/usr/share/nwchem/libraries/5zp is in nwchem-data 6.6+r27746-2.
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# Elements References
# -------- ----------
# H He Li Be B C N O F Ne Na Mg Al Si P S Cl Ar: F. E. Jorge, P. S. Sagrillo, and A. R. de Oliveira, Gaussian basis sets of 5 zeta valence quality for correlated wave functions, Chem. Phys. Lett. 432, 558 (2006).
#
basis "H_5ZP" SPHERICAL
H S
161.83169173 0.0253937
25.18637393 0.1834528
6.07863626 0.8542918
H S
1.80702847 1.0000000
H S
0.61073561 1.0000000
H S
0.22624588 1.0000000
H S
0.08936742 1.0000000
H P
4.0475100 1.0000000
H P
1.3959670 1.0000000
H P
0.5815530 1.0000000
H P
0.2306500 1.0000000
H D
3.1458880 1.0000000
H D
1.2529740 1.0000000
H D
0.4964500 1.0000000
H F
2.35689099 1.0000000
H F
0.846080495 1.0000000
H G
1.95092199 1.0000000
end
basis "He_5ZP" SPHERICAL
He S
502.89795760 0.0241033
76.98966010 0.1788896
17.98108986 0.8602233
He S
5.1666475 1.0000000
He S
1.65375887 1.0000000
He S
0.55222753 1.0000000
He S
0.18687559 1.0000000
He P
9.4309800 1.0000000
He P
3.0842310 1.0000000
He P
1.1928690 1.0000000
He P
0.4333830 1.0000000
He D
7.2485900 1.0000000
He D
2.4514720 1.0000000
He D
0.8386060 1.0000000
He F
4.95548999 1.0000000
He F
1.522464995 1.0000000
He G
3.01831999 1.0000000
end
basis "Li_5ZP" SPHERICAL
Li S
17127.93537420 0.0001547
2497.40661844 0.0012481
562.27259889 0.0065066
163.08393246 0.0257400
54.89648725 0.0886074
19.82251340 0.2744049
7.55500940 0.6861592
Li S
3.09034298 0.5677981
1.51172322 0.4550967
Li S
0.96210085 1.0000000
Li S
0.46783812 1.0000000
Li S
0.14148455 1.0000000
Li S
0.06290531 1.0000000
Li S
0.02556651 1.0000000
Li P
14.08316342 0.0149026
3.48253334 0.0857440
1.16875608 0.2770039
0.44171959 0.7304660
Li P
0.19153207 1.0000000
Li P
0.08304937 1.0000000
Li P
0.03601067 1.0000000
Li P
0.01561443 1.0000000
Li D
0.54046144 1.0000000
Li D
0.03176130 1.0000000
Li D
0.01740388 1.0000000
Li F
0.40395157 1.0000000
Li F
0.13405969 1.0000000
Li F
0.06358208 1.0000000
Li G
0.27708273 1.0000000
Li G
0.10173004 1.0000000
Li H
0.19866925 1.0000000
end
basis "Be_5ZP" SPHERICAL
Be S
35113.73237001 0.0002905
5622.06794074 0.0019874
1451.89229862 0.0084377
478.31538433 0.0288678
179.58762170 0.0867081
73.14995537 0.2443172
29.80270843 0.7047960
Be S
11.84393382 0.3632788
4.75518354 0.6702883
Be S
1.99296272 1.0000000
Be S
0.86139429 1.0000000
Be S
0.27338461 1.0000000
Be S
0.1213869 1.0000000
Be S
0.05068552 1.0000000
Be P
41.27811587 0.0082913
9.85632270 0.0605445
3.15257312 0.2447378
1.13484407 0.7796139
Be P
0.44384162 1.0000000
Be P
0.1853494 1.0000000
Be P
0.07987667 1.0000000
Be P
0.03426598 1.0000000
Be D
0.7440400 1.0000000
Be D
0.2439520 1.0000000
Be D
0.1035500 1.0000000
Be D
0.0479410 1.0000000
Be F
0.6925400 1.0000000
Be F
0.2629800 1.0000000
Be F
0.1082600 1.0000000
Be G
0.6025300 1.0000000
Be G
0.2182350 1.0000000
Be H
0.4356300 1.0000000
end
basis "B_5ZP" SPHERICAL
B S
44619.05176262 0.0002914
7125.36513863 0.0020149
1803.68084943 0.0089058
580.54067302 0.0309781
218.63404386 0.0897983
90.26440232 0.2481101
37.00096560 0.6967123
B S
14.87611660 0.3884779
6.08536865 0.6447955
B S
2.62250304 1.0000000
B S
1.16409076 1.0000000
B S
0.41377316 1.0000000
B S
0.17432441 1.0000000
B S
0.07100882 1.0000000
B P
62.90112139 0.0075673
15.00757832 0.0561691
4.77180021 0.2399848
1.72167995 0.7858024
B P
0.68744868 1.0000000
B P
0.30135719 1.0000000
B P
0.1306912 1.0000000
B P
0.05297458 1.0000000
B D
1.26362333 1.0000000
B D
0.66793666 1.0000000
B D
0.32735833 1.0000000
B D
0.129913165 1.0000000
B F
1.2034800 1.0000000
B F
0.6460610 1.0000000
B F
0.2711605 1.0000000
B G
1.0506710 1.0000000
B G
0.4471355 1.0000000
B H
0.7852510 1.0000000
end
basis "C_5ZP" SPHERICAL
C S
99843.71445783 0.0002042
15525.73168036 0.0014799
3752.53855341 0.0071086
1129.78811447 0.0274504
398.78120693 0.0858865
158.70655076 0.2428513
63.80819609 0.7102296
C S
25.11653126 0.3708772
10.06978388 0.6631117
C S
4.27260269 1.0000000
C S
1.88087317 1.0000000
C S
0.65168676 1.0000000
C S
0.26742884 1.0000000
C S
0.10478261 1.0000000
C P
138.77776536 0.0202006
32.24111126 0.1714572
9.86718977 0.8732019
C P
3.39670221 0.2887295
1.27751119 0.7650397
C P
0.54017269 1.0000000
C P
0.23362742 1.0000000
C P
0.08918995 1.0000000
C D
2.24968466 1.0000000
C D
0.99486743 1.0000000
C D
0.47715076 1.0000000
C D
0.19192538 1.0000000
C F
1.9921100 1.0000000
C F
0.9836410 1.0000000
C F
0.4036255 1.0000000
C G
1.6416600 1.0000000
C G
0.6730450 1.0000000
C H
1.2192040 1.0000000
end
basis "N_5ZP" SPHERICAL
N S
110875.80119773 0.0002114
16977.18007784 0.0015784
4009.01332708 0.0078066
1196.71297512 0.0299096
425.73556650 0.0915728
171.09715795 0.2521997
70.23825224 0.6936713
N S
28.50295390 0.3929267
11.76144286 0.6398963
N S
5.16118881 1.0000000
N S
2.45028139 1.0000000
N S
0.84876697 1.0000000
N S
0.35071346 1.0000000
N S
0.13727583 1.0000000
N P
138.41479298 0.0070338
33.38853280 0.0532736
10.77157634 0.2391197
3.94856076 0.7861570
N P
1.57723713 1.0000000
N P
0.66008314 1.0000000
N P
0.27379176 1.0000000
N P
0.10722001 1.0000000
N D
3.3085400 1.0000000
N D
1.4325455 1.0000000
N D
0.6865240 1.0000000
N D
0.2730390 1.0000000
N F
2.8984060 1.0000000
N F
1.3508890 1.0000000
N F
0.5496045 1.0000000
N G
2.3973200 1.0000000
N G
0.9572850 1.0000000
N H
1.7448430 1.0000000
end
basis "O_5ZP" SPHERICAL
O S
156894.60157870 0.0001913
24442.81532316 0.0013963
5802.69011377 0.0069384
1708.15734565 0.0275656
588.75243511 0.0893888
228.76864439 0.2544313
92.62254497 0.6968868
O S
37.54229793 0.3925652
15.49895784 0.6402121
O S
6.84292374 1.0000000
O S
3.34692004 1.0000000
O S
1.14119722 1.0000000
O S
0.47322973 1.0000000
O S
0.18586957 1.0000000
O P
180.02397718 0.0066821
43.06011728 0.0520076
13.71477176 0.2411364
4.99384624 0.7859072
O P
2.0015185 1.0000000
O P
0.83186163 1.0000000
O P
0.33431268 1.0000000
O P
0.12503207 1.0000000
O D
5.06577134 1.0000000
O D
2.09284665 1.0000000
O D
0.94065533 1.0000000
O D
0.357049665 1.0000000
O F
4.0255100 1.0000000
O F
1.72258698 1.0000000
O F
0.66065149 1.0000000
O G
3.15809208 1.0000000
O G
1.18578004 1.0000000
O H
2.30598008 1.0000000
end
basis "F_5ZP" SPHERICAL
F S
201780.46087009 0.0001869
30898.31903683 0.0014011
7234.65566592 0.0070426
2133.14721413 0.0275348
744.39428028 0.0877227
290.13277191 0.2529832
116.64858272 0.6998403
F S
47.19151943 0.3950501
19.55314173 0.6375586
F S
8.70784239 1.0000000
F S
4.36530031 1.0000000
F S
1.47184834 1.0000000
F S
0.60999841 1.0000000
F S
0.23913194 1.0000000
F P
231.17975755 0.0064174
54.65276977 0.0514188
17.26226805 0.2430376
6.27269779 0.7849049
F P
2.51607765 1.0000000
F P
1.04352047 1.0000000
F P
0.4164553 1.0000000
F P
0.15408348 1.0000000
F D
7.02867366 1.0000000
F D
2.83350933 1.0000000
F D
1.24473986 1.0000000
F D
0.46292793 1.0000000
F F
5.2563300 1.0000000
F F
2.1856510 1.0000000
F F
0.8318480 1.0000000
F G
4.2445100 1.0000000
F G
1.5368120 1.0000000
F H
2.9700500 1.0000000
end
basis "Ne_5ZP" SPHERICAL
Ne S
296875.44742524 0.0001572
44216.60957102 0.0012337
10028.59034580 0.0064627
2886.29466253 0.0259718
989.11081384 0.0847337
377.98558880 0.2521428
149.63777863 0.7056272
Ne S
60.18439037 0.3933721
24.93539479 0.6391849
Ne S
11.1400476 1.0000000
Ne S
5.50369978 1.0000000
Ne S
1.86525737 1.0000000
Ne S
0.76856319 1.0000000
Ne S
0.2988420 1.0000000
Ne P
318.41910773 0.0059016
75.09956976 0.0483701
23.65165298 0.2366923
8.54309293 0.7924927
Ne P
3.38222767 1.0000000
Ne P
1.37489687 1.0000000
Ne P
0.53738186 1.0000000
Ne P
0.19398875 1.0000000
Ne D
9.0292000 1.0000000
Ne D
3.5896709 1.0000000
Ne D
1.5631400 1.0000000
Ne D
0.5759500 1.0000000
Ne F
6.8642400 1.0000000
Ne F
2.8212100 1.0000000
Ne F
1.0744450 1.0000000
Ne G
5.3643000 1.0000000
Ne G
1.9073500 1.0000000
Ne H
3.7565000 1.0000000
end
basis "Na_5ZP" SPHERICAL
Na S
549632.88956726 0.0000780
84078.05692532 0.0005848
19869.80603660 0.0028698
6034.60080773 0.0106142
2219.80237461 0.0310228
919.65318407 0.0860512
381.11593242 0.2545434
154.92917204 0.6919621
Na S
64.02898735 0.4139641
27.49546072 0.6167258
Na S
12.24878260 1.0000000
Na S
5.30211534 1.0000000
Na S
2.54525720 1.0000000
Na S
1.22127178 1.0000000
Na S
0.66669525 1.0000000
Na S
0.36430490 1.0000000
Na S
0.06226253 1.0000000
Na S
0.02441244 1.0000000
Na P
374.93024675 0.0013745
101.97625581 0.0092096
34.83908888 0.0411864
13.18052024 0.1484646
5.02859188 0.3784253
1.93351579 0.5723821
Na P
0.74344536 1.0000000
Na P
0.28585803 1.0000000
Na P
0.10991367 1.0000000
Na P
0.04226229 1.0000000
Na P
0.01625004 1.0000000
Na P
0.00624821 1.0000000
Na D
0.17539870 1.0000000
Na D
0.09610944 1.0000000
Na D
0.06080667 1.0000000
Na D
0.02350536 1.0000000
Na F
0.17754129 1.0000000
Na F
0.15190465 1.0000000
Na F
0.06149322 1.0000000
Na G
0.17882158 1.0000000
Na G
0.09136502 1.0000000
Na H
0.14644453 1.0000000
end
basis "Mg_5ZP" SPHERICAL
Mg S
664680.24662198 0.0000778
101432.92555770 0.0005844
23962.99827352 0.0028704
7249.00086620 0.0107432
2624.09973010 0.0325514
1070.26812425 0.0900468
449.08814798 0.2555585
186.14536596 0.6853588
Mg S
77.55001432 0.4074557
33.08731143 0.6235054
Mg S
15.54003399 1.0000000
Mg S
9.07232004 1.0000000
Mg S
2.74160384 1.0000000
Mg S
1.19347261 1.0000000
Mg S
0.54844488 1.0000000
Mg S
0.1658108 1.0000000
Mg S
0.0788094 1.0000000
Mg S
0.03519519 1.0000000
Mg P
760.28507184 0.0007503
177.04167496 0.0066346
55.09346986 0.0364607
19.66759322 0.1403908
7.68679148 0.3624653
3.15554537 0.5874114
Mg P
1.33140257 1.0000000
Mg P
0.57084614 1.0000000
Mg P
0.19432891 1.0000000
Mg P
0.08268454 1.0000000
Mg P
0.03691338 1.0000000
Mg P
0.01704311 1.0000000
Mg D
0.5269100 1.0000000
Mg D
0.1972670 1.0000000
Mg D
0.0887000 1.0000000
Mg D
0.0397450 1.0000000
Mg F
0.9758400 1.0000000
Mg F
0.2531800 1.0000000
Mg F
0.0991000 1.0000000
Mg G
0.2761200 1.0000000
Mg G
0.1109140 1.0000000
Mg H
0.2337090 1.0000000
end
basis "Al_5ZP" SPHERICAL
Al S
935084.31288260 0.0000796
143677.63413932 0.0005903
34216.07824186 0.0028786
10337.94724075 0.0108943
3718.63965245 0.0332230
1529.29549568 0.0891101
655.14416987 0.2495991
274.16961124 0.6899743
Al S
114.31556643 0.3809932
48.87006900 0.6490291
Al S
22.16547155 1.0000000
Al S
10.65996031 1.0000000
Al S
3.7581888 1.0000000
Al S
1.73170114 1.0000000
Al S
0.80392817 1.0000000
Al S
0.26251652 1.0000000
Al S
0.12016641 1.0000000
Al S
0.05121355 1.0000000
Al P
1719.05329755 0.0004257
409.85069914 0.0036764
131.97892543 0.0207724
48.23452641 0.0903041
18.93324079 0.2999894
7.85932367 0.6868896
Al P
3.37486181 1.0000000
Al P
1.48539679 1.0000000
Al P
0.65379476 1.0000000
Al P
0.24507035 1.0000000
Al P
0.09725269 1.0000000
Al P
0.03779873 1.0000000
Al D
0.46583666 1.0000000
Al D
0.35782033 1.0000000
Al D
0.17179833 1.0000000
Al D
0.06652533 1.0000000
Al F
0.5233130 1.0000000
Al F
0.3700930 1.0000000
Al F
0.1502100 1.0000000
Al G
0.5097610 1.0000000
Al G
0.2443410 1.0000000
Al H
0.4206410 1.0000000
end
basis "Si_5ZP" SPHERICAL
Si S
1060955.95691063 0.0000905
165708.53985054 0.0006406
41210.72818364 0.0029581
12685.90175359 0.0111555
4558.01390332 0.0345335
1874.38755704 0.0909458
816.19846826 0.2485906
346.32280368 0.6871018
Si S
145.25787168 0.3714467
62.27886054 0.6580534
Si S
28.18899929 1.0000000
Si S
13.25810927 1.0000000
Si S
4.73484974 1.0000000
Si S
2.22559522 1.0000000
Si S
1.04811179 1.0000000
Si S
0.36794795 1.0000000
Si S
0.16695352 1.0000000
Si S
0.07032384 1.0000000
Si P
1499.38112966 0.0006426
364.88698717 0.0052266
121.86861242 0.0266773
46.72832665 0.1037434
19.24183390 0.3121011
8.29104244 0.6574461
Si P
3.66638816 1.0000000
Si P
1.64839176 1.0000000
Si P
0.71589957 1.0000000
Si P
0.3091828 1.0000000
Si P
0.12792476 1.0000000
Si P
0.0512258 1.0000000
Si D
0.72794666 1.0000000
Si D
0.33042476 1.0000000
Si D
0.12462738 1.0000000
Si F
0.6713710 1.0000000
Si F
0.4516255 1.0000000
Si F
0.1902000 1.0000000
Si G
0.6828200 1.0000000
Si G
0.3269610 1.0000000
Si H
0.5690410 1.0000000
end
basis "P_5ZP" SPHERICAL
P S
1179999.98661496 0.0001238
194943.06295668 0.0007596
55576.97387328 0.0029067
18389.73627886 0.0105922
6813.84397000 0.0322061
2831.55905178 0.0857174
1224.04259121 0.2428795
511.10472991 0.6994200
P S
210.94626554 0.3484496
89.06075411 0.6811469
P S
39.47568423 1.0000000
P S
17.8357713 1.0000000
P S
6.19322063 1.0000000
P S
2.96546309 1.0000000
P S
1.39347273 1.0000000
P S
0.49388545 1.0000000
P S
0.22470427 1.0000000
P S
0.09275952 1.0000000
P P
1763.67411283 0.0006399
427.04763107 0.0052714
142.07960138 0.0270828
54.65772181 0.1045688
22.71678698 0.3114760
9.89513546 0.6556096
P P
4.42191244 1.0000000
P P
1.99791413 1.0000000
P P
0.84967124 1.0000000
P P
0.38936311 1.0000000
P P
0.16663504 1.0000000
P P
0.06770611 1.0000000
P D
1.0390390 1.0000000
P D
0.4211760 1.0000000
P D
0.1608280 1.0000000
P F
0.8506790 1.0000000
P F
0.5592465 1.0000000
P F
0.2426710 1.0000000
P G
0.8900800 1.0000000
P G
0.4233450 1.0000000
P H
0.7404650 1.0000000
end
basis "S_5ZP" SPHERICAL
S S
1212999.21922839 0.0001513
203576.92852534 0.0008848
61945.88868383 0.0030186
21506.73946780 0.0107200
8116.57308200 0.0324637
3386.04934479 0.0866057
1471.43313117 0.2427963
618.77938709 0.6977999
S S
256.38261605 0.3423964
108.28988434 0.6869099
S S
47.75992728 1.0000000
S S
21.35368922 1.0000000
S S
7.47459101 1.0000000
S S
3.63373918 1.0000000
S S
1.71216477 1.0000000
S S
0.61956519 1.0000000
S S
0.28214609 1.0000000
S S
0.11682643 1.0000000
S P
2271.28493538 0.0005655
552.81087316 0.0046292
184.73599046 0.0240344
70.86191924 0.0963185
29.16169132 0.3021561
12.57504775 0.6730739
S P
5.57521883 1.0000000
S P
2.49784707 1.0000000
S P
1.04215054 1.0000000
S P
0.47342848 1.0000000
S P
0.19908054 1.0000000
S P
0.0785522 1.0000000
S D
1.23298065 1.0000000
S D
0.78380133 1.0000000
S D
0.416125665 1.0000000
S D
0.15680034 1.0000000
S F
1.08536698 1.0000000
S F
0.65563349 1.0000000
S F
0.2762400 1.0000000
S G
1.06238508 1.0000000
S G
0.47884254 1.0000000
S H
0.87614254 1.0000000
end
basis "Cl_5ZP" SPHERICAL
Cl S
1239999.57729787 0.0001672
210420.39318093 0.0009404
67964.81345987 0.0028778
24415.66238126 0.0102864
9161.00128229 0.0324292
3715.04258744 0.0903201
1597.95594775 0.2466156
680.26304230 0.6911145
Cl S
285.07031310 0.3434979
121.21790284 0.6854313
Cl S
53.80009801 1.0000000
Cl S
24.20502198 1.0000000
Cl S
8.36684037 1.0000000
Cl S
4.10142477 1.0000000
Cl S
1.97113844 1.0000000
Cl S
0.76887336 1.0000000
Cl S
0.34689176 1.0000000
Cl S
0.1433258 1.0000000
Cl P
2618.33990591 0.0005425
635.04667449 0.0044872
210.85882567 0.0236809
80.32220507 0.0962632
32.90489855 0.3032841
14.15944766 0.6726512
Cl P
6.28420241 1.0000000
Cl P
2.82878129 1.0000000
Cl P
1.16523475 1.0000000
Cl P
0.53827439 1.0000000
Cl P
0.23168693 1.0000000
Cl P
0.09264925 1.0000000
Cl D
2.23841833 1.0000000
Cl D
1.11409786 1.0000000
Cl D
0.55642893 1.0000000
Cl D
0.21391866 1.0000000
Cl F
1.3129300 1.0000000
Cl F
0.7885550 1.0000000
Cl F
0.3379800 1.0000000
Cl G
1.3050700 1.0000000
Cl G
0.5807910 1.0000000
Cl H
1.0623500 1.0000000
end
basis "Ar_5ZP" SPHERICAL
Ar S
1251999.04959334 0.0001956
213336.65722743 0.0010797
72643.24239158 0.0029092
27483.75054174 0.0102117
10446.66484059 0.0325935
4209.43801470 0.0922861
1808.89062320 0.2483925
776.99019491 0.6871461
Ar S
327.84598593 0.3408078
139.72156702 0.6878625
Ar S
61.96763869 1.0000000
Ar S
27.80493062 1.0000000
Ar S
9.60192681 1.0000000
Ar S
4.75963151 1.0000000
Ar S
2.3059598 1.0000000
Ar S
0.93089231 1.0000000
Ar S
0.41830002 1.0000000
Ar S
0.17210954 1.0000000
Ar P
2664.10276522 0.0006133
646.42070990 0.0050447
215.74263427 0.0260394
83.08964945 0.1024178
34.51137758 0.3101591
15.04706101 0.6586914
Ar P
6.79179336 1.0000000
Ar P
3.1252798 1.0000000
Ar P
1.30375704 1.0000000
Ar P
0.60599797 1.0000000
Ar P
0.26518486 1.0000000
Ar P
0.10762478 1.0000000
Ar D
3.4440409 1.0000000
Ar D
1.4007430 1.0000000
Ar D
0.6905200 1.0000000
Ar D
0.2709110 1.0000000
Ar F
1.5699800 1.0000000
Ar F
0.9499550 1.0000000
Ar F
0.4122600 1.0000000
Ar G
1.5778400 1.0000000
Ar G
0.6979800 1.0000000
Ar H
1.2770940 1.0000000
end
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