1# BSE Version v0.8.4+29.gb6d6a1b 2# Data downloaded at 2019-06-24T14:04 3# ano-vt-tz version number 1 4# Description: ANO-VT-TZ (Atomic Natural Orbital - Virial Theorem - Triple Zeta 5# Role: orbital 6# 7# ******************************************************************************** 8# If you downloaded data from the basis set 9# exchange or used the basis set exchange python library, please cite: 10# ******************************************************************************** 11# Pritchard, Benjamin P., Altarawy, Doaa, Windus, Theresa L. 12# A New Basis Set Exchange: An Open, Up-to-date Resource for the 13# Molecular Sciences Community 14# Manuscript in preparation 15# 16# Feller, David 17# The role of databases in support of computational chemistry 18# calculations 19# J. Comput. Chem., 17, 1571-1586 (1996) 20# 10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P 21# 22# Schuchardt, Karen L., Didier, Brett T., Elsethagen, Todd, Sun, Lisong, 23# Gurumoorthi, Vidhya, Chase, Jared, Li, Jun, Windus, Theresa L. 24# Basis Set Exchange: A Community Database for Computational Sciences 25# J. Chem. Inf. Model., 47, 1045-1052 (2007) 26# 10.1021/ci600510j 27# 28# ******************************************************************************** 29# References for the basis set 30# ******************************************************************************** 31# H-Ar 32# ## ANO-VT-TZ (Atomic Natural Orbital - Virial Theorem - Triple Zeta 33# Claudino, Daniel, Gargano, Ricardo, Bartlett, Rodney J. 34# Coupled-cluster based basis sets for valence correlation calculations 35# J. Chem. Phys., 144, 104106 (2016) 36# 10.1063/1.4943275 37# 38# Claudino, Daniel, Gargano, Ricardo, Bartlett, Rodney J. 39# Erratum: 'Coupled-cluster based basis sets for valence correlation 40# calculations' [J. Chem. Phys. 144, 104106(2016)] 41# J. Chem. Phys., 145, 019901 (2016) 42# 10.1063/1.4954989 43# 44# # 45basis "H_ano-vt-tz" 46#basis SET: (15s,4p,1d) -> [3s,2p,1d] 47H S 48 33.8864400 0.0060680 49 5.0974730 0.0453080 50 1.1595630 0.2028220 51 0.3259580 0.5039029 52 0.1027500 0.3834209 53H S 54 33.8864400 0.0126067 55 5.0974730 0.0898074 56 1.1595630 0.9343927 57 0.3259580 -0.1670379 58 0.1027500 -0.7910604 59H S 60 33.8864400 0.0037710 61 5.0974730 0.2303244 62 1.1595630 0.8061551 63 0.3259580 -0.9877427 64 0.1027500 1.1869996 65H P 66 1.4076830 0.3943838 67 0.3881880 0.7078923 68H P 69 1.4076830 1.2646984 70 0.3881880 -0.7045938 71H D 72 1.0575130 1.0000000 73end 74basis "He_ano-vt-tz" 75#basis SET: (18s,4p,1d) -> [3s,2p,1d] 76He S 77 234.8431580 0.0025918 78 35.2866900 0.0195896 79 8.0177860 0.0914313 80 2.2199700 0.2730242 81 0.6693030 0.4744713 82 0.2096530 0.3106845 83He S 84 234.8431580 0.0041982 85 35.2866900 0.0326343 86 8.0177860 0.2010499 87 2.2199700 0.8013087 88 0.6693030 0.0254873 89 0.2096530 -0.8043599 90He S 91 234.8431580 0.0079010 92 35.2866900 0.0376277 93 8.0177860 0.5581801 94 2.2199700 0.7852818 95 0.6693030 -1.1419737 96 0.2096530 0.8872030 97He P 98 3.0549680 0.3027540 99 0.7607310 0.7958127 100He P 101 3.0549680 1.1863860 102 0.7607310 -0.4513413 103He D 104 1.9720800 1.0000000 105end 106basis "Li_ano-vt-tz" 107#basis SET: (44s,15p,4d,1f) -> [4s,3p,2d,1f] 108Li S 109 5988.1167540 0.0001330 110 898.9175270 0.0010250 111 205.9040150 0.0052720 112 59.2411550 0.0209290 113 19.8703870 0.0663400 114 7.4061440 0.1657750 115 2.9300570 0.3150380 116 1.1890230 0.3935230 117 0.4798090 0.1908700 118 0.0750910 0.0054140 119 0.0283210 -0.0013280 120Li S 121 5988.1167540 -0.0000210 122 898.9175270 -0.0001610 123 205.9040150 -0.0008200 124 59.2411550 -0.0033260 125 19.8703870 -0.0105190 126 7.4061440 -0.0280970 127 2.9300570 -0.0559359 128 1.1890230 -0.0992369 129 0.4798090 -0.1121888 130 0.0750910 0.5678882 131 0.0283210 0.5303812 132Li S 133 5988.1167540 0.0000012 134 898.9175270 0.0000453 135 205.9040150 -0.0000470 136 59.2411550 0.0013630 137 19.8703870 -0.0023916 138 7.4061440 0.0184025 139 2.9300570 -0.0339893 140 1.1890230 0.1180389 141 0.4798090 -0.1445716 142 0.0750910 -1.5032557 143 0.0283210 1.8083911 144Li S 145 5988.1167540 0.0001554 146 898.9175270 0.0012812 147 205.9040150 0.0059519 148 59.2411550 0.0268269 149 19.8703870 0.0684634 150 7.4061440 0.2146874 151 2.9300570 0.1997516 152 1.1890230 0.3180205 153 0.4798090 -1.1969439 154 0.0750910 -0.0485805 155 0.0283210 -0.1551909 156Li P 157 3.2660640 0.0086300 158 0.6511130 0.0475381 159 0.1696030 0.2097725 160 0.0557810 0.5285234 161 0.0205000 0.3827450 162Li P 163 3.2660640 0.0407523 164 0.6511130 0.1655699 165 0.1696030 0.9980733 166 0.0557810 -0.6154147 167 0.0205000 -0.4064371 168Li P 169 3.2660640 0.0814734 170 0.6511130 0.6557634 171 0.1696030 0.0889270 172 0.0557810 -0.1581239 173 0.0205000 0.7331079 174Li D 175 0.1874040 0.3470063 176 0.0801020 0.7167061 177Li D 178 0.1874040 1.3840204 179 0.0801020 -0.6700987 180Li F 181 0.1829040 1.0000000 182end 183basis "Be_ano-vt-tz" 184#basis SET: (44s,15p,4d,1f) -> [4s,3p,2d,1f] 185Be S 186 6863.2813860 0.0001498 187 1030.0422300 0.0011588 188 234.7096230 0.0060067 189 66.5627290 0.0241779 190 21.6908890 0.0772031 191 7.7343170 0.1852548 192 2.9161200 0.3034055 193 1.1300460 0.2501072 194 0.2577110 -0.2004110 195 0.1101050 -0.5517752 196 0.0440920 -0.2322747 197Be S 198 6863.2813860 0.0001934 199 1030.0422300 0.0014967 200 234.7096230 0.0077397 201 66.5627290 0.0310575 202 21.6908890 0.0977645 203 7.7343170 0.2281726 204 2.9161200 0.3341935 205 1.1300460 0.1784897 206 0.2577110 0.1185373 207 0.1101050 0.2639755 208 0.0440920 0.1172894 209Be S 210 6863.2813860 0.0000291 211 1030.0422300 0.0002485 212 234.7096230 0.0010905 213 66.5627290 0.0051653 214 21.6908890 0.0100991 215 7.7343170 0.0284733 216 2.9161200 -0.0383360 217 1.1300460 -0.0732732 218 0.2577110 1.4841383 219 0.1101050 -0.3077786 220 0.0440920 -0.6517466 221Be S 222 6863.2813860 -0.0000142 223 1030.0422300 0.0000350 224 234.7096230 -0.0009433 225 66.5627290 0.0019840 226 21.6908890 -0.0228381 227 7.7343170 0.0249646 228 2.9161200 -0.2185543 229 1.1300460 0.2771477 230 0.2577110 0.4192313 231 0.1101050 -0.6690437 232 0.0440920 1.2530561 233Be P 234 7.4363050 0.0110227 235 1.5770650 0.0478929 236 0.4352180 0.2972681 237 0.1438060 0.6586223 238 0.0499420 0.1351100 239Be P 240 7.4363050 0.0364851 241 1.5770650 0.6353991 242 0.4352180 -1.6588292 243 0.1438060 0.6728166 244 0.0499420 0.1417490 245Be P 246 7.4363050 0.0006128 247 1.5770650 0.2517293 248 0.4352180 0.0773608 249 0.1438060 -0.2829040 250 0.0499420 1.1195852 251Be D 252 0.3480140 0.2285608 253 0.1803070 0.8020644 254Be D 255 0.3480140 1.2825321 256 0.1803070 -0.3654776 257Be F 258 0.3250130 1.0000000 259end 260basis "B_ano-vt-tz" 261#basis SET: (40s,15p,4d,1f) -> [4s,3p,2d,1f] 262B S 263 5473.6053310 0.0003557 264 820.9907940 0.0027482 265 186.8206610 0.0141000 266 52.8358430 0.0546171 267 17.0818890 0.1577129 268 5.9996640 0.3063788 269 2.2082440 0.3072575 270 0.5879650 -0.0942946 271 0.2415270 -0.5535041 272 0.0861100 -0.3415642 273B S 274 5473.6053310 0.0004508 275 820.9907940 0.0034822 276 186.8206610 0.0177937 277 52.8358430 0.0682686 278 17.0818890 0.1912315 279 5.9996640 0.3395243 280 2.2082440 0.2347221 281 0.5879650 0.0861006 282 0.2415270 0.2593198 283 0.0861100 0.1716769 284B S 285 5473.6053310 0.0000874 286 820.9907940 0.0006965 287 186.8206610 0.0033298 288 52.8358430 0.0130757 289 17.0818890 0.0274596 290 5.9996640 0.0340672 291 2.2082440 -0.1183042 292 0.5879650 0.8205528 293 0.2415270 0.5984645 294 0.0861100 -1.2572887 295B S 296 5473.6053310 0.0000574 297 820.9907940 0.0003936 298 186.8206610 0.0022662 299 52.8358430 0.0055847 300 17.0818890 0.0137764 301 5.9996640 -0.0449321 302 2.2082440 -0.1184564 303 0.5879650 1.3299998 304 0.2415270 -0.6606176 305 0.0861100 0.5638491 306B P 307 12.0513330 0.0132186 308 2.6132890 0.0774213 309 0.7475830 0.2849163 310 0.2385260 0.5228387 311 0.0769890 0.3242240 312B P 313 12.0513330 0.0092252 314 2.6132890 -0.0214961 315 0.7475830 0.4537659 316 0.2385260 0.4608433 317 0.0769890 -1.1371449 318B P 319 12.0513330 0.0350307 320 2.6132890 0.2458431 321 0.7475830 1.1303385 322 0.2385260 -0.7434255 323 0.0769890 0.1454035 324B D 325 0.6610730 0.4152168 326 0.1990220 0.7092437 327B D 328 0.6610730 1.1973651 329 0.1990220 -0.7009806 330B F 331 0.4900540 1.0000000 332end 333basis "C_ano-vt-tz" 334#basis SET: (40s,15p,4d,1f) -> [4s,3p,2d,1f] 335C S 336 8236.6177120 0.0003441 337 1235.0926270 0.0026615 338 280.8210600 0.0136979 339 79.2759450 0.0536039 340 25.5919190 0.1572572 341 8.9976750 0.3118689 342 3.3192490 0.3120195 343 0.9059680 -0.1142640 344 0.3643270 -0.5402732 345 0.1285100 -0.3422075 346C S 347 8236.6177120 0.0004263 348 1235.0926270 0.0032953 349 280.8210600 0.0169007 350 79.2759450 0.0653850 351 25.5919190 0.1858719 352 8.9976750 0.3334619 353 3.3192490 0.2345137 354 0.9059680 0.0991551 355 0.3643270 0.2571345 356 0.1285100 0.1750152 357C S 358 8236.6177120 0.0000779 359 1235.0926270 0.0006168 360 280.8210600 0.0030015 361 79.2759450 0.0117379 362 25.5919190 0.0263563 363 8.9976750 0.0317734 364 3.3192490 -0.0942339 365 0.9059680 0.6593277 366 0.3643270 0.7068093 367 0.1285100 -1.3789427 368C S 369 8236.6177120 0.0000611 370 1235.0926270 0.0004247 371 280.8210600 0.0024117 372 79.2759450 0.0063301 373 25.5919190 0.0154267 374 8.9976750 -0.0510822 375 3.3192490 -0.1295388 376 0.9059680 1.4527158 377 0.3643270 -0.6427303 378 0.1285100 0.3731848 379C P 380 18.7114030 0.0141162 381 4.1333100 0.0861531 382 1.2000900 0.2939949 383 0.3827290 0.5041039 384 0.1209090 0.3360332 385C P 386 18.7114030 0.0166266 387 4.1333100 0.0570935 388 1.2000900 0.5524017 389 0.3827290 0.3408035 390 0.1209090 -1.0098918 391C P 392 18.7114030 0.0406694 393 4.1333100 0.3226447 394 1.2000900 1.0793496 395 0.3827290 -0.8913972 396 0.1209090 0.3084888 397C D 398 1.0970820 0.3971187 399 0.3180240 0.7306328 400C D 401 1.0970820 1.1805068 402 0.3180240 -0.6416374 403C F 404 0.7610570 1.0000000 405end 406basis "N_ano-vt-tz" 407#basis SET: (40s,15p,4d,1f) -> [4s,3p,2d,1f] 408N S 409 11419.9840120 0.0003383 410 1711.9976030 0.0026187 411 389.2994550 0.0134825 412 109.9998460 0.0528612 413 35.5699500 0.1562273 414 12.5399820 0.3129526 415 4.6439930 0.3121471 416 1.2929980 -0.1257363 417 0.5117990 -0.5319048 418 0.1787000 -0.3473181 419N S 420 11419.9840120 0.0004182 421 1711.9976030 0.0032330 422 389.2994550 0.0165899 423 109.9998460 0.0642308 424 35.5699500 0.1836833 425 12.5399820 0.3306136 426 4.6439930 0.2350196 427 1.2929980 0.1064602 428 0.5117990 0.2522311 429 0.1787000 0.1773653 430N S 431 11419.9840120 0.0000737 432 1711.9976030 0.0005787 433 389.2994550 0.0028505 434 109.9998460 0.0110561 435 35.5699500 0.0260765 436 12.5399820 0.0322345 437 4.6439930 -0.0759984 438 1.2929980 0.5200385 439 0.5117990 0.8121474 440 0.1787000 -1.4577680 441N S 442 11419.9840120 0.0000628 443 1711.9976030 0.0004405 444 389.2994550 0.0024711 445 109.9998460 0.0066474 446 35.5699500 0.0155939 447 12.5399820 -0.0553706 448 4.6439930 -0.1348049 449 1.2929980 1.5121050 450 0.5117990 -0.6013148 451 0.1787000 0.2105576 452N P 453 26.6299630 0.0147790 454 5.9479920 0.0918374 455 1.7419980 0.3022186 456 0.5549990 0.4965955 457 0.1725000 0.3356606 458N P 459 26.6299630 0.0204510 460 5.9479920 0.1014445 461 1.7419980 0.5940850 462 0.5549990 0.2523469 463 0.1725000 -0.9368883 464N P 465 26.6299630 0.0428045 466 5.9479920 0.3520030 467 1.7419980 1.0535043 468 0.5549990 -1.0028670 469 0.1725000 0.4369623 470N D 471 1.6539980 0.3858000 472 0.4689990 0.7434298 473N D 474 1.6539980 1.1709966 475 0.4689990 -0.6076842 476N F 477 1.0929980 1.0000000 478end 479basis "O_ano-vt-tz" 480#basis SET: (40s,15p,4d,1f) -> [4s,3p,2d,1f] 481O S 482 15329.8543650 0.0003301 483 2298.9781600 0.0025559 484 522.3950370 0.0131947 485 147.2986010 0.0521219 486 47.5495480 0.1554759 487 16.7598410 0.3156168 488 6.2069410 0.3150355 489 1.7519830 -0.1323474 490 0.6881930 -0.5364969 491 0.2383980 -0.3402577 492O S 493 15329.8543650 0.0004052 494 2298.9781600 0.0031319 495 522.3950370 0.0161226 496 147.2986010 0.0628124 497 47.5495480 0.1812384 498 16.7598410 0.3286292 499 6.2069410 0.2366879 500 1.7519830 0.1108239 501 0.6881930 0.2543313 502 0.2383980 0.1729388 503O S 504 15329.8543650 0.0000733 505 2298.9781600 0.0005821 506 522.3950370 0.0028242 507 147.2986010 0.0111754 508 47.5495480 0.0247627 509 16.7598410 0.0273508 510 6.2069410 -0.0995353 511 1.7519830 0.6972685 512 0.6881930 0.6409774 513 0.2383980 -1.3355098 514O S 515 15329.8543650 0.0000564 516 2298.9781600 0.0003881 517 522.3950370 0.0022424 518 147.2986010 0.0056945 519 47.5495480 0.0139675 520 16.7598410 -0.0614072 521 6.2069410 -0.1389943 522 1.7519830 1.5345598 523 0.6881930 -0.7710451 524 0.2383980 0.4405429 525O P 526 34.4596730 0.0160413 527 7.7489260 0.1000467 528 2.2799780 0.3141226 529 0.7155930 0.4851356 530 0.2139980 0.3397906 531O P 532 34.4596730 0.0209773 533 7.7489260 0.1160220 534 2.2799780 0.5590199 535 0.7155930 0.2716346 536 0.2139980 -0.9397685 537O P 538 34.4596730 0.0420955 539 7.7489260 0.3372546 540 2.2799780 1.0607478 541 0.7155930 -1.0225267 542 0.2139980 0.3780055 543O D 544 2.3139780 0.3806057 545 0.6449940 0.7502861 546O D 547 2.3139780 1.1638572 548 0.6449940 -0.5904023 549O F 550 1.4279860 1.0000000 551end 552basis "F_ano-vt-tz" 553#basis SET: (40s,15p,4d,1f) -> [4s,3p,2d,1f] 554F S 555 19501.1232160 0.0003307 556 2923.1683670 0.0025614 557 664.5382760 0.0132127 558 187.5108000 0.0522347 559 60.6234920 0.1560135 560 21.4212340 0.3180083 561 7.9504580 0.3150092 562 2.2571300 -0.1410519 563 0.8815510 -0.5383177 564 0.3041180 -0.3329600 565F S 566 19501.1232160 0.0004036 567 2923.1683670 0.0031195 568 664.5382760 0.0160526 569 187.5108000 0.0625144 570 60.6234920 0.1805499 571 21.4212340 0.3269198 572 7.9504580 0.2362112 573 2.2571300 0.1154359 574 0.8815510 0.2554818 575 0.3041180 0.1688279 576F S 577 19501.1232160 0.0000734 578 2923.1683670 0.0005837 579 664.5382760 0.0028151 580 187.5108000 0.0110987 581 60.6234920 0.0235895 582 21.4212340 0.0205107 583 7.9504580 -0.1144387 584 2.2571300 0.8369903 585 0.8815510 0.4943825 586 0.3041180 -1.2296428 587F S 588 19501.1232160 0.0000487 589 2923.1683670 0.0003100 590 664.5382760 0.0019782 591 187.5108000 0.0039361 592 60.6234920 0.0122497 593 21.4212340 -0.0750004 594 7.9504580 -0.1255534 595 2.2571300 1.5159266 596 0.8815510 -0.9256592 597 0.3041180 0.6704014 598F P 599 43.8825280 0.0167641 600 9.9265720 0.1049195 601 2.9301690 0.3201421 602 0.9132530 0.4803359 603 0.2672150 0.3402237 604F P 605 43.8825280 0.0234960 606 9.9265720 0.1377052 607 2.9301690 0.5962130 608 0.9132530 0.1971955 609 0.2672150 -0.8830507 610F P 611 43.8825280 0.0417308 612 9.9265720 0.3625904 613 2.9301690 1.0185010 614 0.9132530 -1.1115759 615 0.2672150 0.4970915 616F D 617 3.1071790 0.3752640 618 0.8550490 0.7565312 619F D 620 3.1071790 1.1586610 621 0.8550490 -0.5747335 622F F 623 1.9171100 1.0000000 624end 625basis "Ne_ano-vt-tz" 626#basis SET: (40s,15p,4d,1f) -> [4s,3p,2d,1f] 627Ne S 628 24352.4935040 0.0003278 629 3650.3737700 0.0025403 630 829.6849530 0.0131096 631 234.0239620 0.0519869 632 75.6177430 0.1559606 633 26.7327370 0.3195546 634 9.9280170 0.3154952 635 2.8362900 -0.1454803 636 1.1021130 -0.5387650 637 0.3782390 -0.3303494 638Ne S 639 24352.4935040 0.0003986 640 3650.3737700 0.0030813 641 829.6849530 0.0158673 642 234.0239620 0.0619384 643 75.6177430 0.1796174 644 26.7327370 0.3258063 645 9.9280170 0.2366202 646 2.8362900 0.1182217 647 1.1021130 0.2557793 648 0.3782390 0.1671285 649Ne S 650 24352.4935040 0.0000725 651 3650.3737700 0.0005769 652 829.6849530 0.0027798 653 234.0239620 0.0109381 654 75.6177430 0.0228660 655 26.7327370 0.0161524 656 9.9280170 -0.1219098 657 2.8362900 0.9075699 658 1.1021130 0.4173737 659 0.3782390 -1.1685431 660Ne S 661 24352.4935040 0.0000433 662 3650.3737700 0.0002574 663 829.6849530 0.0017931 664 234.0239620 0.0028202 665 75.6177430 0.0112356 666 26.7327370 -0.0826555 667 9.9280170 -0.1168533 668 2.8362900 1.4888057 669 1.1021130 -1.0105197 670 0.3782390 0.8066747 671Ne P 672 54.7056010 0.0172431 673 12.4312730 0.1081872 674 3.6793770 0.3241150 675 1.1431170 0.4779217 676 0.3300340 0.3390502 677Ne P 678 54.7056010 0.0252836 679 12.4312730 0.1539174 680 3.6793770 0.6186192 681 1.1431170 0.1444280 682 0.3300340 -0.8453525 683Ne P 684 54.7056010 0.0409152 685 12.4312730 0.3798476 686 3.6793770 0.9775153 687 1.1431170 -1.1664230 688 0.3300340 0.5864361 689Ne D 690 4.0144110 0.3744934 691 1.0961120 0.7583230 692Ne D 693 4.0144110 1.1556284 694 1.0961120 -0.5707003 695Ne F 696 2.5442610 1.0000000 697end 698basis "Na_ano-vt-tz" 699#basis SET: (80s,40p,4d,1f) -> [5s,4p,2d,1f] 700Na S 701 423007.4095200 0.0000181 702 63341.1095010 0.0001404 703 14410.2524140 0.0007384 704 4077.0714150 0.0031118 705 1328.0232620 0.0112079 706 478.6083830 0.0352828 707 186.2032620 0.0959893 708 76.9213470 0.2137386 709 33.3205840 0.3486876 710 15.0002630 0.3245678 711 6.8691200 0.1126292 712 2.6830470 0.0070680 713 1.1090190 0.0005980 714 0.4540080 0.0002041 715 0.0601510 -0.0000053 716 0.0238200 0.0000018 717Na S 718 423007.4095200 -0.0000044 719 63341.1095010 -0.0000343 720 14410.2524140 -0.0001801 721 4077.0714150 -0.0007639 722 1328.0232620 -0.0027525 723 478.6083830 -0.0088602 724 186.2032620 -0.0247939 725 76.9213470 -0.0605997 726 33.3205840 -0.1164494 727 15.0002630 -0.1624391 728 6.8691200 -0.0438888 729 2.6830470 0.3379181 730 1.1090190 0.5613469 731 0.4540080 0.2452386 732 0.0601510 0.0040675 733 0.0238200 -0.0012675 734Na S 735 423007.4095200 0.0000007 736 63341.1095010 0.0000052 737 14410.2524140 0.0000271 738 4077.0714150 0.0001146 739 1328.0232620 0.0004151 740 478.6083830 0.0013298 741 186.2032620 0.0037560 742 76.9213470 0.0091402 743 33.3205840 0.0179860 744 15.0002630 0.0251480 745 6.8691200 0.0076352 746 2.6830470 -0.0614590 747 1.1090190 -0.1157200 748 0.4540080 -0.1589100 749 0.0601510 0.6264099 750 0.0238200 0.4754000 751Na S 752 423007.4095200 0.0000002 753 63341.1095010 0.0000018 754 14410.2524140 0.0000108 755 4077.0714150 0.0000355 756 1328.0232620 0.0001711 757 478.6083830 0.0003472 758 186.2032620 0.0014830 759 76.9213470 0.0009653 760 33.3205840 0.0048734 761 15.0002630 -0.0107037 762 6.8691200 0.0153697 763 2.6830470 -0.0067831 764 1.1090190 0.0942133 765 0.4540080 -0.1762414 766 0.0601510 -1.2442782 767 0.0238200 1.8054507 768Na S 769 423007.4095200 0.0000023 770 63341.1095010 0.0000167 771 14410.2524140 0.0000924 772 4077.0714150 0.0003601 773 1328.0232620 0.0014080 774 478.6083830 0.0038075 775 186.2032620 0.0112487 776 76.9213470 0.0153445 777 33.3205840 0.0214654 778 15.0002630 -0.0543032 779 6.8691200 0.0395563 780 2.6830470 0.1739073 781 1.1090190 0.4265596 782 0.4540080 -1.2278683 783 0.0601510 -0.1039880 784 0.0238200 -0.2138669 785Na P 786 243.3042620 0.0022439 787 57.3910050 0.0174001 788 18.1003170 0.0774126 789 6.5751150 0.2191017 790 2.5210440 0.3785229 791 0.9607170 0.3949030 792 0.3512060 0.1604212 793 0.0982720 0.0023331 794 0.0373410 0.0019954 795 0.0150000 -0.0007773 796Na P 797 243.3042620 -0.0002224 798 57.3910050 -0.0017428 799 18.1003170 -0.0077546 800 6.5751150 -0.0225190 801 2.5210440 -0.0384330 802 0.9607170 -0.0450180 803 0.3512060 -0.0192130 804 0.0982720 0.1826999 805 0.0373410 0.5578996 806 0.0150000 0.3730197 807Na P 808 243.3042620 0.0001580 809 57.3910050 0.0009906 810 18.1003170 0.0057757 811 6.5751150 0.0114651 812 2.5210440 0.0304482 813 0.9607170 -0.0050727 814 0.3512060 -0.0543750 815 0.0982720 1.3228304 816 0.0373410 -1.2970124 817 0.0150000 -0.1683871 818Na P 819 243.3042620 0.0003925 820 57.3910050 -0.0013674 821 18.1003170 0.0156205 822 6.5751150 -0.0497550 823 2.5210440 0.1216647 824 0.9607170 -0.4969009 825 0.3512060 0.9904642 826 0.0982720 0.0842358 827 0.0373410 -0.0230173 828 0.0150000 0.5533115 829Na D 830 0.1367020 0.3853247 831 0.0636010 0.6702875 832Na D 833 0.1367020 1.5158791 834 0.0636010 -0.8714257 835Na F 836 0.1397020 1.0000000 837end 838basis "Mg_ano-vt-tz" 839#basis SET: (75s,40p,4d,1f) -> [5s,4p,2d,1f] 840Mg S 841 164902.0998420 0.0000342 842 24710.3146580 0.0002663 843 5628.0716670 0.0013911 844 1596.0203240 0.0058040 845 521.0066340 0.0202835 846 188.0023940 0.0599431 847 73.0109300 0.1405960 848 29.9003810 0.2392332 849 12.5401600 0.2004184 850 4.3060550 -0.1622632 851 1.8260230 -0.5268301 852 0.7417090 -0.4164476 853 0.1457020 0.1409431 854 0.0761210 0.3801019 855 0.0331000 0.1650123 856Mg S 857 164902.0998420 0.0000425 858 24710.3146580 0.0003304 859 5628.0716670 0.0017268 860 1596.0203240 0.0071803 861 521.0066340 0.0249841 862 188.0023940 0.0725336 863 73.0109300 0.1643628 864 29.9003810 0.2528626 865 12.5401600 0.1810379 866 4.3060550 -0.0407915 867 1.8260230 -0.1685040 868 0.7417090 -0.0118492 869 0.1457020 -0.1930103 870 0.0761210 -0.4339019 871 0.0331000 -0.1998648 872Mg S 873 164902.0998420 0.0000530 874 24710.3146580 0.0004115 875 5628.0716670 0.0021519 876 1596.0203240 0.0089145 877 521.0066340 0.0309294 878 188.0023940 0.0882308 879 73.0109300 0.1938488 880 29.9003810 0.2663714 881 12.5401600 0.1546769 882 4.3060550 0.1106311 883 1.8260230 0.2452649 884 0.7417090 0.1307914 885 0.1457020 0.0682474 886 0.0761210 0.1396086 887 0.0331000 0.0666449 888Mg S 889 164902.0998420 0.0000023 890 24710.3146580 0.0000192 891 5628.0716670 0.0000944 892 1596.0203240 0.0004191 893 521.0066340 0.0012830 894 188.0023940 0.0039471 895 73.0109300 0.0056345 896 29.9003810 0.0063412 897 12.5401600 -0.0127449 898 4.3060550 0.0506625 899 1.8260230 -0.0194026 900 0.7417090 -0.0987748 901 0.1457020 1.7614623 902 0.0761210 -0.6007864 903 0.0331000 -0.3821635 904Mg S 905 164902.0998420 0.0000011 906 24710.3146580 0.0000036 907 5628.0716670 -0.0000062 908 1596.0203240 0.0001122 909 521.0066340 -0.0002382 910 188.0023940 0.0016680 911 73.0109300 -0.0040631 912 29.9003810 0.0129091 913 12.5401600 -0.0306702 914 4.3060550 0.0836436 915 1.8260230 -0.2688803 916 0.7417090 0.3321673 917 0.1457020 0.1073090 918 0.0761210 -0.6054336 919 0.0331000 1.3864690 920Mg P 921 316.9040350 0.0020777 922 74.8609530 0.0163054 923 23.7203020 0.0739556 924 8.6691100 0.2145372 925 3.3630430 0.3826157 926 1.3100170 0.3987542 927 0.4911060 0.1534557 928 0.2364030 -0.0066553 929 0.0873310 0.0022705 930 0.0323700 -0.0020383 931Mg P 932 316.9040350 0.0000850 933 74.8609530 0.0007073 934 23.7203020 0.0028203 935 8.6691100 0.0083442 936 3.3630430 0.0100918 937 1.3100170 0.0093163 938 0.4911060 -0.0552954 939 0.2364030 0.3712015 940 0.0873310 0.6709367 941 0.0323700 0.0756369 942Mg P 943 316.9040350 0.0005109 944 74.8609530 0.0035035 945 23.7203020 0.0191250 946 8.6691100 0.0441374 947 3.3630430 0.0966043 948 1.3100170 -0.0280898 949 0.4911060 -0.1628619 950 0.2364030 1.5377202 951 0.0873310 -0.8418457 952 0.0323700 -0.2131533 953Mg P 954 316.9040350 0.0002664 955 74.8609530 -0.0005947 956 23.7203020 0.0137996 957 8.6691100 -0.0183571 958 3.3630430 0.0852680 959 1.3100170 -0.5042430 960 0.4911060 1.1246160 961 0.2364030 0.1319123 962 0.0873310 0.0065325 963 0.0323700 0.1690841 964Mg D 965 0.2940040 0.3652274 966 0.1260020 0.6998702 967Mg D 968 0.2940040 -1.4098756 969 0.1260020 0.7357438 970Mg F 971 0.2520030 1.0000000 972end 973basis "Al_ano-vt-tz" 974#basis SET: (75s,36p,4d,1f) -> [5s,4p,2d,1f] 975Al S 976 205502.9893830 0.0000271 977 30780.4477530 0.0002108 978 7006.1019150 0.0011048 979 1985.0288760 0.0046089 980 649.1094420 0.0161263 981 235.0034190 0.0478193 982 91.6213330 0.1147112 983 37.6705480 0.2031349 984 15.9102310 0.1932861 985 5.8500850 -0.1002335 986 2.5420370 -0.4925956 987 1.0570150 -0.4885427 988 0.2931040 0.0484623 989 0.1455020 0.5207017 990 0.0565010 0.2679458 991Al S 992 205502.9893830 0.0000419 993 30780.4477530 0.0003259 994 7006.1019150 0.0017072 995 1985.0288760 0.0071038 996 649.1094420 0.0247181 997 235.0034190 0.0721155 998 91.6213330 0.1668516 999 37.6705480 0.2693278 1000 15.9102310 0.2178187 1001 5.8500850 -0.0328415 1002 2.5420370 -0.2364845 1003 1.0570150 -0.0922505 1004 0.2931040 -0.0796583 1005 0.1455020 -0.4218747 1006 0.0565010 -0.2282281 1007Al S 1008 205502.9893830 0.0000502 1009 30780.4477530 0.0003893 1010 7006.1019150 0.0020398 1011 1985.0288760 0.0084615 1012 649.1094420 0.0293038 1013 235.0034190 0.0839985 1014 91.6213330 0.1872705 1015 37.6705480 0.2693674 1016 15.9102310 0.1693646 1017 5.8500850 0.0923758 1018 2.5420370 0.2340250 1019 1.0570150 0.1598722 1020 0.2931040 0.0331302 1021 0.1455020 0.1304834 1022 0.0565010 0.0732549 1023Al S 1024 205502.9893830 0.0000030 1025 30780.4477530 0.0000230 1026 7006.1019150 0.0001214 1027 1985.0288760 0.0004921 1028 649.1094420 0.0016976 1029 235.0034190 0.0044268 1030 91.6213330 0.0085436 1031 37.6705480 0.0036731 1032 15.9102310 -0.0078766 1033 5.8500850 0.0232242 1034 2.5420370 0.0889315 1035 1.0570150 -0.2017920 1036 0.2931040 1.2549487 1037 0.1455020 0.2414156 1038 0.0565010 -0.8935288 1039Al S 1040 205502.9893830 0.0000015 1041 30780.4477530 0.0000122 1042 7006.1019150 0.0000556 1043 1985.0288760 0.0002734 1044 649.1094420 0.0007251 1045 235.0034190 0.0026992 1046 91.6213330 0.0026780 1047 37.6705480 0.0067310 1048 15.9102310 -0.0148787 1049 5.8500850 0.0426335 1050 2.5420370 -0.0730094 1051 1.0570150 -0.0097372 1052 0.2931040 0.8330500 1053 0.1455020 -0.6546179 1054 0.0565010 0.9893808 1055Al P 1056 444.4064650 0.0016399 1057 105.1015290 0.0131721 1058 33.4704870 0.0616902 1059 12.3301790 0.1894301 1060 4.8690710 0.3631141 1061 1.9610290 0.4128446 1062 0.7834110 0.1877203 1063 0.1888030 -0.0160857 1064 0.0555710 -0.0249567 1065Al P 1066 444.4064650 0.0001082 1067 105.1015290 0.0007331 1068 33.4704870 0.0039801 1069 12.3301790 0.0088834 1070 4.8690710 0.0234063 1071 1.9610290 0.0001946 1072 0.7834110 0.0605680 1073 0.1888030 0.5459253 1074 0.0555710 0.5251468 1075Al P 1076 444.4064650 0.0000287 1077 105.1015290 -0.0006021 1078 33.4704870 0.0014607 1079 12.3301790 -0.0129280 1080 4.8690710 0.0205232 1081 1.9610290 -0.1143257 1082 0.7834110 0.1645655 1083 0.1888030 1.0884620 1084 0.0555710 -1.1511736 1085Al P 1086 444.4064650 0.0000413 1087 105.1015290 -0.0059592 1088 33.4704870 0.0050730 1089 12.3301790 -0.1133652 1090 4.8690710 0.1294024 1091 1.9610290 -0.8071512 1092 0.7834110 1.6259845 1093 0.1888030 -0.2555581 1094 0.0555710 0.0745553 1095Al D 1096 0.3330050 0.4658912 1097 0.1090020 0.6500937 1098Al D 1099 0.3330050 -1.2299836 1100 0.1090020 0.8814708 1101Al F 1102 0.2440040 1.0000000 1103end 1104basis "Si_ano-vt-tz" 1105#basis SET: (75s,36p,4d,1f) -> [5s,4p,2d,1f] 1106Si S 1107 254902.4094320 0.0000241 1108 38190.3609890 0.0001878 1109 8690.0821420 0.0009854 1110 2462.0232720 0.0041123 1111 804.8076070 0.0144623 1112 291.3027540 0.0431936 1113 113.6010740 0.1057348 1114 46.7504420 0.1932152 1115 19.8201870 0.2017326 1116 7.7080730 -0.0597996 1117 3.3400320 -0.4870196 1118 1.4020130 -0.5449519 1119 0.4387040 0.0389098 1120 0.2070020 0.5468281 1121 0.0794410 0.2840467 1122Si S 1123 254902.4094320 0.0000395 1124 38190.3609890 0.0003070 1125 8690.0821420 0.0016096 1126 2462.0232720 0.0067047 1127 804.8076070 0.0234228 1128 291.3027540 0.0688649 1129 113.6010740 0.1621079 1130 46.7504420 0.2701898 1131 19.8201870 0.2359653 1132 7.7080730 -0.0065272 1133 3.3400320 -0.2321408 1134 1.4020130 -0.1088302 1135 0.4387040 -0.0809747 1136 0.2070020 -0.4133321 1137 0.0794410 -0.2248643 1138Si S 1139 254902.4094320 0.0000459 1140 38190.3609890 0.0003565 1141 8690.0821420 0.0018686 1142 2462.0232720 0.0077655 1143 804.8076070 0.0269815 1144 291.3027540 0.0780807 1145 113.6010740 0.1770399 1146 46.7504420 0.2654784 1147 19.8201870 0.1790389 1148 7.7080730 0.0813365 1149 3.3400320 0.2252719 1150 1.4020130 0.1721822 1151 0.4387040 0.0379085 1152 0.2070020 0.1373065 1153 0.0794410 0.0771714 1154Si S 1155 254902.4094320 0.0000030 1156 38190.3609890 0.0000223 1157 8690.0821420 0.0001202 1158 2462.0232720 0.0004771 1159 804.8076070 0.0017030 1160 291.3027540 0.0043196 1161 113.6010740 0.0091691 1162 46.7504420 0.0037095 1163 19.8201870 -0.0050339 1164 7.7080730 0.0053181 1165 3.3400320 0.1174543 1166 1.4020130 -0.2213426 1167 0.4387040 1.1307079 1168 0.2070020 0.3909146 1169 0.0794410 -1.1327124 1170Si S 1171 254902.4094320 0.0000020 1172 38190.3609890 0.0000160 1173 8690.0821420 0.0000790 1174 2462.0232720 0.0003513 1175 804.8076070 0.0010786 1176 291.3027540 0.0033687 1177 113.6010740 0.0050576 1178 46.7504420 0.0066185 1179 19.8201870 -0.0128561 1180 7.7080730 0.0309964 1181 3.3400320 -0.0215194 1182 1.4020130 -0.0960103 1183 0.4387040 1.0151452 1184 0.2070020 -0.6085737 1185 0.0794410 0.8201315 1186Si P 1187 481.5045510 0.0019603 1188 113.9010770 0.0156935 1189 36.2303420 0.0729137 1190 13.3401260 0.2180918 1191 5.2520500 0.3988764 1192 2.1200200 0.4064615 1193 0.8561080 0.1218293 1194 0.2528020 -0.0805362 1195 0.0788910 -0.0714433 1196Si P 1197 481.5045510 0.0003920 1198 113.9010770 0.0030169 1199 36.2303420 0.0143728 1200 13.3401260 0.0396633 1201 5.2520500 0.0769301 1202 2.1200200 0.0525011 1203 0.8561080 0.1106912 1204 0.2528020 0.5294476 1205 0.0788910 0.4565482 1206Si P 1207 481.5045510 0.0000782 1208 113.9010770 -0.0003216 1209 36.2303420 0.0032647 1210 13.3401260 -0.0104920 1211 5.2520500 0.0322830 1212 2.1200200 -0.1336925 1213 0.8561080 0.3023544 1214 0.2528020 0.9563747 1215 0.0788910 -1.1716454 1216Si P 1217 481.5045510 0.0000282 1218 113.9010770 0.0042300 1219 36.2303420 -0.0006877 1220 13.3401260 0.0829324 1221 5.2520500 -0.0684837 1222 2.1200200 0.5582435 1223 0.8561080 -1.6019662 1224 0.2528020 0.4090548 1225 0.0788910 -0.1458371 1226Si D 1227 0.4810050 0.4647363 1228 0.1590020 0.6494649 1229Si D 1230 0.4810050 -1.2372017 1231 0.1590020 0.8853019 1232Si F 1233 0.3360030 1.0000000 1234end 1235basis "P_ano-vt-tz" 1236#basis SET: (75s,36p,4d,1f) -> [5s,4p,2d,1f] 1237P S 1238 312400.7105760 0.0000217 1239 46800.1064500 0.0001685 1240 10650.0242240 0.0008846 1241 3018.0068650 0.0036910 1242 986.8022450 0.0130273 1243 357.4008130 0.0390965 1244 139.6003180 0.0972821 1245 57.6301310 0.1825107 1246 24.6000560 0.2076875 1247 10.1200230 -0.0215648 1248 4.2830100 -0.4734871 1249 1.8050040 -0.5937137 1250 0.6158010 0.0222296 1251 0.2782010 0.5650304 1252 0.1055000 0.3034930 1253P S 1254 312400.7105760 0.0000366 1255 46800.1064500 0.0002846 1256 10650.0242240 0.0014921 1257 3018.0068650 0.0062187 1258 986.8022450 0.0217791 1259 357.4008130 0.0644276 1260 139.6003180 0.1538404 1261 57.6301310 0.2643927 1262 24.6000560 0.2492924 1263 10.1200230 0.0198828 1264 4.2830100 -0.2283322 1265 1.8050040 -0.1273623 1266 0.6158010 -0.0800326 1267 0.2782010 -0.4074880 1268 0.1055000 -0.2276836 1269P S 1270 312400.7105760 0.0000426 1271 46800.1064500 0.0003308 1272 10650.0242240 0.0017330 1273 3018.0068650 0.0072110 1274 986.8022450 0.0251027 1275 357.4008130 0.0732101 1276 139.6003180 0.1683739 1277 57.6301310 0.2627723 1278 24.6000560 0.1915999 1279 10.1200230 0.0753173 1280 4.2830100 0.2142316 1281 1.8050040 0.1814674 1282 0.6158010 0.0408448 1283 0.2782010 0.1386956 1284 0.1055000 0.0796583 1285P S 1286 312400.7105760 0.0000023 1287 46800.1064500 0.0000175 1288 10650.0242240 0.0000965 1289 3018.0068650 0.0003685 1290 986.8022450 0.0013904 1291 357.4008130 0.0033024 1292 139.6003180 0.0080267 1293 57.6301310 0.0019914 1294 24.6000560 0.0002428 1295 10.1200230 -0.0139170 1296 4.2830100 0.1352361 1297 1.8050040 -0.2026511 1298 0.6158010 0.8001792 1299 0.2782010 0.6410683 1300 0.1055000 -1.4429942 1301P S 1302 312400.7105760 0.0000027 1303 46800.1064500 0.0000207 1304 10650.0242240 0.0001086 1305 3018.0068650 0.0004468 1306 986.8022450 0.0015296 1307 357.4008130 0.0041739 1308 139.6003180 0.0082038 1309 57.6301310 0.0060576 1310 24.6000560 -0.0086109 1311 10.1200230 0.0103096 1312 4.2830100 0.0606661 1313 1.8050040 -0.2105498 1314 0.6158010 1.2381363 1315 0.2782010 -0.4900169 1316 0.1055000 0.5041028 1317P P 1318 504.9011480 0.0023957 1319 119.4002720 0.0190257 1320 37.9600860 0.0872343 1321 13.9500320 0.2519577 1322 5.4570120 0.4359018 1323 2.1770050 0.3838385 1324 0.8010020 0.0238962 1325 0.2877010 -0.1873543 1326 0.0971400 -0.1258489 1327P P 1328 504.9011480 0.0008283 1329 119.4002720 0.0065165 1330 37.9600860 0.0297366 1331 13.9500320 0.0834519 1332 5.4570120 0.1429467 1333 2.1770050 0.1144653 1334 0.8010020 0.1733906 1335 0.2877010 0.4860139 1336 0.0971400 0.3423142 1337P P 1338 504.9011480 0.0000740 1339 119.4002720 -0.0002514 1340 37.9600860 0.0027509 1341 13.9500320 -0.0106650 1342 5.4570120 0.0238466 1343 2.1770050 -0.1264069 1344 0.8010020 0.5727102 1345 0.2877010 0.6054524 1346 0.0971400 -1.1150301 1347P P 1348 504.9011480 0.0003205 1349 119.4002720 0.0037276 1350 37.9600860 0.0121362 1351 13.9500320 0.0649094 1352 5.4570120 0.0581596 1353 2.1770050 0.2265725 1354 0.8010020 -1.5727970 1355 0.2877010 0.7706039 1356 0.0971400 -0.4144338 1357P D 1358 0.6520010 0.4662301 1359 0.2160000 0.6477118 1360P D 1361 0.6520010 -1.2378365 1362 0.2160000 0.8910084 1363P F 1364 0.4520010 1.0000000 1365end 1366basis "S_ano-vt-tz" 1367#basis SET: (75s,36p,4d,1f) -> [5s,4p,2d,1f] 1368S S 1369 374099.8420430 0.0000202 1370 56049.9763340 0.0001568 1371 12759.9946120 0.0008244 1372 3614.9984740 0.0034378 1373 1182.9995010 0.0121562 1374 428.7998190 0.0365926 1375 167.7999290 0.0920977 1376 69.4699710 0.1761518 1377 29.8399870 0.2127862 1378 12.7199950 0.0039846 1379 5.2439980 -0.4697524 1380 2.2189990 -0.6293216 1381 0.7767000 0.0280025 1382 0.3490000 0.5772239 1383 0.1322000 0.2994714 1384S S 1385 374099.8420430 0.0000346 1386 56049.9763340 0.0002690 1387 12759.9946120 0.0014112 1388 3614.9984740 0.0058819 1389 1182.9995010 0.0206211 1390 428.7998190 0.0612348 1391 167.7999290 0.1476613 1392 69.4699710 0.2593366 1393 29.8399870 0.2579855 1394 12.7199950 0.0398329 1395 5.2439980 -0.2191854 1396 2.2189990 -0.1320823 1397 0.7767000 -0.0916527 1398 0.3490000 -0.4062887 1399 0.1322000 -0.2198816 1400S S 1401 374099.8420430 0.0000400 1402 56049.9763340 0.0003101 1403 12759.9946120 0.0016255 1404 3614.9984740 0.0067675 1405 1182.9995010 0.0235728 1406 428.7998190 0.0691082 1407 167.7999290 0.1605403 1408 69.4699710 0.2579955 1409 29.8399870 0.1995049 1410 12.7199950 0.0754323 1411 5.2439980 0.2074188 1412 2.2189990 0.1846021 1413 0.7767000 0.0473778 1414 0.3490000 0.1429776 1415 0.1322000 0.0799025 1416S S 1417 374099.8420430 0.0000025 1418 56049.9763340 0.0000185 1419 12759.9946120 0.0001036 1420 3614.9984740 0.0003886 1421 1182.9995010 0.0015043 1422 428.7998190 0.0034815 1423 167.7999290 0.0090574 1424 69.4699710 0.0021330 1425 29.8399870 0.0030918 1426 12.7199950 -0.0229692 1427 5.2439980 0.1621540 1428 2.2189990 -0.2392225 1429 0.7767000 0.8949823 1430 0.3490000 0.5436989 1431 0.1322000 -1.3864324 1432S S 1433 374099.8420430 0.0000024 1434 56049.9763340 0.0000185 1435 12759.9946120 0.0000971 1436 3614.9984740 0.0003988 1437 1182.9995010 0.0013692 1438 428.7998190 0.0037481 1439 167.7999290 0.0074944 1440 69.4699710 0.0058862 1441 29.8399870 -0.0074592 1442 12.7199950 0.0039076 1443 5.2439980 0.0533545 1444 2.2189990 -0.2124683 1445 0.7767000 1.2314145 1446 0.3490000 -0.5676685 1447 0.1322000 0.6151870 1448S P 1449 574.3997570 0.0023785 1450 135.7999430 0.0189375 1451 43.1899820 0.0872506 1452 15.8699930 0.2519628 1453 6.2079970 0.4327845 1454 2.4829990 0.3526458 1455 0.8688000 -0.0738941 1456 0.3229000 -0.3133303 1457 0.1098000 -0.1898116 1458S P 1459 574.3997570 0.0012468 1460 135.7999430 0.0099111 1461 43.1899820 0.0451359 1462 15.8699930 0.1284945 1463 6.2079970 0.2144064 1464 2.4829990 0.1773691 1465 0.8688000 0.2096035 1466 0.3229000 0.4066477 1467 0.1098000 0.2578418 1468S P 1469 574.3997570 0.0000322 1470 135.7999430 -0.0003986 1471 43.1899820 0.0010031 1472 15.8699930 -0.0124510 1473 6.2079970 0.0112355 1474 2.4829990 -0.0972455 1475 0.8688000 0.6262685 1476 0.3229000 0.4148254 1477 0.1098000 -1.0997362 1478S P 1479 574.3997570 0.0005052 1480 135.7999430 0.0041762 1481 43.1899820 0.0200823 1482 15.8699930 0.0678160 1483 6.2079970 0.1223918 1484 2.4829990 0.0957820 1485 0.8688000 -1.6171342 1486 0.3229000 1.0429882 1487 0.1098000 -0.5354625 1488S D 1489 0.8190000 0.4766511 1490 0.2690000 0.6395572 1491S D 1492 0.8190000 -1.2252606 1493 0.2690000 0.9131659 1494S F 1495 0.5570000 1.0000000 1496end 1497basis "Cl_ano-vt-tz" 1498#basis SET: (75s,36p,4d,1f) -> [5s,4p,2d,1f] 1499Cl S 1500 456098.2745960 0.0000182 1501 68329.7415110 0.0001413 1502 15549.9411750 0.0007429 1503 4404.9833360 0.0031023 1504 1438.9945560 0.0110450 1505 520.3980310 0.0335390 1506 203.0992320 0.0860642 1507 83.9596820 0.1685240 1508 36.1998630 0.2159441 1509 15.8299400 0.0297810 1510 6.3339760 -0.4575867 1511 2.6939900 -0.6594494 1512 0.9767960 0.0203999 1513 0.4312980 0.5893728 1514 0.1624990 0.3055820 1515Cl S 1516 456098.2745960 0.0000316 1517 68329.7415110 0.0002458 1518 15549.9411750 0.0012900 1519 4404.9833360 0.0053875 1520 1438.9945560 0.0190056 1521 520.3980310 0.0570128 1522 203.0992320 0.1401014 1523 83.9596820 0.2530519 1524 36.1998630 0.2666148 1525 15.8299400 0.0612984 1526 6.3339760 -0.2119995 1527 2.6939900 -0.1415484 1528 0.9767960 -0.0955005 1529 0.4312980 -0.4037521 1530 0.1624990 -0.2182249 1531Cl S 1532 456098.2745960 0.0000363 1533 68329.7415110 0.0002824 1534 15549.9411750 0.0014798 1535 4404.9833360 0.0061772 1536 1438.9945560 0.0216444 1537 520.3980310 0.0641945 1538 203.0992320 0.1520536 1539 83.9596820 0.2531195 1540 36.1998630 0.2089370 1541 15.8299400 0.0790747 1542 6.3339760 0.2004485 1543 2.6939900 0.1890279 1544 0.9767960 0.0512451 1545 0.4312980 0.1442851 1546 0.1624990 0.0807136 1547Cl S 1548 456098.2745960 0.0000024 1549 68329.7415110 0.0000184 1550 15549.9411750 0.0001044 1551 4404.9833360 0.0003855 1552 1438.9945560 0.0015369 1553 520.3980310 0.0034984 1554 203.0992320 0.0097324 1555 83.9596820 0.0022261 1556 36.1998630 0.0056890 1557 15.8299400 -0.0314416 1558 6.3339760 0.1855469 1559 2.6939900 -0.2695296 1560 0.9767960 0.9470556 1561 0.4312980 0.5027606 1562 0.1624990 -1.3420657 1563Cl S 1564 456098.2745960 0.0000022 1565 68329.7415110 0.0000163 1566 15549.9411750 0.0000859 1567 4404.9833360 0.0003499 1568 1438.9945560 0.0012276 1569 520.3980310 0.0033313 1570 203.0992320 0.0070365 1571 83.9596820 0.0053384 1572 36.1998630 -0.0056304 1573 15.8299400 -0.0034088 1574 6.3339760 0.0568971 1575 2.6939900 -0.2272461 1576 0.9767960 1.2249091 1577 0.4312980 -0.6104322 1578 0.1624990 0.6893338 1579Cl P 1580 663.2974910 0.0020622 1581 156.7994070 0.0164738 1582 49.9798110 0.0764331 1583 18.4199300 0.2223107 1584 7.2399730 0.3863090 1585 2.9219890 0.3011064 1586 1.0219960 -0.1654185 1587 0.3817990 -0.4327047 1588 0.1301000 -0.2535545 1589Cl P 1590 663.2974910 0.0015977 1591 156.7994070 0.0127727 1592 49.9798110 0.0584163 1593 18.4199300 0.1680810 1594 7.2399730 0.2815787 1595 2.9219890 0.2324564 1596 1.0219960 0.2001717 1597 0.3817990 0.3194189 1598 0.1301000 0.1951818 1599Cl P 1600 663.2974910 0.0000225 1601 156.7994070 0.0008091 1602 49.9798110 0.0012172 1603 18.4199300 0.0189952 1604 7.2399730 0.0021082 1605 2.9219890 0.0937183 1606 1.0219960 -0.7485211 1607 0.3817990 -0.2328947 1608 0.1301000 1.0173618 1609Cl P 1610 663.2974910 0.0007018 1611 156.7994070 0.0048804 1612 49.9798110 0.0283561 1613 18.4199300 0.0761980 1614 7.2399730 0.1858305 1615 2.9219890 -0.0125561 1616 1.0219960 -1.5564369 1617 0.3817990 1.2943308 1618 0.1301000 -0.8495346 1619Cl D 1620 1.0459960 0.4620764 1621 0.3439990 0.6527886 1622Cl D 1623 1.0459960 1.2352105 1624 0.3439990 -0.8743438 1625Cl F 1626 0.7059970 1.0000000 1627end 1628basis "Ar_ano-vt-tz" 1629#basis SET: (75s,36p,4d,1f) -> [5s,4p,2d,1f] 1630Ar S 1631 545003.8765520 0.0000167 1632 81640.5807000 0.0001298 1633 18580.1321580 0.0006831 1634 5261.0374210 0.0028548 1635 1717.0122130 0.0102141 1636 619.9044090 0.0312120 1637 241.6017180 0.0812411 1638 99.7907100 0.1622295 1639 43.1503070 0.2174784 1640 19.1401360 0.0502510 1641 7.4880530 -0.4462700 1642 3.2050230 -0.6822738 1643 1.1960090 0.0144572 1644 0.5204040 0.5973993 1645 0.1954010 0.3121119 1646Ar S 1647 545003.8765520 0.0000294 1648 81640.5807000 0.0002282 1649 18580.1321580 0.0011987 1650 5261.0374210 0.0050125 1651 1717.0122130 0.0177635 1652 619.9044090 0.0536813 1653 241.6017180 0.1337902 1654 99.7907100 0.2473299 1655 43.1503070 0.2727954 1656 19.1401360 0.0795754 1657 7.4880530 -0.2049550 1658 3.2050230 -0.1481968 1659 1.1960090 -0.0994040 1660 0.5204040 -0.4006847 1661 0.1954010 -0.2177478 1662Ar S 1663 545003.8765520 0.0000336 1664 81640.5807000 0.0002608 1665 18580.1321580 0.0013675 1666 5261.0374210 0.0057177 1667 1717.0122130 0.0201218 1668 619.9044090 0.0601831 1669 241.6017180 0.1446673 1670 99.7907100 0.2477778 1671 43.1503070 0.2158897 1672 19.1401360 0.0841289 1673 7.4880530 0.1951033 1674 3.2050230 0.1921891 1675 1.1960090 0.0548645 1676 0.5204040 0.1450939 1677 0.1954010 0.0816764 1678Ar S 1679 545003.8765520 0.0000024 1680 81640.5807000 0.0000178 1681 18580.1321580 0.0001026 1682 5261.0374210 0.0003740 1683 1717.0122130 0.0015288 1684 619.9044090 0.0034245 1685 241.6017180 0.0100544 1686 99.7907100 0.0022306 1687 43.1503070 0.0078711 1688 19.1401360 -0.0379061 1689 7.4880530 0.2021161 1690 3.2050230 -0.2901547 1691 1.1960090 0.9692567 1692 0.5204040 0.4844407 1693 0.1954010 -1.3209783 1694Ar S 1695 545003.8765520 0.0000019 1696 81640.5807000 0.0000146 1697 18580.1321580 0.0000782 1698 5261.0374210 0.0003155 1699 1717.0122130 0.0011270 1700 619.9044090 0.0030290 1701 241.6017180 0.0066826 1702 99.7907100 0.0048900 1703 43.1503070 -0.0042735 1704 19.1401360 -0.0083639 1705 7.4880530 0.0581904 1706 3.2050230 -0.2405221 1707 1.1960090 1.2343700 1708 0.5204040 -0.6435414 1709 0.1954010 0.7317211 1710Ar P 1711 761.8054190 0.0017230 1712 180.2012820 0.0138110 1713 57.5004090 0.0647035 1714 21.2401510 0.1896770 1715 8.3880600 0.3342531 1716 3.4160240 0.2492737 1717 1.2060090 -0.2258541 1718 0.4523030 -0.4943251 1719 0.1545010 -0.2832398 1720Ar P 1721 761.8054190 0.0017769 1722 180.2012820 0.0142725 1723 57.5004090 0.0656915 1724 21.2401510 0.1905196 1725 8.3880600 0.3207622 1726 3.4160240 0.2625988 1727 1.2060090 0.1844478 1728 0.4523030 0.2585186 1729 0.1545010 0.1546820 1730Ar P 1731 761.8054190 0.0000723 1732 180.2012820 0.0011618 1733 57.5004090 0.0032994 1734 21.2401510 0.0247822 1735 8.3880600 0.0153911 1736 3.4160240 0.0865131 1737 1.2060090 -0.8351524 1738 0.4523030 -0.0998857 1739 0.1545010 0.9519808 1740Ar P 1741 761.8054190 0.0008316 1742 180.2012820 0.0052300 1743 57.5004090 0.0340305 1744 21.2401510 0.0805239 1745 8.3880600 0.2310964 1746 3.4160240 -0.1041467 1747 1.2060090 -1.4069447 1748 0.4523030 1.4029387 1749 0.1545010 -1.0835727 1750Ar D 1751 1.2540090 0.4807272 1752 0.4100030 0.6365626 1753Ar D 1754 1.2540090 -1.2191618 1755 0.4100030 0.9207016 1756Ar F 1757 0.8900060 1.0000000 1758end 1759