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:-2.2621,.2079,1.1807;-1.1246,.6898,-2.3723;-1.8315,-.2245,-.3985;1.9273,-2.1857,.5564;.4013,-2.1579,.5843;2.5836,-.9122,.0209;-.2321,-2.0778,-.8013;2.2059,.3516,.786;-1.6831,-1.6183,-.7968;2.9095,1.6137,.2946;4.4238,1.5893,.4489;-1.4791,.8281,-1.203;-1.6102,2.0614,-.4473;-2.0132,1.8621,.8183;2.2644,-3.038,-.0417;2.2923,-2.3673,1.5717;.0776,-1.3176,1.2034;.0315,-3.0522,1.093;2.3429,-.775,-1.0383;3.6666,-1.0552,.058;-.1958,-3.061,-1.2775;.3357,-1.4103,-1.4524;2.4185,.2091,1.8515;1.1265,.518,.7137;-2.2882,-2.2311,-.1271;-2.1215,-1.7252,-1.7891;2.6513,1.7856,-.7549;2.5113,2.4701,.8453;4.8894,.8189,-.1668;4.8642,2.5432,.1554;4.7131,1.4008,1.4851;-1.3987,3.0278,-.8789;-2.1912,2.6047,1.5821; 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 1057.0836823960 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 5.600e-05 Time for diagonalization 0.236 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.204 sec Total time needed 0.442 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:-2.2621,.2079,1.1807;-1.1246,.6898,-2.3723;-1.8315,-.2245,-.3985;1.9273,-2.1857,.5564;.4013,-2.1579,.5843;2.5836,-.9122,.0209;-.2321,-2.0778,-.8013;2.2059,.3516,.786;-1.6831,-1.6183,-.7968;2.9095,1.6137,.2946;4.4238,1.5893,.4489;-1.4791,.8281,-1.203;-1.6102,2.0614,-.4473;-2.0132,1.8621,.8183;2.2644,-3.038,-.0417;2.2923,-2.3673,1.5717;.0776,-1.3176,1.2034;.0315,-3.0522,1.093;2.3429,-.775,-1.0383;3.6666,-1.0552,.058;-.1958,-3.061,-1.2775;.3357,-1.4103,-1.4524;2.4185,.2091,1.8515;1.1265,.518,.7137;-2.2882,-2.2311,-.1271;-2.1215,-1.7252,-1.7891;2.6513,1.7856,-.7549;2.5113,2.4701,.8453;4.8894,.8189,-.1668;4.8642,2.5432,.1554;4.7131,1.4008,1.4851;-1.3987,3.0278,-.8789;-2.1912,2.6047,1.5821; 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:-2.2621,.2079,1.1807;-1.1246,.6898,-2.3723;-1.8315,-.2245,-.3985;1.9273,-2.1857,.5564;.4013,-2.1579,.5843;2.5836,-.9122,.0209;-.2321,-2.0778,-.8013;2.2059,.3516,.786;-1.6831,-1.6183,-.7968;2.9095,1.6137,.2946;4.4238,1.5893,.4489;-1.4791,.8281,-1.203;-1.6102,2.0614,-.4473;-2.0132,1.8621,.8183;2.2644,-3.038,-.0417;2.2923,-2.3673,1.5717;.0776,-1.3176,1.2034;.0315,-3.0522,1.093;2.3429,-.775,-1.0383;3.6666,-1.0552,.058;-.1958,-3.061,-1.2775;.3357,-1.4103,-1.4524;2.4185,.2091,1.8515;1.1265,.518,.7137;-2.2882,-2.2311,-.1271;-2.1215,-1.7252,-1.7891;2.6513,1.7856,-.7549;2.5113,2.4701,.8453;4.8894,.8189,-.1668;4.8642,2.5432,.1554;4.7131,1.4008,1.4851;-1.3987,3.0278,-.8789;-2.1912,2.6047,1.5821; 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! ( 0.7s) GEPOL surface points 1505 GEPOL Volume 1762.6625 GEPOL Surface-area 889.6206 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.4s) Overall time for CPCM initialization 1.1s -958.85293558 1057.08368240 -2015.93661797 -3408.83598802 1392.89937005 -0.02558076 -1914.36929469 955.51635912 2.00349191 57.999902325846 57.999902325846 115.999804651693 -75.350436224335 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 -2422.1550 -522.5599 -394.1850 -282.6359 -281.1142 -280.6918 -279.9630 -279.3556 -279.1919 -279.1643 -279.1612 -279.1246 -279.0934 -278.9438 -220.5684 -164.9452 -164.7704 -164.6580 -31.7859 -29.6425 -26.0998 -25.1643 -24.3502 -23.4398 -23.3254 -22.0858 -20.9776 -19.9555 -19.5010 -18.7659 -18.0489 -17.5671 -16.6007 -16.0076 -15.6564 -15.3114 -14.8974 -14.8706 -14.6207 -14.5002 -14.0227 -13.8714 -13.5798 -13.1217 -12.8363 -12.7320 -12.5394 -12.2204 -12.0759 -11.7932 -11.4145 -11.2417 -10.8907 -10.7722 -10.5848 -10.1666 -10.0699 -8.5346 0.9900 1.5947 3.2077 3.6531 3.7063 3.8324 3.9184 4.0339 4.3961 4.5406 4.8302 4.8747 5.0783 5.1981 5.4478 5.5267 5.6033 5.7875 5.9688 6.1332 6.3896 6.5103 6.6351 6.7931 6.8944 6.9965 7.1363 7.5869 7.6645 7.7679 7.8745 8.0554 8.3101 8.3465 8.4648 8.6765 8.7974 8.9909 9.1049 9.4143 9.4277 9.7494 9.8409 10.2407 10.2742 10.5948 10.6911 10.9211 11.0611 11.2637 11.5035 11.7673 11.9662 12.1371 12.2345 12.4184 12.7172 12.8804 13.0279 13.1407 13.2966 13.5357 13.6282 13.7852 13.8290 13.8471 14.0934 14.2028 14.2364 14.2828 14.5642 14.6034 14.7423 14.7542 14.9472 14.9809 15.2796 15.3560 15.3834 15.4511 15.6576 15.7703 15.8535 16.1053 16.1765 16.3177 16.4402 16.4866 16.8729 17.1523 17.3072 17.4862 17.8277 18.2077 18.3123 18.5781 18.7894 19.0508 19.2025 19.4396 19.6359 19.8188 20.0389 20.1420 20.2738 21.0215 21.1225 21.4529 21.5205 22.0088 22.3452 22.5840 22.9126 23.3311 23.4024 23.7462 23.8856 24.0808 24.2070 24.4646 24.7024 25.1493 25.3982 25.4495 25.5699 25.9751 26.2106 26.5133 26.7104 26.7542 26.8886 27.1182 27.6094 27.7740 27.8812 28.1922 28.4690 28.8279 29.1230 29.1761 29.5631 29.8189 29.9319 30.2091 30.4467 30.5770 30.8135 31.0051 31.3710 31.5524 31.8373 31.9588 32.0168 32.2426 32.5666 32.6952 32.9168 32.9869 33.3621 33.4923 33.6207 33.7508 33.8073 34.0681 34.3894 34.4539 34.5605 34.8769 35.0737 35.1530 35.3326 35.5878 36.0953 36.3263 36.3559 36.6690 36.7470 36.9059 37.0649 37.4830 37.6717 37.9512 38.2959 38.3612 38.4834 38.7522 39.0719 39.3141 39.4702 39.8375 39.9593 40.3352 40.5190 40.6449 40.8671 41.0761 41.3874 41.7853 42.0171 42.0383 42.1493 42.2475 42.4470 42.5015 42.6961 42.8752 43.0502 43.2526 43.4856 43.6011 43.7622 43.8393 43.9563 44.2767 44.5940 44.6963 44.8320 45.1537 45.2153 45.7082 45.8761 45.9034 46.0539 46.4862 46.6210 47.0439 47.1022 47.4036 47.4896 47.7003 48.0895 48.4069 48.5859 48.7821 49.2114 49.3673 49.6355 49.7791 50.3100 50.4840 50.6028 50.9459 51.3995 51.4235 52.1464 52.4120 52.6748 52.9721 53.2364 53.7466 54.0821 54.6398 55.0963 55.4737 55.9260 56.1961 56.4794 57.0255 57.6604 58.3123 58.5673 58.8215 59.3940 59.7238 60.3360 60.6512 61.0042 61.0948 61.1832 61.2512 61.6731 61.9981 62.5365 62.8830 63.2304 63.5630 64.3447 64.5544 65.2577 65.4408 66.1449 66.5588 67.0053 67.6065 67.8749 68.0047 68.7914 69.2601 70.0913 70.3626 70.7854 70.9865 71.3700 71.5426 71.9538 72.1504 72.2638 72.6404 72.8990 73.1463 73.3373 73.5858 73.7992 73.9429 74.2008 74.4509 74.8090 74.9719 75.3079 76.0327 76.2484 76.4504 76.7333 77.0846 77.5487 77.6482 77.9786 78.3854 78.7507 79.2890 79.3746 79.5593 79.7689 80.2012 80.4027 80.4239 80.9712 81.2914 81.3628 81.6942 81.8900 82.2197 82.3315 82.4402 82.6131 82.9252 83.2377 83.5625 84.0649 84.2443 84.4512 84.6306 84.9853 85.1797 85.2449 85.5021 85.8981 86.1959 86.4393 86.5752 86.7861 86.8639 87.0406 87.3771 87.6210 87.6542 87.9656 88.1472 88.2102 88.4401 88.5024 88.7115 88.7591 89.0462 89.1710 89.4457 89.5358 89.7313 89.9719 90.0806 90.2054 90.3757 90.5366 90.6391 90.9377 91.2819 91.4967 91.6359 91.7823 91.8005 92.1212 92.4336 92.8056 92.8962 93.2727 93.3736 93.5120 93.7565 93.9895 94.2221 94.5086 94.6852 94.8934 95.3066 95.4315 95.8135 96.2115 96.2433 96.6743 97.0334 97.3014 97.5430 97.6104 98.1764 98.3759 98.5025 98.6102 99.3149 99.5685 99.6826 100.1388 100.7223 100.9369 101.1668 101.2441 101.6346 101.7461 102.0482 102.2758 102.4219 102.5073 103.0852 103.4018 103.5273 103.7525 103.9905 104.1664 104.3366 104.3870 104.6936 104.8866 105.2886 105.3316 105.7229 105.8648 106.0275 106.4338 106.9118 107.3399 107.5731 108.0055 108.0795 108.3968 108.5923 108.6801 108.8733 109.1444 109.3306 109.5052 109.7527 109.9722 110.0915 110.2777 110.4700 110.8858 110.9766 111.3526 111.5982 111.9042 112.1683 112.5424 112.9346 113.0240 113.3049 113.4594 113.5253 113.7810 114.1102 114.2767 114.6628 114.8607 114.9303 115.0194 115.2944 115.4727 115.7765 115.9581 116.0523 116.3453 116.5004 116.7903 117.0752 117.4244 117.4861 117.5887 117.8023 117.9642 118.5831 118.7675 118.9173 119.2936 119.7217 119.9025 120.1371 120.4029 120.5933 120.8365 121.3499 121.4183 121.7714 121.9283 122.0537 122.5501 122.5792 123.0299 123.1842 123.3537 123.4967 123.6947 123.8135 124.3303 124.4432 124.7881 125.3947 125.9893 126.1566 126.7757 127.3386 127.4430 127.8565 128.0068 128.5865 129.3333 129.6573 129.7443 130.0102 130.1203 130.4226 130.7170 130.9432 131.2281 131.4960 131.8192 132.2503 132.4012 132.7711 133.3248 133.7610 134.1704 134.4435 134.6097 135.1264 135.5087 135.6740 136.0069 136.4803 136.9043 137.2167 137.3550 137.6100 137.9505 138.2879 138.5366 138.9503 139.1703 139.2674 139.7769 140.0104 140.3665 140.8903 141.3394 141.4991 141.6875 141.8380 142.3158 142.4774 143.0107 143.4686 144.1816 144.8544 144.9784 145.4892 146.0926 146.1452 146.5377 146.9366 147.4616 147.8863 148.4217 148.4771 149.0795 149.2264 149.4017 150.3626 150.6939 151.2830 151.4985 151.9894 152.0326 152.4696 152.8109 152.9231 153.4753 153.7292 153.9507 154.0712 154.4180 154.4379 154.8877 154.9237 155.2391 155.4309 155.6507 155.8330 156.4466 156.8193 157.1166 157.4883 157.8416 157.9963 158.7588 159.1728 159.3808 160.1418 160.1603 160.4311 160.9724 161.2829 162.4528 162.7423 163.2091 165.7725 167.4305 170.8045 176.7524 177.2326 182.4691 186.6401 187.3538 188.7872 188.9057 190.7785 193.6356 195.6534 197.8109 206.9836 245.1786 259.7444 260.5682 553.6294 619.0332 637.2431 637.9420 639.3536 639.8633 641.2794 642.0021 642.7015 643.6290 643.8155 646.6575 895.6815 1200.1063 -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 0.123749 -0.586797 -0.063329 -0.161192 -0.154013 -0.144079 -0.101479 -0.074275 -0.104989 -0.112337 -0.279676 0.335199 -0.282295 -0.045555 0.074957 0.077556 0.055872 0.093435 0.068619 0.083180 0.090744 0.074035 0.073703 0.015715 0.115116 0.113697 0.054718 0.069114 0.079500 0.092126 0.080408 0.161468 0.177106 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 15.8763 8.5868 7.0633 6.1612 6.1540 6.1441 6.1015 6.0743 6.1050 6.1123 6.2797 5.6648 6.2823 6.0456 0.9250 0.9224 0.9441 0.9066 0.9314 0.9168 0.9093 0.9260 0.9263 0.9843 0.8849 0.8863 0.9453 0.9309 0.9205 0.9079 0.9196 0.8385 0.8229 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 0.1237 -0.5868 -0.0633 -0.1612 -0.1540 -0.1441 -0.1015 -0.0743 -0.1050 -0.1123 -0.2797 0.3352 -0.2823 -0.0456 0.0750 0.0776 0.0559 0.0934 0.0686 0.0832 0.0907 0.0740 0.0737 0.0157 0.1151 0.1137 0.0547 0.0691 0.0795 0.0921 0.0804 0.1615 0.1771 2.5621 1.9108 3.0760 3.9409 3.8581 3.8708 3.7669 3.8526 3.9021 3.8960 3.9401 4.1528 3.9181 3.9584 1.0078 1.0068 1.0183 1.0119 1.0033 1.0094 1.0159 1.0316 1.0108 1.0236 0.9997 1.0147 1.0094 1.0060 0.9983 1.0045 0.9998 0.9995 0.9832 2.5621 1.9108 3.0760 3.9409 3.8581 3.8708 3.7669 3.8526 3.9021 3.8960 3.9401 4.1528 3.9181 3.9584 1.0078 1.0068 1.0183 1.0119 1.0033 1.0094 1.0159 1.0316 1.0108 1.0236 0.9997 1.0147 1.0094 1.0060 0.9983 1.0045 0.9998 0.9995 0.9832 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 1.0091 1.2464 1.7574 0.8624 1.1821 0.9337 0.9420 1.0131 1.0111 0.9021 1.0131 0.9978 0.9204 1.0006 1.0030 0.9181 0.9918 1.0179 0.9432 1.0058 0.9986 0.9997 1.0007 0.9372 1.0050 1.0095 0.9938 0.9988 0.9929 1.1252 1.7094 0.9722 0.9375 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 -0.015328138 -958.868263714005 24.47937 -24.99386 -0.51449 -4.54049 4.27757 -0.26292 2.73124 -0.54436 2.18688 2.26192 5.74934