Orca 4.2.1 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 30 31 32 S O N C C C 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 2 3 4 4 4 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 5 194.18879999999996 AuxInfo=1/0/N:11,10,8,6,4,5,7,13,9,14,12,3,2,1/CRV:8.3,10.3,11.3,13.1/rA:33nSO1NCCCCCCCCC3C3C3HHHHHHHHHHHHHHHHHHH/rB:;s1;;s4;s4;s5;s6;s3s7;s8;s10;s2s3;s12;s1s13;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s11;s13;s14;/rC:-2.5662,.2166,1.0849;-1.8601,.1864,-2.615;-2.1072,-.4201,-.4162;1.057,-.0733,-.0903;.9032,-1.5914,-.1074;2.4919,.395,-.3236;-.445,-2.1344,.3565;3.4416,.13,.8386;-1.6513,-1.7982,-.5103;4.8469,.6613,.5867;5.7917,.4199,1.7538;-2.166,.4687,-1.4573;-2.6337,1.7489,-.9534;-2.8766,1.7386,.3666;.6968,.328,.8636;.4278,.3684,-.8646;1.6656,-2.0401,.5353;1.1103,-1.9608,-1.1171;2.4815,1.4706,-.5253;2.8845,-.0757,-1.2321;-.6297,-1.8374,1.3942;-.3871,-3.2252,.3757;3.4995,-.9428,1.0483;3.0365,.5936,1.7451;-2.4831,-2.4562,-.2512;-1.4258,-1.977,-1.5609;5.254,.1945,-.3155;4.7949,1.7336,.3744;5.4301,.9035,2.6634;5.8944,-.6456,1.9685;6.7896,.8106,1.5499;-2.762,2.6083,-1.5937;-3.2286,2.5533,.9821; 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 Number of auxiliary basis functions 897 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 116 Dim 711 ENuc 1018.3593791962 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVNR off 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 LIBINT 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 5.135e-05 Time for diagonalization 0.181 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.329 sec Total time needed 0.512 sec 16 8 7 6 6 6 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 1 194.18879999999996 AuxInfo=1/0/N:11,10,8,6,4,5,7,13,9,14,12,3,2,1/CRV:8.3,10.3,11.3,13.1/rA:33nSO1NCCCCCCCCC3C3C3HHHHHHHHHHHHHHHHHHH/rB:;s1;;s4;s4;s5;s6;s3s7;s8;s10;s2s3;s12;s1s13;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s11;s13;s14;/rC:-2.5662,.2166,1.0849;-1.8601,.1864,-2.615;-2.1072,-.4201,-.4162;1.057,-.0733,-.0903;.9032,-1.5914,-.1074;2.4919,.395,-.3236;-.445,-2.1344,.3565;3.4416,.13,.8386;-1.6513,-1.7982,-.5103;4.8469,.6613,.5867;5.7917,.4199,1.7538;-2.166,.4687,-1.4573;-2.6337,1.7489,-.9534;-2.8766,1.7386,.3666;.6968,.328,.8636;.4278,.3684,-.8646;1.6656,-2.0401,.5352;1.1103,-1.9608,-1.1171;2.4815,1.4706,-.5253;2.8845,-.0757,-1.2321;-.6297,-1.8374,1.3942;-.3871,-3.2252,.3757;3.4995,-.9428,1.0483;3.0365,.5936,1.7451;-2.4831,-2.4562,-.2512;-1.4258,-1.977,-1.5609;5.254,.1945,-.3155;4.7949,1.7336,.3744;5.4301,.9035,2.6634;5.8944,-.6456,1.9685;6.7896,.8106,1.5499;-2.762,2.6083,-1.5937;-3.2286,2.5533,.9821; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX GRIDX6 NOFINALGRIDX grid4 nofinalgrid scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 8 cpcm smd true smdsolvent "WATER" 194.18879999999996 AuxInfo=1/0/N:11,10,8,6,4,5,7,13,9,14,12,3,2,1/CRV:8.3,10.3,11.3,13.1/rA:33nSO1NCCCCCCCCC3C3C3HHHHHHHHHHHHHHHHHHH/rB:;s1;;s4;s4;s5;s6;s3s7;s8;s10;s2s3;s12;s1s13;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s11;s13;s14;/rC:-2.5662,.2166,1.0849;-1.8601,.1864,-2.615;-2.1072,-.4201,-.4162;1.057,-.0733,-.0903;.9032,-1.5914,-.1074;2.4919,.395,-.3236;-.445,-2.1344,.3565;3.4416,.13,.8386;-1.6513,-1.7982,-.5103;4.8469,.6613,.5867;5.7917,.4199,1.7538;-2.166,.4687,-1.4573;-2.6337,1.7489,-.9534;-2.8766,1.7386,.3666;.6968,.328,.8636;.4278,.3684,-.8646;1.6656,-2.0401,.5353;1.1103,-1.9608,-1.1171;2.4815,1.4706,-.5253;2.8845,-.0757,-1.2321;-.6297,-1.8374,1.3942;-.3871,-3.2252,.3757;3.4995,-.9428,1.0483;3.0365,.5936,1.7451;-2.4831,-2.4562,-.2512;-1.4258,-1.977,-1.5609;5.254,.1945,-.3155;4.7949,1.7336,.3744;5.4301,.9035,2.6634;5.8944,-.6456,1.9685;6.7896,.8106,1.5499;-2.762,2.6083,-1.5937;-3.2286,2.5533,.9821; Epsilon 78.3550 Refrac 1.0000 Rsolv 1.3000 Surface type GEPOL SES 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! ( 0.3s) GEPOL surface points 1261 GEPOL Volume 1721.0208 GEPOL Surface-area 921.7132 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.3s) Overall time for CPCM initialization 0.6s -958.85354845 1018.35937920 -1977.21292765 -3331.28988631 1354.07695867 -0.02599979 -1914.37293691 955.51938846 2.00348937 58.000224627632 58.000224627632 116.000449255265 -75.348617635058 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2422.0998 -522.5598 -394.1659 -282.6603 -281.1077 -280.6290 -279.9498 -279.4664 -279.2165 -279.1402 -279.1402 -279.1027 -279.0692 -278.9520 -220.5182 -164.8944 -164.7199 -164.6085 -31.7668 -29.6439 -26.0706 -25.1157 -24.3922 -23.4838 -23.3583 -22.1410 -20.9912 -19.7551 -19.2310 -18.6970 -18.2026 -17.9759 -16.5601 -16.0769 -15.5181 -15.2970 -15.1120 -14.6941 -14.5127 -14.2508 -14.1621 -13.8539 -13.4686 -13.2723 -12.9098 -12.7223 -12.4062 -12.2827 -11.9845 -11.7241 -11.4496 -11.1685 -11.0071 -10.7401 -10.7256 -10.1548 -9.9826 -8.5424 0.9695 1.7087 3.4040 3.5685 3.7404 3.9275 3.9735 4.1773 4.3417 4.4822 4.6276 4.9004 5.0573 5.3776 5.4512 5.5035 5.7247 5.8788 5.9869 6.0641 6.3078 6.4314 6.5718 6.6502 6.7387 6.9182 7.2101 7.3545 7.5538 7.6595 7.8780 8.1045 8.2407 8.3514 8.6481 8.7316 8.9890 9.2536 9.3894 9.5367 9.5953 9.8568 9.9472 10.0590 10.2606 10.4320 10.5901 10.9446 11.0284 11.0853 11.2856 11.4774 11.7578 11.8160 11.9851 12.0918 12.4173 12.6654 12.8597 12.9353 13.1105 13.3795 13.3908 13.6417 13.8357 13.9071 14.0919 14.2711 14.2742 14.4487 14.5089 14.7072 14.7756 14.9276 14.9818 15.0750 15.2139 15.2944 15.3919 15.5268 15.6246 15.7628 15.8528 15.9758 16.3299 16.3890 16.5098 16.7402 16.8322 17.0779 17.3023 17.4925 17.5508 17.8387 18.1457 18.6037 18.8405 18.9243 18.9923 19.3587 19.7858 19.8804 20.0342 20.2084 20.5806 20.6934 21.0719 21.2881 21.4251 21.5917 22.1858 22.2637 22.5376 22.8263 23.0985 23.1596 23.5321 23.7856 23.9552 24.0599 24.2800 24.5268 24.7952 25.1541 25.4679 25.6010 25.9725 26.2347 26.5953 26.6651 26.9069 26.9813 27.2452 27.8111 27.9173 28.1878 28.3302 28.4414 29.0998 29.3014 29.6226 29.6440 29.6880 29.8426 30.4947 30.5872 30.8017 31.0775 31.3737 31.4097 31.8438 31.9369 32.0496 32.2959 32.3979 32.4587 32.9020 32.9510 33.1989 33.3910 33.4872 33.7173 33.7814 34.1032 34.3005 34.5022 34.7774 34.9620 35.0337 35.1081 35.3274 35.4914 35.6134 35.6802 35.8798 36.1877 36.6796 36.7728 37.1075 37.1892 37.6071 37.8464 38.1238 38.2326 38.3551 38.4196 38.9635 39.1205 39.2699 39.6301 39.9492 40.2463 40.4065 40.6978 40.7725 40.9541 41.2450 41.2677 41.6322 41.8011 42.0609 42.1222 42.4323 42.4753 42.5397 42.7561 42.9073 43.1322 43.1736 43.3560 43.4687 43.7956 43.9045 44.1277 44.1453 44.3795 44.4046 44.8310 44.9279 45.3174 45.4319 45.5766 45.7182 45.9281 46.1600 46.2608 46.9667 47.1301 47.1988 47.3800 47.8558 48.0440 48.1700 48.4962 48.5903 48.7358 48.9322 49.2775 49.4405 49.7214 50.1776 50.5128 50.6245 51.0715 51.3757 51.7894 52.1714 52.7055 52.7747 53.2492 53.7453 54.6468 54.8162 55.3602 55.8139 56.3031 56.7608 56.9723 57.3146 57.8718 58.1022 59.2042 59.7013 60.0924 60.1864 60.4507 60.5602 61.0556 61.1251 61.2504 61.8529 62.0178 62.1642 62.7678 62.8044 63.2516 63.4338 64.2044 65.1052 65.7507 65.9310 66.5225 66.9684 67.5211 67.9702 68.1107 69.0974 69.3883 69.9813 70.1465 70.6535 70.9002 71.1401 71.4784 71.7160 72.0106 72.1003 72.3796 72.5312 72.7560 72.9577 72.9984 73.6804 73.9415 74.0306 74.5194 74.5701 74.9032 75.7065 75.9649 76.0419 76.2012 76.5083 76.6562 77.4923 77.6648 77.7045 78.4703 78.6343 79.2347 79.2931 79.4835 79.5433 79.8930 80.3355 80.5954 80.8443 81.0398 81.2034 81.3158 81.6208 81.8600 81.9328 82.5017 82.6108 82.9208 83.0815 83.2827 83.4514 83.9769 84.1912 84.6791 84.8363 85.1193 85.1670 85.4078 85.6203 86.0015 86.2488 86.5711 86.7988 87.0202 87.1923 87.3251 87.5208 87.5581 87.6873 87.9138 87.9990 88.1663 88.3777 88.7648 88.8407 89.1902 89.2369 89.3822 89.4649 89.5241 89.8075 90.1347 90.2082 90.4087 90.4904 90.6434 90.7452 90.7758 91.2677 91.2922 91.4082 91.6432 91.8137 91.9613 92.1625 92.3080 92.5110 92.9061 93.2033 93.2636 93.7318 94.0451 94.3397 94.4364 94.7588 95.0023 95.1502 95.3732 95.8841 96.0669 96.3106 96.6109 97.1439 97.5846 97.6226 97.8748 98.2495 98.5137 98.7761 99.0401 99.5555 99.7727 99.9714 100.2860 100.4434 100.8005 101.2597 101.3333 101.8603 101.9196 102.1734 102.2768 102.6503 102.9580 103.0035 103.1517 103.5594 103.7543 103.8124 104.1453 104.5912 104.6360 104.8113 104.9922 105.5483 106.1065 106.3410 106.6146 106.6987 107.2326 107.4214 107.6012 107.7768 108.1918 108.3076 108.4882 108.6298 108.9009 109.0098 109.3139 109.3840 109.6985 109.8625 110.0019 110.4094 110.6121 110.7407 111.0115 111.2197 111.3068 111.7771 112.2909 112.4555 112.5814 112.9383 113.1511 113.3141 113.5117 113.7952 113.9594 114.1178 114.2672 114.3239 114.5701 114.6965 114.9693 115.1228 115.3304 115.5193 115.6733 115.8864 116.2037 116.7350 116.7848 117.1424 117.3750 117.7031 117.8621 118.1353 118.2596 118.6269 118.8193 118.8739 119.1170 119.4058 119.5272 119.8294 120.1620 120.2742 120.8214 120.9733 120.9903 121.6674 121.7910 122.1006 122.2665 122.4548 122.8330 122.9815 123.2172 123.2872 123.6656 123.9221 124.2516 124.4574 124.6773 125.1398 125.9070 126.3064 126.6436 127.0091 127.2261 127.9614 128.4577 128.6163 129.4881 129.6592 129.7574 130.0241 130.2616 130.3162 130.7292 130.9687 131.1444 131.6750 131.8731 132.3805 132.9416 133.5634 133.6848 133.9592 134.7198 134.9173 135.2818 135.5909 136.0683 136.2187 136.4067 136.4773 137.0875 137.3761 137.6693 138.0699 138.2081 138.6453 138.7460 138.9850 139.4218 139.5096 139.9307 140.3152 141.0468 141.2977 141.5976 141.9555 142.1408 142.2320 142.5397 143.2077 144.2394 144.2646 144.6670 145.5639 145.7084 145.9696 146.2813 146.5744 147.0079 147.4102 147.5190 147.8987 148.5982 148.9196 149.2212 149.9176 150.2490 150.4435 151.1081 151.3675 152.1931 152.2811 152.6934 153.0770 153.2391 153.4530 153.5307 153.8243 153.9030 154.1893 154.4262 154.5199 154.9884 155.0555 155.1838 155.8332 155.9280 156.6349 156.6737 157.0883 157.4420 158.1021 158.2600 158.6856 158.8493 159.0281 159.5015 159.7967 160.5370 160.7570 161.4613 161.7293 162.1097 163.0605 165.9250 167.7615 170.6264 176.9186 176.9877 182.5420 186.9010 187.3732 188.8833 189.0413 190.2243 193.6788 195.5097 197.8313 207.3051 245.1796 260.5897 260.7199 553.4251 618.4449 636.6008 637.2951 637.9228 640.0599 640.4098 641.1040 641.9254 643.5659 643.9500 646.1509 896.4607 1200.2470 -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 32 S O N C C C 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 0.116720 -0.587700 -0.049296 -0.133352 -0.106631 -0.134622 -0.148704 -0.104193 -0.094447 -0.087431 -0.280215 0.306783 -0.268358 -0.057315 0.057299 0.074701 0.080834 0.065772 0.074241 0.062037 0.073257 0.092636 0.056871 0.055708 0.137943 0.100404 0.055223 0.055328 0.077685 0.078211 0.090633 0.161463 0.178513 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 S O N C C C 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 15.8833 8.5877 7.0493 6.1334 6.1066 6.1346 6.1487 6.1042 6.0944 6.0874 6.2802 5.6932 6.2684 6.0573 0.9427 0.9253 0.9192 0.9342 0.9258 0.9380 0.9267 0.9074 0.9431 0.9443 0.8621 0.8996 0.9448 0.9447 0.9223 0.9218 0.9094 0.8385 0.8215 16.0000 8.0000 7.0000 6.0000 6.0000 6.0000 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 0.1167 -0.5877 -0.0493 -0.1334 -0.1066 -0.1346 -0.1487 -0.1042 -0.0944 -0.0874 -0.2802 0.3068 -0.2684 -0.0573 0.0573 0.0747 0.0808 0.0658 0.0742 0.0620 0.0733 0.0926 0.0569 0.0557 0.1379 0.1004 0.0552 0.0553 0.0777 0.0782 0.0906 0.1615 0.1785 2.5635 1.9105 3.0796 3.9085 3.8355 3.9379 3.9034 3.8568 3.8255 3.8806 3.9456 4.1910 3.9205 3.9815 1.0159 1.0167 1.0091 1.0106 1.0082 1.0090 1.0095 1.0130 1.0100 1.0085 0.9992 1.0283 1.0063 1.0073 1.0007 1.0007 1.0041 0.9988 0.9830 2.5635 1.9105 3.0796 3.9085 3.8355 3.9379 3.9034 3.8568 3.8255 3.8806 3.9456 4.1910 3.9205 3.9815 1.0159 1.0167 1.0091 1.0106 1.0082 1.0090 1.0095 1.0130 1.0100 1.0085 0.9992 1.0283 1.0063 1.0073 1.0007 1.0007 1.0041 0.9988 0.9830 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 1.0057 1.2509 1.7664 0.8683 1.1827 0.9266 0.9627 0.9957 0.9913 0.9216 1.0049 0.9991 0.9327 1.0083 1.0105 0.9296 1.0197 1.0024 0.9414 1.0007 1.0042 0.9955 0.9880 0.9412 1.0029 1.0051 0.9957 0.9954 1.0002 1.1320 1.7230 0.9693 0.9358 0 2 0 13 1 11 2 8 2 11 3 4 3 5 3 14 3 15 4 6 4 16 4 17 5 7 5 18 5 19 6 8 6 20 6 21 7 9 7 22 7 23 8 24 8 25 9 10 9 26 9 27 10 28 10 29 10 30 11 12 12 13 12 31 13 32 -0.013664406 -958.867212855317 31.29359 -31.60814 -0.31455 -3.38004 3.42136 0.04132 5.70072 -3.44220 2.25852 2.28069 5.79706