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 27 28 29 30 31 32 33 34 35 S S S P O O 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 H H 1 1 1 2 3 3 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 5 5 267.2638609999999 AuxInfo=1/0/N:14,15,8,9,10,12,13,11,7,5,6,4,3,1,2/E:(1,2)(3,4,5)(6,7)(10,11)/CRV:12.4,13.1/rA:36nSSS1P4OOCCCCCCCCCHHHHHHHHHHHHHHHHHHHHH/rB:;;s2s3;s4;s4;s1;s7;s7;s7;s1s2;s5;s6;s12;s13;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s15;s15;s15;/rC:1.7448,-1.081,-.9421;.6799,1.4303,.5167;-1.6631,.463,-1.7683;-1.1992,.6493,.0951;-1.2481,-.6712,.9886;-2.125,1.6289,.965;3.1034,-1.5613,.2084;2.9969,-3.0823,.2773;4.4501,-1.1531,-.3725;2.9109,-.9642,1.5945;1.6703,.7078,-.8451;-2.3074,-1.6417,.8303;-2.5353,2.9122,.4513;-1.8061,-2.864,.105;-3.9953,2.8843,.0779;3.0819,-3.5452,-.7079;3.8052,-3.4779,.8959;2.0525,-3.4002,.722;4.6166,-1.6008,-1.353;5.2571,-1.4811,.288;4.5402,-.0701,-.4762;3.0477,.1174,1.6013;1.9223,-1.1839,1.9975;3.6552,-1.3856,2.2752;2.6622,1.1501,-.7422;1.255,1.0628,-1.7875;-2.6336,-1.8885,1.8404;-3.1606,-1.2035,.3079;-2.3431,3.6321,1.2468;-1.9225,3.2002,-.4065;-2.6012,-3.6101,.0705;-1.5177,-2.6305,-.9192;-.9512,-3.3093,.6145;-4.1839,2.1835,-.7354;-4.6195,2.6094,.9286;-4.3023,3.8765,-.255; 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 974 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 154 Dim 803 ENuc 1724.6224428407 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 1.597e-04 Time for diagonalization 0.252 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.143 sec Total time needed 0.398 sec 16 16 16 15 8 8 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 1 1 267.2638609999999 AuxInfo=1/0/N:14,15,8,9,10,12,13,11,7,5,6,4,3,1,2/E:(1,2)(3,4,5)(6,7)(10,11)/CRV:12.4,13.1/rA:36nSSS1P4OOCCCCCCCCCHHHHHHHHHHHHHHHHHHHHH/rB:;;s2s3;s4;s4;s1;s7;s7;s7;s1s2;s5;s6;s12;s13;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s15;s15;s15;/rC:1.7448,-1.081,-.9421;.6799,1.4303,.5167;-1.6631,.463,-1.7683;-1.1992,.6493,.0951;-1.2481,-.6712,.9886;-2.125,1.6289,.965;3.1034,-1.5613,.2084;2.9969,-3.0823,.2773;4.4501,-1.1531,-.3725;2.9109,-.9642,1.5945;1.6703,.7078,-.8451;-2.3074,-1.6417,.8303;-2.5353,2.9122,.4513;-1.8061,-2.864,.105;-3.9953,2.8843,.0779;3.0819,-3.5452,-.7079;3.8052,-3.4779,.8959;2.0525,-3.4002,.722;4.6166,-1.6008,-1.353;5.2571,-1.4811,.288;4.5402,-.0701,-.4762;3.0477,.1174,1.6013;1.9223,-1.1839,1.9975;3.6552,-1.3856,2.2752;2.6622,1.1501,-.7422;1.255,1.0628,-1.7875;-2.6336,-1.8885,1.8404;-3.1606,-1.2035,.3079;-2.3431,3.6321,1.2468;-1.9225,3.2002,-.4065;-2.6012,-3.6101,.0705;-1.5177,-2.6305,-.9192;-.9512,-3.3093,.6145;-4.1839,2.1835,-.7354;-4.6195,2.6094,.9286;-4.3023,3.8765,-.255; 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 "1-OCTANOL" 267.2638609999999 AuxInfo=1/0/N:14,15,8,9,10,12,13,11,7,5,6,4,3,1,2/E:(1,2)(3,4,5)(6,7)(10,11)/CRV:12.4,13.1/rA:36nSSS1P4OOCCCCCCCCCHHHHHHHHHHHHHHHHHHHHH/rB:;;s2s3;s4;s4;s1;s7;s7;s7;s1s2;s5;s6;s12;s13;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s15;s15;s15;/rC:1.7448,-1.081,-.9421;.6799,1.4303,.5167;-1.6631,.463,-1.7683;-1.1992,.6493,.0951;-1.2481,-.6712,.9886;-2.125,1.6289,.965;3.1034,-1.5613,.2084;2.9969,-3.0823,.2773;4.4501,-1.1531,-.3725;2.9109,-.9642,1.5945;1.6703,.7078,-.8451;-2.3074,-1.6417,.8303;-2.5353,2.9122,.4513;-1.8061,-2.864,.105;-3.9953,2.8843,.0779;3.0819,-3.5452,-.7079;3.8052,-3.4779,.8959;2.0525,-3.4002,.722;4.6166,-1.6008,-1.353;5.2571,-1.4811,.288;4.5402,-.0701,-.4762;3.0477,.1174,1.6013;1.9223,-1.1839,1.9975;3.6552,-1.3856,2.2752;2.6622,1.1501,-.7422;1.255,1.0628,-1.7875;-2.6336,-1.8885,1.8404;-3.1606,-1.2035,.3079;-2.3431,3.6321,1.2468;-1.9225,3.2002,-.4065;-2.6012,-3.6101,.0705;-1.5177,-2.6305,-.9192;-.9512,-3.3093,.6145;-4.1839,2.1835,-.7354;-4.6195,2.6094,.9286;-4.3023,3.8765,-.255; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM S P O C H 2.4900 2.1200 1.6280 1.8500 1.2000 Solvent: 1-OCTANOL Soln 1.4295 Soln25 1.4279 Sola 0.3700 Solb 0.4800 Solg 39.0100 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 2035 GEPOL Volume 2204.6488 GEPOL Surface-area 1128.4122 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.3s) Overall time for CPCM initialization 0.4s -2042.19866111 1724.62244284 -3766.82110396 -6245.11590095 2478.29479700 -0.01708371 -4079.16701510 2036.96835399 2.00256769 76.999934538555 76.999934538555 153.999869077110 -124.857423563552 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 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 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2420.7054 -2420.1140 -2419.2964 -2103.0147 -524.3235 -524.2927 -281.2408 -281.1533 -281.1435 -280.7260 -279.2386 -279.2156 -279.1772 -279.1647 -279.1551 -219.2548 -218.6387 -217.8822 -184.2878 -163.5617 -163.4751 -163.3418 -162.9690 -162.8597 -162.7092 -162.1899 -162.0332 -162.0326 -134.0271 -134.0110 -133.9746 -32.5692 -31.4481 -26.1194 -25.1663 -24.2436 -23.6867 -23.0260 -22.2432 -21.8074 -21.7486 -20.6880 -20.1274 -19.7930 -18.0583 -17.3622 -17.0375 -16.1198 -15.9760 -15.6442 -15.1552 -14.9457 -14.7574 -14.6455 -14.3335 -14.0881 -13.7371 -13.5256 -13.3647 -13.1076 -13.0094 -12.8474 -12.7476 -12.4255 -12.3924 -11.8867 -11.7094 -11.6955 -11.6093 -11.5470 -11.3259 -10.8225 -10.4075 -9.7270 -9.1605 -9.0116 -8.5210 1.7013 2.7393 3.0234 3.1913 3.2101 3.4034 3.7505 3.8424 4.0316 4.2884 4.3989 4.6168 4.6625 4.8760 4.9113 5.1044 5.2167 5.3161 5.3727 5.4347 5.5831 5.8182 5.8861 5.9870 6.0708 6.1676 6.3214 6.4972 6.5418 6.5973 6.6569 6.8795 6.9356 7.3066 7.3680 7.5940 7.7890 7.8906 7.9627 8.2579 8.4740 8.5352 8.7281 8.8359 8.9301 9.1353 9.2105 9.2781 9.6527 9.6733 9.9273 10.0171 10.1286 10.2579 10.4923 10.6570 10.8330 11.1727 11.2291 11.2945 11.4511 11.9738 12.1539 12.1900 12.4664 12.6509 12.7591 12.9077 13.1344 13.2450 13.3158 13.4838 13.6246 13.6400 13.7884 13.8798 13.9584 14.1357 14.2259 14.4517 14.5438 14.6762 14.8046 14.8363 15.0174 15.0670 15.1092 15.2125 15.2712 15.3409 15.4559 15.5717 15.6539 15.7146 15.9199 15.9928 16.1126 16.3609 16.4802 16.6457 16.8469 17.0223 17.2571 17.2866 17.5209 17.7631 17.8144 17.9345 18.0697 18.3472 18.4934 18.6148 18.9490 19.0625 19.3822 19.7695 20.1394 20.4261 20.5778 20.7180 20.8734 21.1603 21.3687 21.4895 21.7631 22.1044 22.2256 22.4262 22.7782 22.9722 22.9885 23.2357 23.4389 23.6068 23.9618 24.2248 24.3616 24.4135 24.8415 25.0516 25.1680 25.2343 25.5229 25.9946 26.0740 26.0802 26.6107 26.7456 26.8625 27.1759 27.2555 27.2675 27.5661 27.6430 27.8666 28.0672 28.2397 28.3029 28.3846 28.6784 28.8692 29.0571 29.3315 29.4970 29.7855 30.0281 30.1017 30.2514 30.4442 30.7018 30.7530 30.9191 31.4209 31.6698 31.7775 31.9235 32.0621 32.5369 32.6337 32.8874 32.9241 32.9857 33.0726 33.4023 33.5120 33.6684 33.7785 34.1659 34.4335 34.5446 34.7271 34.8569 34.9390 35.0503 35.3410 35.4813 35.7678 35.8310 36.1359 36.2855 36.4417 36.7685 37.0983 37.2537 37.5474 37.7994 38.1433 38.3642 38.4747 38.8514 38.9343 39.1214 39.4385 39.7986 40.0162 40.2306 40.3362 40.7017 40.9860 41.0514 41.2090 41.3061 41.4433 41.6562 41.7369 41.7890 41.9502 42.0697 42.2607 42.4066 42.4939 42.6282 42.7748 42.8593 42.9380 43.1899 43.3988 43.5391 43.5987 43.7775 44.0294 44.1822 44.2974 44.3454 44.3926 44.7085 44.8141 45.0593 45.0910 45.4130 45.4652 45.6035 45.7913 45.9921 46.0190 46.2024 46.3052 46.3941 46.5137 46.7111 46.9743 47.0784 47.3397 47.4739 47.5705 47.6764 48.1017 48.4815 48.5836 48.6950 49.0932 49.1262 49.5109 49.7204 50.0704 50.3646 50.8467 50.8705 51.1595 51.3587 51.5112 51.8560 52.1990 52.4162 52.6524 52.7503 53.0479 53.2693 53.6355 54.2068 54.3289 54.7223 55.0359 55.2484 55.5847 55.7769 55.8838 56.5609 56.6677 57.0780 57.4026 57.7393 58.1076 58.2007 58.5128 58.8407 59.0059 59.0560 59.3548 59.5250 59.7437 59.8725 60.1496 60.5277 60.9450 61.2644 61.3506 61.9721 62.1031 62.9089 63.0557 63.1865 63.5676 64.1554 64.6889 64.7992 65.1312 65.3732 65.6427 66.4622 66.7126 66.8953 67.6337 67.8256 67.9172 68.4189 68.5623 69.6978 70.1412 70.1654 70.6532 70.8176 71.0524 71.2034 71.3639 71.6892 72.0040 72.0621 72.2331 72.4770 72.9340 73.1461 73.2421 73.4813 73.6936 74.1861 74.3045 74.5448 75.3712 75.5210 75.9612 76.2850 76.4975 77.0718 77.2306 77.4018 77.5791 77.6844 78.0498 78.3483 78.8271 78.9800 79.1385 79.3700 79.4732 79.7621 80.0618 80.1445 80.4389 80.7618 80.8566 81.2154 81.3075 81.3737 81.5520 81.6859 82.3150 82.7035 82.8759 83.3830 83.5597 83.7932 84.0996 84.1980 84.3435 84.7945 84.8171 85.1439 85.1883 85.5643 85.8629 85.8875 86.1019 86.1417 86.1932 86.3909 86.4731 86.7905 87.0371 87.0720 87.2224 87.5620 87.6263 88.3138 88.3988 88.5446 88.7456 88.9528 89.1371 89.2552 89.6664 89.8794 89.9827 90.1126 90.2948 90.4722 90.6506 91.2209 91.8133 92.1202 92.4334 92.5346 92.7245 93.0372 93.1349 93.2667 93.5833 93.7716 93.8935 94.0038 94.1393 94.4774 94.6617 94.9252 95.0511 95.6397 95.9797 96.7138 97.1801 97.2085 97.4440 97.8070 97.8240 97.9042 98.3187 98.3979 98.8576 99.0535 99.0939 99.6136 99.9680 100.2372 100.3396 100.5546 100.6852 100.7924 100.9806 101.0945 101.3706 101.4936 101.6147 101.8332 102.0495 102.4173 102.6272 102.7190 103.3686 103.5310 103.8576 104.2679 104.5070 104.7946 105.0136 105.2460 105.3167 105.6362 105.7160 105.8939 106.0840 106.2464 107.0509 107.1912 107.5318 107.6615 107.8502 108.5124 108.6871 108.8173 109.0625 109.1248 109.8352 109.9427 110.2404 110.5854 110.7474 110.8602 110.9387 111.2178 111.5131 111.6860 111.8274 112.0416 112.4891 112.8106 112.9266 113.0279 113.5530 113.7952 113.9530 114.0355 114.2066 114.4066 114.4509 114.5910 114.7399 114.9624 115.0347 115.1762 115.4147 115.5062 115.9908 116.0633 116.3555 116.5363 117.0525 117.2010 117.4471 117.7331 117.8394 118.0872 118.2490 118.3946 118.5425 118.9639 119.1704 119.6370 119.7674 120.1587 121.3012 121.3465 121.4639 122.2405 122.3761 122.6106 122.6764 122.8171 122.9737 123.0990 123.8006 124.4351 126.2077 126.4487 126.5754 127.1607 127.3311 127.9395 128.1514 128.3515 128.6312 128.7014 129.2696 129.3466 129.3779 129.5275 129.6749 129.8468 130.2658 131.4019 131.7544 132.1775 132.5146 133.0572 133.1919 133.3569 133.4555 133.5714 133.7121 133.8784 134.3837 134.4805 134.5500 134.7306 134.9192 135.0340 135.1906 136.4010 136.6095 138.1320 138.4116 138.7005 141.2389 141.4904 141.6866 142.4324 142.8630 143.0476 143.3221 143.4783 143.5410 143.9837 144.4334 144.7412 144.9459 145.1286 145.2457 145.4461 145.6685 146.0670 146.9712 147.2431 147.3534 147.5891 147.7150 148.2198 148.2355 148.3763 148.4586 148.5481 148.8487 148.9518 149.1845 149.2468 149.4832 149.9648 150.0450 150.3968 150.5531 150.5779 150.6822 150.8376 151.8670 152.3547 153.4594 153.5614 153.7041 154.0989 154.4259 154.6158 154.9479 155.5270 155.8278 156.1242 156.6539 156.6894 156.8559 157.6228 157.9520 158.0582 158.1698 158.4392 158.5328 159.5925 159.8509 160.1516 160.9456 162.4182 162.9877 166.5579 167.2863 168.2623 169.4568 170.7584 173.5844 179.4362 181.7597 182.1713 185.5892 186.5539 186.9755 187.3890 187.6778 188.5014 189.1475 189.6460 189.8060 190.3593 190.8583 191.0438 191.4437 191.6574 192.8408 193.4462 194.2200 195.1718 196.3192 197.4070 199.0036 200.3570 201.8850 211.2576 219.2541 230.5236 247.2626 248.2237 248.6618 250.8968 255.6712 257.7995 259.0171 261.6335 264.5174 432.4183 521.5310 530.8837 544.7935 620.2799 629.3221 636.6575 636.7538 645.8132 646.3925 646.4396 646.7051 650.8617 1202.3883 1203.6502 -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 33 34 35 S S S P O O 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 H H -0.167373 -0.157704 -0.462261 0.663588 -0.338152 -0.363728 0.192259 -0.293585 -0.320122 -0.321310 -0.140263 0.051366 0.042080 -0.244383 -0.237409 0.104601 0.098103 0.104674 0.096617 0.098328 0.098898 0.088769 0.096353 0.104713 0.151171 0.158782 0.104885 0.085438 0.107837 0.081229 0.099948 0.077238 0.082393 0.075625 0.088915 0.092481 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 S S S P O O 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 H H 16.1674 16.1577 16.4623 14.3364 8.3382 8.3637 5.8077 6.2936 6.3201 6.3213 6.1403 5.9486 5.9579 6.2444 6.2374 0.8954 0.9019 0.8953 0.9034 0.9017 0.9011 0.9112 0.9036 0.8953 0.8488 0.8412 0.8951 0.9146 0.8922 0.9188 0.9001 0.9228 0.9176 0.9244 0.9111 0.9075 16.0000 16.0000 16.0000 15.0000 8.0000 8.0000 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 1.0000 1.0000 -0.1674 -0.1577 -0.4623 0.6636 -0.3382 -0.3637 0.1923 -0.2936 -0.3201 -0.3213 -0.1403 0.0514 0.0421 -0.2444 -0.2374 0.1046 0.0981 0.1047 0.0966 0.0983 0.0989 0.0888 0.0964 0.1047 0.1512 0.1588 0.1049 0.0854 0.1078 0.0812 0.0999 0.0772 0.0824 0.0756 0.0889 0.0925 2.2450 2.2965 1.9676 5.4071 2.0924 2.0834 3.8618 3.8794 3.9388 3.9248 3.9893 3.8505 3.8566 3.9355 3.9413 1.0088 1.0047 1.0080 1.0139 1.0032 1.0040 1.0013 1.0191 1.0072 1.0051 1.0185 0.9966 1.0110 0.9943 1.0148 1.0114 1.0150 1.0040 1.0189 1.0035 1.0086 2.2450 2.2965 1.9676 5.4071 2.0924 2.0834 3.8618 3.8794 3.9388 3.9248 3.9893 3.8505 3.8566 3.9355 3.9413 1.0088 1.0047 1.0080 1.0139 1.0032 1.0040 1.0013 1.0191 1.0072 1.0051 1.0185 0.9966 1.0110 0.9943 1.0148 1.0114 1.0150 1.0040 1.0189 1.0035 1.0086 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.9695 1.0741 1.1430 0.9659 1.7389 1.1960 1.1620 0.8461 0.8402 0.9368 0.9581 0.9457 0.9880 0.9809 0.9924 0.9915 0.9825 0.9832 0.9920 0.9953 0.9790 0.9546 0.9571 0.9697 0.9794 0.9867 0.9779 0.9767 0.9810 0.9880 0.9835 0.9903 0.9818 0.9897 0.9862 0 6 0 10 1 3 1 10 2 3 3 4 3 5 4 11 5 12 6 7 6 8 6 9 7 15 7 16 7 17 8 18 8 19 8 20 9 21 9 22 9 23 10 24 10 25 11 13 11 26 11 27 12 14 12 28 12 29 13 30 13 31 13 32 14 33 14 34 14 35 -0.017870787 -2042.216531901294 8.51636 -7.94877 0.56759 -10.42714 10.57723 0.15009 5.25622 -4.30410 0.95212 1.11858 2.84321