1.0017 1.0125 0.9921 0.9935 0.9942 0.9936 0.9946 0.9951 1.0079 1.0283 1.0055 1.0068 1.0121 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 1.1880 0.9843 1.7494 0.9715 0.9644 0.9662 0.8630 1.3127 0.9646 0.8894 0.9391 1.0065 0.9956 1.0053 1.0086 0.9956 1.0137 0.9850 0.9858 0.9877 0.9849 0.9880 0.9864 0.9452 0.9893 0.9739 0.9893 0.9894 0.9838 0 9 0 10 1 9 2 5 2 7 2 8 3 6 3 9 3 24 4 5 4 6 4 12 4 13 5 14 5 15 6 16 6 17 7 18 7 19 7 20 8 21 8 22 8 23 10 11 10 25 10 26 11 27 11 28 11 29 -0.011240931 -898.715791144171 12.33786 -11.84420 0.49366 8.59057 -8.63937 -0.04880 -5.67980 6.38469 0.70489 0.86195 2.19089