/usr/share/nwchem/libraries/cc-pcvdz-f12 is in nwchem-data 6.3+r1-1build1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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 | # cc-pCVDZ-F12 EMSL Basis Set Exchange Library 3/15/13 10:17 AM
# Elements References
# -------- ----------
# B C N O F Ne Al Si P S Cl Ar: J.G. Hill, S. Mazumder, and K.A. Peterson, Correlation consistent basis sets for molecular core-valence effects with explicitly correlated wave functions: the atoms B-Ne and Al-Ar, Journal of Chemical Physics 132, 054108 (2010).
# Li Be Na Mg: J. Grant Hill and Kirk A. Peterson, Correlation consistent basis sets for explicitly correlated wavefunctions: valence and core-valence basis sets for Li, Be, Na, and Mg, Physical Chemistry Chemical Physics 12, 10460 (2010).
#
basis "Li_cc-pCVDZ-F12" SPHERICAL
Li S
5988.0000000 0.0001330 -0.0000210
898.9000000 0.0010250 -0.0001610
205.9000000 0.0052720 -0.0008200
59.2400000 0.0209290 -0.0033260
19.8700000 0.0663400 -0.0105190
7.4060000 0.1657750 -0.0280970
2.9300000 0.3150380 -0.0559360
1.1890000 0.3935230 -0.0992370
0.4798000 0.1908700 -0.1121890
Li S
0.0750900 1.0000000
Li S
0.0283200 1.0000000
Li S
0.0076000 1.0000000
Li S
1.4427370 1.0000000
Li P
3.2660000 0.0086300
0.6511000 0.0475380
Li P
0.1696000 1.0000000
Li P
0.0557800 1.0000000
Li P
0.0205000 1.0000000
Li P
0.0091000 1.0000000
Li P
0.7039630 1.0000000
Li D
0.1484380 1.0000000
Li D
0.0684730 1.0000000
end
basis "Be_cc-pCVDZ-F12" SPHERICAL
Be S
6863.0000000 0.0002360 -0.0000430
1030.0000000 0.0018260 -0.0003330
234.7000000 0.0094520 -0.0017360
66.5600000 0.0379570 -0.0070120
21.6900000 0.1199650 -0.0231260
7.7340000 0.2821620 -0.0581380
2.9160000 0.4274040 -0.1145560
1.1300000 0.2662780 -0.1359080
0.1101000 -0.0072750 0.5774410
Be S
0.2577000 1.0000000
Be S
0.0440900 1.0000000
Be S
0.0147000 1.0000000
Be S
1.8689150 1.0000000
Be P
7.4360000 0.0107360
1.5770000 0.0628540
Be P
0.4352000 1.0000000
Be P
0.1438000 1.0000000
Be P
0.0499400 1.0000000
Be P
0.0093000 1.0000000
Be P
1.5776350 1.0000000
Be D
0.2992840 1.0000000
Be D
0.1250500 1.0000000
end
basis "B_cc-pCVDZ-F12" SPHERICAL
B S
5473.0000000 0.0005550 -0.0001120
820.9000000 0.0042910 -0.0008680
186.8000000 0.0219490 -0.0044840
52.8300000 0.0844410 -0.0176830
17.0800000 0.2385570 -0.0536390
5.9990000 0.4350720 -0.1190050
2.2080000 0.3419550 -0.1658240
0.2415000 -0.0095450 0.5959810
B S
0.5879000 1.0000000
B S
0.0861000 1.0000000
B S
0.0291400 1.0000000
B S
3.3216100 1.0000000
B P
12.0500000 0.0131180
2.6130000 0.0798960
B P
0.7475000 1.0000000
B P
0.2385000 1.0000000
B P
0.0769800 1.0000000
B P
0.0209600 1.0000000
B P
2.5341330 1.0000000
B D
0.8424000 1.0000000
B D
0.2434000 1.0000000
end
basis "C_cc-pCVDZ-F12" SPHERICAL
C S
8236.0000000 0.0005310 -0.0001130
1235.0000000 0.0041080 -0.0008780
280.8000000 0.0210870 -0.0045400
79.2700000 0.0818530 -0.0181330
25.5900000 0.2348170 -0.0557600
8.9970000 0.4344010 -0.1268950
3.3190000 0.3461290 -0.1703520
0.3643000 -0.0089830 0.5986840
C S
0.9059000 1.0000000
C S
0.1285000 1.0000000
C S
0.0440200 1.0000000
C S
4.9342910 1.0000000
C P
18.7100000 0.0140310
4.1330000 0.0868660
C P
1.2000000 1.0000000
C P
0.3827000 1.0000000
C P
0.1209000 1.0000000
C P
0.0356900 1.0000000
C P
3.9763260 1.0000000
C D
0.9946000 1.0000000
C D
0.2977000 1.0000000
end
basis "N_cc-pCVDZ-F12" SPHERICAL
N S
11420.0000000 0.0005230 -0.0001150
1712.0000000 0.0040450 -0.0008950
389.3000000 0.0207750 -0.0046240
110.0000000 0.0807270 -0.0185280
35.5700000 0.2330740 -0.0573390
12.5400000 0.4335010 -0.1320760
4.6440000 0.3474720 -0.1725100
0.5118000 -0.0085080 0.5999440
N S
1.2930000 1.0000000
N S
0.1787000 1.0000000
N S
0.0576000 1.0000000
N S
6.8245490 1.0000000
N P
26.6300000 0.0146700
5.9480000 0.0917640
N P
1.7420000 1.0000000
N P
0.5550000 1.0000000
N P
0.1725000 1.0000000
N P
0.0491000 1.0000000
N P
5.6884160 1.0000000
N D
1.3379000 1.0000000
N D
0.4237000 1.0000000
end
basis "O_cc-pCVDZ-F12" SPHERICAL
O S
15330.0000000 0.0005080 -0.0001150
2299.0000000 0.0039290 -0.0008950
522.4000000 0.0202430 -0.0046360
147.3000000 0.0791810 -0.0187240
47.5500000 0.2306870 -0.0584630
16.7600000 0.4331180 -0.1364630
6.2070000 0.3502600 -0.1757400
0.6882000 -0.0081540 0.6034180
O S
1.7520000 1.0000000
O S
0.2384000 1.0000000
O S
0.0737600 1.0000000
O S
9.0418890 1.0000000
O P
34.4600000 0.0159280
7.7490000 0.0997400
O P
2.2800000 1.0000000
O P
0.7156000 1.0000000
O P
0.2140000 1.0000000
O P
0.0597400 1.0000000
O P
7.3975620 1.0000000
O D
1.4712000 1.0000000
O D
0.4799000 1.0000000
end
basis "F_cc-pCVDZ-F12" SPHERICAL
F S
19500.0000000 0.0005070 -0.0001170
2923.0000000 0.0039230 -0.0009120
664.5000000 0.0202000 -0.0047170
187.5000000 0.0790100 -0.0190860
60.6200000 0.2304390 -0.0596550
21.4200000 0.4328720 -0.1400100
7.9500000 0.3499640 -0.1767820
0.8815000 -0.0078920 0.6050430
F S
2.2570000 1.0000000
F S
0.3041000 1.0000000
F S
0.0915800 1.0000000
F S
11.6093770 1.0000000
F P
43.8800000 0.0166650
9.9260000 0.1044720
F P
2.9300000 1.0000000
F P
0.9132000 1.0000000
F P
0.2672000 1.0000000
F P
0.0736100 1.0000000
F P
9.4491600 1.0000000
F D
1.9183000 1.0000000
F D
0.5846000 1.0000000
end
basis "Ne_cc-pCVDZ-F12" SPHERICAL
Ne S
24350.0000000 0.0005020 -0.0001180
3650.0000000 0.0038810 -0.0009150
829.6000000 0.0199970 -0.0047370
234.0000000 0.0784180 -0.0192330
75.6100000 0.2296760 -0.0603690
26.7300000 0.4327220 -0.1425080
9.9270000 0.3506420 -0.1777100
1.1020000 -0.0076450 0.6058360
Ne S
2.8360000 1.0000000
Ne S
0.3782000 1.0000000
Ne S
0.1133000 1.0000000
Ne S
14.6768550 1.0000000
Ne P
54.7000000 0.0171510
12.4300000 0.1076560
Ne P
3.6790000 1.0000000
Ne P
1.1430000 1.0000000
Ne P
0.3300000 1.0000000
Ne P
0.0917500 1.0000000
Ne P
11.8102700 1.0000000
Ne D
2.8298000 1.0000000
Ne D
0.7471000 1.0000000
end
basis "Na_cc-pCVDZ-F12" SPHERICAL
Na S
423000.0000000 0.0000181 -0.0000044 0.0000007
63340.0000000 0.0001404 -0.0000343 0.0000052
14410.0000000 0.0007384 -0.0001801 0.0000271
4077.0000000 0.0031118 -0.0007639 0.0001146
1328.0000000 0.0112081 -0.0027525 0.0004151
478.6000000 0.0352828 -0.0088602 0.0013298
186.2000000 0.0959897 -0.0247939 0.0037560
76.9200000 0.2137350 -0.0605995 0.0091403
33.3200000 0.3486880 -0.1164460 0.0179859
15.0000000 0.3245660 -0.1624370 0.0251477
6.8690000 0.1126330 -0.0438891 0.0076352
2.6830000 0.0070680 0.3379170 -0.0614589
1.1090000 0.0005980 0.5613470 -0.1157210
0.0601500 -0.0000053 0.0040675 0.6264060
Na S
0.4540000 1.0000000
Na S
0.0238200 1.0000000
Na S
0.0067000 1.0000000
Na S
3.7987460 1.0000000
Na P
243.3000000 0.0022439 -0.0002224
57.3900000 0.0173997 -0.0017428
18.1000000 0.0774125 -0.0077546
6.5750000 0.2191020 -0.0225187
2.5210000 0.3785220 -0.0384330
0.9607000 0.3949020 -0.0450177
0.3512000 0.1604240 -0.0192132
0.0982700 0.0023331 0.1826970
0.0373400 0.0019954 0.5578970
Na P
0.0150000 1.0000000
Na P
0.0060000 1.0000000
Na P
3.3342860 1.0000000
Na P
0.0883620 1.0000000
Na P
0.7447950 1.0000000
Na D
0.8963110 1.0000000
Na D
0.1107450 1.0000000
Na D
0.0561760 1.0000000
Na D
4.7157020 1.0000000
end
basis "Mg_cc-pCVDZ-F12" SPHERICAL
Mg S
164900.0000000 0.0000730 -0.0000184 0.0000036
24710.0000000 0.0005667 -0.0001435 0.0000276
5628.0000000 0.0029627 -0.0007487 0.0001444
1596.0000000 0.0122962 -0.0031441 0.0006057
521.0000000 0.0427324 -0.0110481 0.0021353
188.0000000 0.1230130 -0.0336058 0.0064993
73.0100000 0.2748320 -0.0825946 0.0161446
29.9000000 0.4018180 -0.1593140 0.0315766
12.5400000 0.2646970 -0.1528880 0.0316374
4.3060000 0.0332612 0.1908490 -0.0439140
1.8260000 -0.0044133 0.5799640 -0.1510930
0.7417000 0.0020602 0.3720290 -0.2176680
0.0761200 0.0007082 -0.0119344 0.5472450
Mg S
0.1457000 1.0000000
Mg S
0.0331000 1.0000000
Mg S
0.0120000 1.0000000
Mg S
3.7215680 1.0000000
Mg P
316.9000000 0.0020753 -0.0003297
74.8600000 0.0162869 -0.0025875
23.7200000 0.0738697 -0.0119120
8.6690000 0.2142970 -0.0350227
3.3630000 0.3821540 -0.0639968
1.3100000 0.3981780 -0.0704436
0.4911000 0.1528780 -0.0375836
0.2364000 -0.0043754 0.1770430
0.0873300 0.0062958 0.5667070
Mg P
0.0323700 1.0000000
Mg P
0.0090000 1.0000000
Mg P
3.1820390 1.0000000
Mg P
0.1718480 1.0000000
Mg P
0.9279620 1.0000000
Mg D
1.4313080 1.0000000
Mg D
0.1994320 1.0000000
Mg D
0.0909370 1.0000000
Mg D
6.5716500 1.0000000
end
basis "Al_cc-pCVDZ-F12" SPHERICAL
Al S
205500.0000000 0.0000679 -0.0000176 0.0000041
30780.0000000 0.0005271 -0.0001372 0.0000317
7006.0000000 0.0027620 -0.0007189 0.0001661
1985.0000000 0.0114728 -0.0030115 0.0006950
649.1000000 0.0398188 -0.0106014 0.0024551
235.0000000 0.1150400 -0.0321345 0.0074460
91.6200000 0.2608870 -0.0803156 0.0188253
37.6700000 0.3963860 -0.1567940 0.0372772
15.9100000 0.2845970 -0.1683760 0.0419496
5.8500000 0.0444583 0.1268790 -0.0354375
2.5420000 -0.0048984 0.5614940 -0.1751320
1.0570000 0.0026125 0.4366130 -0.2762030
0.1455000 0.0007221 -0.0114563 0.6528090
Al S
0.2931000 1.0000000
Al S
0.0565000 1.0000000
Al S
0.0221000 1.0000000
Al S
4.8541450 1.0000000
Al P
444.4000000 0.0016279 -0.0002863
105.1000000 0.0130687 -0.0024231
33.4700000 0.0612341 -0.0108658
12.3300000 0.1878700 -0.0364307
4.8690000 0.3604520 -0.0641074
1.9610000 0.4084540 -0.0972239
0.7834000 0.1886400 0.0147437
0.1888000 0.0097651 0.5034480
Al P
0.0555700 1.0000000
Al P
0.0146000 1.0000000
Al P
3.1681000 1.0000000
Al P
0.3431000 1.0000000
Al P
1.1239370 1.0000000
Al D
2.0108000 1.0000000
Al D
0.4092000 1.0000000
Al D
0.1363000 1.0000000
Al D
8.5571120 1.0000000
end
basis "Si_cc-pCVDZ-F12" SPHERICAL
Si S
254900.0000000 0.0000625 -0.0000166 0.0000043
38190.0000000 0.0004856 -0.0001293 0.0000331
8690.0000000 0.0025452 -0.0006788 0.0001740
2462.0000000 0.0105866 -0.0028412 0.0007276
804.8000000 0.0368787 -0.0100551 0.0025833
291.3000000 0.1074790 -0.0305774 0.0078635
113.6000000 0.2479360 -0.0777256 0.0202155
46.7500000 0.3909270 -0.1542360 0.0407320
19.8200000 0.3020260 -0.1803680 0.0499358
7.7080000 0.0559236 0.0798218 -0.0249396
3.3400000 -0.0040241 0.5474410 -0.1903500
1.4020000 0.0025803 0.4801190 -0.3183500
0.2070000 0.0006079 -0.0106996 0.6811800
Si S
0.4387000 1.0000000
Si S
0.0794400 1.0000000
Si S
0.0330000 1.0000000
Si S
5.9527220 1.0000000
Si P
481.5000000 0.0019204 -0.0004052
113.9000000 0.0153552 -0.0033590
36.2300000 0.0713991 -0.0152860
13.3400000 0.2130520 -0.0489218
5.2520000 0.3903540 -0.0855008
2.1200000 0.3937210 -0.1121370
0.8561000 0.1325650 0.0618274
0.2528000 0.0039563 0.5519190
Si P
0.0788900 1.0000000
Si P
0.0237000 1.0000000
Si P
3.3257000 1.0000000
Si P
0.4434000 1.0000000
Si P
1.3021650 1.0000000
Si D
2.7772000 1.0000000
Si D
0.5537000 1.0000000
Si D
0.1821000 1.0000000
Si D
11.1563750 1.0000000
end
basis "P_cc-pCVDZ-F12" SPHERICAL
P S
312400.0000000 0.0000577 -0.0000157 0.0000043
46800.0000000 0.0004483 -0.0001217 0.0000334
10650.0000000 0.0023494 -0.0006397 0.0001759
3018.0000000 0.0097827 -0.0026743 0.0007343
986.8000000 0.0341467 -0.0094983 0.0026178
357.4000000 0.1002040 -0.0289349 0.0079785
139.6000000 0.2343720 -0.0745121 0.0207940
57.6300000 0.3824340 -0.1499380 0.0424446
24.6000000 0.3180880 -0.1894670 0.0563436
10.1200000 0.0707788 0.0363270 -0.0127358
4.2830000 -0.0018180 0.5288160 -0.1964950
1.8050000 0.0021618 0.5191150 -0.3535550
0.2782000 0.0004323 -0.0092570 0.7009120
P S
0.6158000 1.0000000
P S
0.1055000 1.0000000
P S
0.0409000 1.0000000
P S
7.5316900 1.0000000
P P
504.9000000 0.0023373 -0.0005552
119.4000000 0.0185410 -0.0044591
37.9600000 0.0849693 -0.0206350
13.9500000 0.2446150 -0.0617694
5.4570000 0.4227660 -0.1089240
2.1770000 0.3684390 -0.1055990
0.8010000 0.0772734 0.1534830
0.2877000 -0.0037901 0.5769810
P P
0.0971400 1.0000000
P P
0.0307000 1.0000000
P P
3.9543000 1.0000000
P P
0.5515000 1.0000000
P P
1.4168640 1.0000000
P D
3.6109000 1.0000000
P D
0.6827000 1.0000000
P D
0.2205000 1.0000000
P D
14.1225890 1.0000000
end
basis "S_cc-pCVDZ-F12" SPHERICAL
S S
374100.0000000 0.0000542 -0.0000150 0.0000044
56050.0000000 0.0004209 -0.0001162 0.0000337
12760.0000000 0.0022070 -0.0006116 0.0001777
3615.0000000 0.0091926 -0.0025537 0.0007411
1183.0000000 0.0321123 -0.0090871 0.0026459
428.8000000 0.0946683 -0.0277045 0.0080749
167.8000000 0.2236300 -0.0720020 0.0212276
69.4700000 0.3743930 -0.1464390 0.0438323
29.8400000 0.3291080 -0.1951500 0.0612716
12.7200000 0.0847038 0.0081919 -0.0036151
5.2440000 0.0004409 0.5166010 -0.2045100
2.2190000 0.0016483 0.5421780 -0.3818710
0.3490000 0.0003013 -0.0091807 0.7141470
S S
0.7767000 1.0000000
S S
0.1322000 1.0000000
S S
0.0497000 1.0000000
S S
8.7958640 1.0000000
S P
574.4000000 0.0024226 -0.0006201
135.8000000 0.0192796 -0.0049388
43.1900000 0.0885401 -0.0232647
15.8700000 0.2546540 -0.0685195
6.2080000 0.4339840 -0.1238960
2.4830000 0.3549530 -0.0969499
0.8688000 0.0618941 0.2282150
0.3229000 -0.0050298 0.5693940
S P
0.1098000 1.0000000
S P
0.0351000 1.0000000
S P
4.3429000 1.0000000
S P
0.6433000 1.0000000
S P
1.7263910 1.0000000
S D
4.4754000 1.0000000
S D
0.7881000 1.0000000
S D
0.2532000 1.0000000
S D
17.1611680 1.0000000
end
basis "Cl_cc-pCVDZ-F12" SPHERICAL
Cl S
456100.0000000 0.0000493 -0.0000138 0.0000042
68330.0000000 0.0003830 -0.0001073 0.0000324
15550.0000000 0.0020085 -0.0005651 0.0001711
4405.0000000 0.0083856 -0.0023614 0.0007142
1439.0000000 0.0294703 -0.0084589 0.0025671
520.4000000 0.0878325 -0.0259638 0.0078855
203.1000000 0.2114730 -0.0686362 0.0210867
83.9600000 0.3653640 -0.1418740 0.0442264
36.2000000 0.3408840 -0.1993190 0.0651670
15.8300000 0.1021330 -0.0195662 0.0060301
6.3340000 0.0031168 0.4997410 -0.2064950
2.6940000 0.0010575 0.5637360 -0.4058710
0.4313000 0.0001561 -0.0083509 0.7256610
Cl S
0.9768000 1.0000000
Cl S
0.1625000 1.0000000
Cl S
0.0591000 1.0000000
Cl S
10.0387970 1.0000000
Cl P
663.3000000 0.0024045 -0.0006521
156.8000000 0.0192148 -0.0051944
49.9800000 0.0885097 -0.0246938
18.4200000 0.2560200 -0.0728167
7.2400000 0.4369270 -0.1340300
2.9220000 0.3503340 -0.0947742
1.0220000 0.0585495 0.2622890
0.3818000 -0.0045842 0.5646670
Cl P
0.1301000 1.0000000
Cl P
0.0419000 1.0000000
Cl P
4.8105000 1.0000000
Cl P
0.8030000 1.0000000
Cl P
2.2487030 1.0000000
Cl D
6.2142000 1.0000000
Cl D
0.9921000 1.0000000
Cl D
0.3064000 1.0000000
Cl D
23.2468390 1.0000000
end
basis "Ar_cc-pCVDZ-F12" SPHERICAL
Ar S
545000.0000000 0.0000456 -0.0000130 0.0000040
81640.0000000 0.0003541 -0.0001004 0.0000314
18580.0000000 0.0018580 -0.0005296 0.0001656
5261.0000000 0.0077685 -0.0022140 0.0006917
1717.0000000 0.0274232 -0.0079684 0.0024979
619.9000000 0.0823836 -0.0245803 0.0077107
241.6000000 0.2012300 -0.0657798 0.0208714
99.7900000 0.3567810 -0.1379420 0.0443965
43.1500000 0.3495630 -0.2016300 0.0680224
19.1400000 0.1182660 -0.0412834 0.0141350
7.4880000 0.0056019 0.4846800 -0.2074890
3.2050000 0.0004835 0.5792240 -0.4250450
0.5204000 0.0000292 -0.0072755 0.7336270
Ar S
1.1960000 1.0000000
Ar S
0.1954000 1.0000000
Ar S
0.0685000 1.0000000
Ar S
11.4851250 1.0000000
Ar P
761.8000000 0.0023698 -0.0006672
180.2000000 0.0190199 -0.0053272
57.5000000 0.0880807 -0.0255494
21.2400000 0.2563770 -0.0757197
8.3880000 0.4387110 -0.1411330
3.4160000 0.3475690 -0.0932768
1.2060000 0.0566740 0.2828720
0.4523000 -0.0052388 0.5624500
Ar P
0.1545000 1.0000000
Ar P
0.0487000 1.0000000
Ar P
5.4424000 1.0000000
Ar P
0.9664000 1.0000000
Ar P
3.1105410 1.0000000
Ar D
7.8669000 1.0000000
Ar D
1.1969000 1.0000000
Ar D
0.3460000 1.0000000
Ar D
29.1978250 1.0000000
end
|