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:-3.3586,-.6539,.3288;-1.8627,2.2474,-1.5476;-2.2035,.2074,-.5611;2.222,-1.1236,1.3829;1.3482,-1.0223,.1385;3.5621,-1.8164,1.1485;-.0296,-.4477,.4397;4.4856,-1.1379,.1397;-.8941,-.3679,-.8095;4.8983,.2789,.5205;5.9237,.8683,-.4361;-2.5805,1.4781,-.9203;-3.9344,1.7115,-.4391;-4.4431,.6687,.2346;1.6775,-1.6792,2.1533;2.3809,-.1234,1.7985;1.2398,-2.0166,-.3094;1.8383,-.4002,-.6171;3.3745,-2.8443,.8208;4.0869,-1.8988,2.1059;.0677,.5521,.873;-.5239,-1.069,1.1937;4.0203,-1.1264,-.8517;5.3865,-1.7512,.032;-1.0204,-1.3563,-1.2579;-.42,.2615,-1.5627;4.0205,.9313,.551;5.3067,.2759,1.5366;5.5369,.9141,-1.4564;6.2055,1.8826,-.1483;6.8365,.2691,-.4594;-4.4545,2.6411,-.614;-5.4186,.5877,.6919; 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 974.9216831343 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 4.459e-05 Time for diagonalization 0.194 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.165 sec Total time needed 0.362 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:-3.3586,-.6539,.3288;-1.8627,2.2474,-1.5476;-2.2035,.2074,-.5611;2.222,-1.1236,1.3829;1.3482,-1.0223,.1385;3.5621,-1.8164,1.1485;-.0296,-.4477,.4397;4.4856,-1.1379,.1397;-.8941,-.3679,-.8095;4.8983,.2789,.5205;5.9237,.8683,-.4361;-2.5805,1.4781,-.9203;-3.9344,1.7115,-.4391;-4.4431,.6687,.2346;1.6775,-1.6792,2.1533;2.3809,-.1234,1.7985;1.2398,-2.0166,-.3094;1.8383,-.4002,-.6171;3.3745,-2.8443,.8208;4.0869,-1.8988,2.1059;.0677,.5521,.873;-.5239,-1.069,1.1937;4.0203,-1.1264,-.8517;5.3865,-1.7512,.032;-1.0204,-1.3563,-1.2579;-.42,.2615,-1.5627;4.0205,.9313,.551;5.3067,.2759,1.5366;5.5369,.9141,-1.4564;6.2055,1.8826,-.1483;6.8365,.2691,-.4594;-4.4545,2.6411,-.614;-5.4186,.5877,.6919; 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 "1-OCTANOL" 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:-3.3586,-.6539,.3288;-1.8627,2.2474,-1.5476;-2.2035,.2074,-.5611;2.222,-1.1236,1.3829;1.3482,-1.0223,.1385;3.5621,-1.8164,1.1485;-.0296,-.4477,.4397;4.4856,-1.1379,.1397;-.8941,-.3679,-.8095;4.8983,.2789,.5205;5.9237,.8683,-.4361;-2.5805,1.4781,-.9203;-3.9344,1.7115,-.4391;-4.4431,.6687,.2346;1.6775,-1.6792,2.1533;2.3809,-.1234,1.7985;1.2398,-2.0166,-.3094;1.8383,-.4002,-.6171;3.3745,-2.8443,.8208;4.0869,-1.8988,2.1059;.0677,.5521,.873;-.5239,-1.069,1.1937;4.0203,-1.1264,-.8517;5.3865,-1.7512,.032;-1.0204,-1.3563,-1.2579;-.42,.2615,-1.5627;4.0205,.9313,.551;5.3067,.2759,1.5366;5.5369,.9141,-1.4564;6.2055,1.8826,-.1483;6.8365,.2691,-.4594;-4.4545,2.6411,-.614;-5.4186,.5877,.6919; Epsilon 9.8629 Refrac 1.0000 Rsolv 1.3000 Surface type GEPOL SES Epsilon function type CPCM S O N C H 2.4900 1.6280 1.8900 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! ( 0.2s) GEPOL surface points 1322 GEPOL Volume 1741.4080 GEPOL Surface-area 960.7193 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.2s) Overall time for CPCM initialization 0.5s -958.86491343 974.92168313 -1933.78659656 -3244.18449803 1310.39790147 -0.02068875 -1914.37767658 955.51276316 2.00350822 57.999801108586 57.999801108586 115.999602217172 -75.344281341985 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 -2422.0846 -522.4509 -394.1117 -282.5870 -281.1045 -280.6366 -279.9463 -279.4483 -279.2765 -279.1664 -279.1533 -279.1414 -279.1008 -278.9720 -220.5026 -164.8785 -164.7064 -164.5914 -31.7152 -29.5997 -26.0712 -25.1918 -24.4137 -23.4151 -23.3498 -22.1517 -20.8807 -19.7005 -19.3284 -18.9549 -18.1683 -17.7190 -16.4905 -16.0113 -15.5751 -15.3489 -15.1262 -14.8597 -14.4966 -14.2432 -14.0840 -13.9848 -13.4586 -13.1483 -12.7881 -12.5932 -12.3389 -12.2894 -12.0500 -11.8235 -11.4172 -11.3673 -10.9149 -10.8398 -10.7002 -10.0402 -10.0251 -8.4882 1.0208 1.6634 3.1949 3.7285 3.7734 3.8756 4.0827 4.1584 4.3354 4.3901 4.5538 4.7999 5.1560 5.3574 5.4284 5.5676 5.7266 5.7630 5.8897 6.0469 6.1725 6.3666 6.5275 6.8545 6.8908 6.9521 7.1539 7.3699 7.4291 7.5600 7.8767 8.0385 8.0504 8.2010 8.5036 8.6669 8.9343 9.0960 9.2566 9.3463 9.3723 9.5712 9.9083 10.0571 10.1309 10.4403 10.5054 10.6738 10.9592 11.2070 11.3010 11.3441 11.4993 11.6855 12.0150 12.0686 12.4047 12.5862 12.8262 12.8903 13.1616 13.2823 13.3402 13.5028 13.6447 13.7554 13.8604 14.0334 14.1144 14.4323 14.4470 14.5817 14.7172 14.8131 14.8679 15.0622 15.1430 15.3731 15.4329 15.5011 15.5413 15.7182 15.7836 15.8362 16.0654 16.2038 16.5348 16.5713 16.8277 16.8544 17.2378 17.4303 17.6748 17.6977 17.8346 17.9311 18.3823 18.6289 18.7930 19.2235 19.5377 19.6074 19.7512 19.9826 20.4351 20.5341 20.7181 20.8809 21.1068 21.6258 22.1325 22.2292 22.4888 22.8035 22.8725 23.2044 23.5709 23.7573 23.8465 23.9714 24.1257 24.3251 24.6363 25.0554 25.2545 25.4462 25.6629 25.9795 26.2632 26.3991 26.6646 26.8966 27.2461 27.4033 27.7259 27.8667 27.9912 28.2127 28.6677 28.8112 29.1081 29.4535 29.9766 30.1181 30.3022 30.4976 30.6279 30.7080 31.0163 31.1641 31.4231 31.5746 31.8639 32.0352 32.0912 32.2362 32.3557 32.6761 32.9885 33.1709 33.3381 33.4595 33.7392 33.9034 33.9972 34.1303 34.2984 34.5928 34.7624 35.1599 35.4171 35.4540 35.5067 36.1556 36.2061 36.3393 36.4950 36.8328 37.0781 37.1850 37.3808 37.6061 37.6680 38.0942 38.3471 38.5013 38.8891 38.9910 39.1148 39.4202 39.8694 39.9834 40.3808 40.6466 40.9279 41.0515 41.0856 41.2871 41.3989 41.5192 41.8061 41.8871 42.1942 42.3974 42.5000 42.5860 42.7534 42.8347 43.0673 43.1014 43.1354 43.5182 43.6688 43.8360 44.3301 44.3503 44.4374 44.4877 44.6201 45.1105 45.3221 45.4006 45.6066 45.8497 46.1924 46.2563 46.6386 46.7822 46.9748 47.0684 47.3160 47.5178 47.7009 48.0705 48.3128 48.5411 49.2441 49.4622 49.7900 49.8285 50.1435 50.4032 50.6732 50.9732 51.4949 51.6413 51.8328 51.9991 52.3775 52.6759 52.7745 53.6663 54.4502 54.7223 54.9231 55.7989 56.2417 56.7833 57.2132 58.2026 58.2718 59.0320 59.4806 59.6403 59.7044 59.8445 60.0712 60.3281 61.0333 61.1553 61.3635 61.4766 61.9026 62.2660 62.3971 62.9216 63.7091 63.9495 64.3774 64.9790 66.0494 66.2356 66.5612 67.5827 67.6440 67.8105 68.4113 69.5262 69.6015 70.1642 70.4486 70.9914 71.0917 71.4829 71.8099 72.0216 72.1851 72.2898 72.5295 72.7496 72.8222 73.2290 73.4151 73.6653 73.9686 74.3124 74.5139 74.7272 75.1883 75.6408 76.0466 76.1958 76.7287 76.9204 77.0792 77.6703 77.9327 78.5241 78.7714 78.8591 79.1767 79.4830 79.9178 80.2323 80.3378 80.6081 80.8918 80.9948 81.1583 81.2563 81.5853 81.6953 81.8597 82.0404 82.5060 82.6310 82.7683 83.1774 83.4676 83.7784 84.2823 84.5699 84.6833 84.7980 85.3536 85.4920 85.5771 85.7641 86.2807 86.4758 86.6518 86.9324 86.9880 87.2037 87.2390 87.4235 87.6415 87.8336 88.1460 88.2403 88.4698 88.6117 88.7664 89.0203 89.2246 89.3223 89.4456 89.4547 89.7124 89.9750 90.0426 90.1000 90.2250 90.4267 90.4870 90.6905 90.9196 91.2032 91.3325 91.5549 91.6803 92.1836 92.2822 92.4252 92.5361 92.7641 92.9953 93.1870 93.2296 93.6847 93.9337 94.1374 94.2586 94.5784 94.8387 94.9858 95.4589 95.7321 96.5301 96.7049 96.8307 97.1493 97.6551 97.7662 97.9483 98.2714 98.8049 99.1969 99.5088 99.6448 99.9809 100.2693 100.4740 100.5548 100.7740 101.0554 101.4905 101.7949 101.9290 102.3067 102.3682 102.7498 103.1826 103.4698 103.8021 103.9684 104.0799 104.3028 104.4907 104.6188 104.8868 105.4287 105.7053 105.7893 105.9475 106.3999 106.7622 107.1205 107.3501 107.5379 107.6500 107.8962 108.2109 108.4086 108.6432 108.8360 108.9414 109.2122 109.4802 109.6192 109.9162 110.1530 110.1993 110.5661 110.9710 111.0218 111.3941 111.4860 111.7788 111.9706 112.0254 112.3401 112.6611 112.7643 112.9564 113.4636 113.5453 113.8616 113.8951 114.1194 114.3143 114.5583 114.6731 114.7814 114.8911 115.0540 115.3068 115.6025 115.7669 116.0374 116.2604 116.6281 116.7582 117.0752 117.4688 118.0725 118.2506 118.3938 118.6633 118.7529 119.0816 119.3603 119.4848 119.5874 120.0329 120.1258 120.4037 120.6834 120.8607 120.9358 121.3438 121.4874 121.8439 122.0714 122.1903 122.5439 122.7899 123.0134 123.3000 123.3659 123.6217 123.8705 124.4018 124.5189 125.0309 125.7077 126.5961 126.9389 127.1750 127.5664 128.0031 128.1277 128.9646 129.1995 129.6487 129.9859 130.0863 130.3775 130.7364 130.8466 130.8912 131.1239 131.3659 131.7487 132.0139 132.6235 133.0463 133.4205 134.2816 134.5164 135.3061 135.6858 135.7337 135.9062 136.1059 136.2971 136.6495 136.9545 137.2544 137.5893 137.8175 137.9368 138.3220 138.5846 138.8447 139.1755 139.5369 139.9864 140.3865 140.6186 140.7269 140.9809 141.6379 141.7171 141.7863 142.8342 143.2842 143.5345 144.4708 144.7365 145.0556 145.8075 146.1195 146.5043 146.7395 146.9814 147.6045 148.2229 148.6834 148.8492 149.2156 149.3895 149.4724 149.6410 150.0729 150.4499 151.2742 151.6527 152.2666 152.3755 152.4093 152.9564 153.4154 153.5754 153.6448 153.7536 154.1237 154.3225 154.4969 154.7513 154.9449 155.3749 155.6632 156.0028 156.1867 157.0467 157.4092 157.6310 157.8118 158.0451 158.6309 159.0295 159.2568 159.7054 159.9023 160.1805 160.6029 161.2054 161.6220 161.8668 162.3544 164.5377 167.4258 170.8811 176.9009 177.1497 182.4927 186.1569 186.5857 188.6499 189.0652 189.5650 193.5899 195.6652 197.8440 207.0395 244.2447 259.7820 260.5232 552.5059 617.7534 635.8696 636.8892 638.2230 639.5065 640.8620 642.0855 642.2310 642.9616 643.2178 646.0770 896.0161 1198.9300 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 0.114606 -0.550677 -0.072804 -0.138633 -0.140191 -0.156697 -0.086103 -0.136352 -0.079811 -0.084418 -0.280166 0.316102 -0.270429 -0.069390 0.079056 0.070659 0.068569 0.070852 0.073149 0.075781 0.076714 0.064988 0.065115 0.073918 0.124018 0.097162 0.057418 0.059097 0.078246 0.090312 0.078328 0.160035 0.171550 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 15.8854 8.5507 7.0728 6.1386 6.1402 6.1567 6.0861 6.1364 6.0798 6.0844 6.2802 5.6839 6.2704 6.0694 0.9209 0.9293 0.9314 0.9291 0.9269 0.9242 0.9233 0.9350 0.9349 0.9261 0.8760 0.9028 0.9426 0.9409 0.9218 0.9097 0.9217 0.8400 0.8285 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 0.1146 -0.5507 -0.0728 -0.1386 -0.1402 -0.1567 -0.0861 -0.1364 -0.0798 -0.0844 -0.2802 0.3161 -0.2704 -0.0694 0.0791 0.0707 0.0686 0.0709 0.0731 0.0758 0.0767 0.0650 0.0651 0.0739 0.1240 0.0972 0.0574 0.0591 0.0782 0.0903 0.0783 0.1600 0.1715 2.5552 1.9651 3.0890 3.8715 3.8851 3.9160 3.8507 3.8653 3.7924 3.8519 3.9479 4.2120 3.9136 3.9946 1.0103 1.0019 1.0115 1.0072 1.0084 1.0078 1.0166 1.0209 1.0018 1.0092 1.0012 1.0340 1.0041 1.0071 1.0006 1.0033 1.0016 0.9980 0.9866 2.5552 1.9651 3.0890 3.8715 3.8851 3.9160 3.8507 3.8653 3.7924 3.8519 3.9479 4.2120 3.9136 3.9946 1.0103 1.0019 1.0115 1.0072 1.0084 1.0078 1.0166 1.0209 1.0018 1.0092 1.0012 1.0340 1.0041 1.0071 1.0006 1.0033 1.0016 0.9980 0.9866 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 1.0019 1.2590 1.8198 0.8528 1.1884 0.9178 0.9318 1.0067 1.0113 0.9342 1.0038 1.0057 0.9341 1.0145 1.0167 0.9022 1.0013 1.0186 0.9311 1.0029 1.0024 1.0030 0.9937 0.9394 0.9968 1.0015 0.9947 1.0004 0.9978 1.1160 1.7319 0.9682 0.9379 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 -0.012054212 -958.876967637868 37.80636 -38.58848 -0.78211 -5.60991 4.01488 -1.59503 4.23045 -3.05501 1.17544 2.13014 5.41438