/usr/share/mpqc/3.0.0-alpha/basis/ano-pvdz.kv is in mpqc3-data 0.0~git20170114-4ubuntu1.
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%
% ANO basis sets from atomic MR-ACPF based on cc-pV6Z primitives
%
% H-Al: Neese, F.; Valeev, E.F J. Chem. Theo. Comp., 2010, submitted for publication
%
%
hydrogen: "ano-pVDZ": [
(type: [ am = s am = s ]
{exp coef:0 coef:1} = {
402.0099000000 -0.0004429508 -0.0005857917
60.2419600000 -0.0032507467 -0.0020963443
13.7321700000 -0.0181152250 -0.0304299021
3.9045050000 -0.0636329998 -0.0288272025
1.2827090000 -0.2221636410 -0.7526945634
0.4655440000 -0.4041047831 -0.5303060000
0.1811200000 -0.3481081094 0.9524676196
0.0727910000 -0.0927213251 0.1944104297
})
(type: [ am = p ]
{exp coef:0} = {
9.8800000000 0.0055312240
3.9500000000 0.0053232428
1.5800000000 0.1503847471
0.6300000000 0.5829443939
0.2500000000 0.3399470552
0.1000000000 0.0317494051
})
]
helium: "ano-pVDZ": [
(type: [ am = s am = s ]
{exp coef:0 coef:1} = {
4785.0000000000 0.0000603202 0.0000888731
717.0000000000 0.0004684960 0.0006940214
163.2000000000 0.0024501467 0.0036433971
46.2600000000 0.0101553835 0.0157462582
15.1000000000 0.0350340333 0.0614009646
5.4370000000 0.0992797341 0.2414755099
2.0880000000 0.2173871303 0.6119641323
0.8297000000 0.3472682167 0.1961329442
0.3366000000 0.3445578174 -0.7241642195
0.1369000000 0.1180260053 -0.3382814814
})
(type: [ am = p ]
{exp coef:0} = {
0.3870000000 0.2887442887
0.9840000000 0.5361342449
2.4980000000 0.2659020077
6.3420000000 0.0400702083
16.1040000000 0.0090385832
})
]
lithium: "ano-pVDZ": [
(type: [ am = s am = s am = s ]
{exp coef:0 coef:1 coef:2} = {
70681.0000000000 0.0000053236 0.0000008577 0.0000080423
13594.0000000000 0.0000323747 0.0000052160 0.0000490032
3100.4000000000 0.0001879603 0.0000302866 0.0002842400
826.4600000000 0.0008712219 0.0001404588 0.0013265029
253.7600000000 0.0033836700 0.0005463525 0.0052097294
88.4510000000 0.0110494789 0.0017918661 0.0179882238
34.4930000000 0.0305955979 0.0050120074 0.0571974540
14.8310000000 0.0707341149 0.0118375809 0.1782581630
6.9299000000 0.1345557163 0.0233643106 0.4298970134
3.4678000000 0.2069615916 0.0381867406 0.4508658275
1.8316000000 0.2591085719 0.0536789047 -0.0371352880
1.0063000000 0.2468661567 0.0683347487 -0.4872120993
0.5667800000 0.1501162290 0.0749471861 -0.4627668553
0.3225400000 0.0448272557 0.0592482250 -0.1601289845
0.1827700000 0.0035755287 -0.0260749945 -0.0116236967
0.1016400000 0.0003154609 -0.2220432444 0.0661103743
0.0546660000 0.0005366220 -0.4734515860 0.1351321962
0.0280250000 0.0004574244 -0.3620754465 0.1047064237
0.0134970000 0.0000471593 -0.0407343934 0.0116751457
})
(type: [ am = p ]
{exp coef:0} = {
28.5000000000 0.0189870192
6.6400000000 0.3141072757
1.9200000000 0.6617276623
0.7700000000 0.0886066288
0.3200000000 0.1156570486
0.1500000000 -0.0647171322
0.0660000000 0.0269408101
0.0250000000 -0.0074775714
})
]
beryllium: "ano-pVDZ": [
(type: [ am = s am = s am = s ]
{exp coef:0 coef:1 coef:2} = {
139330.0000000000 0.0000048137 0.0000008966 -0.0000013388
26774.0000000000 0.0000292950 0.0000054566 -0.0000081449
6112.0000000000 0.0001696534 0.0000316042 -0.0000472010
1632.9000000000 0.0007837988 0.0001460945 -0.0002181144
503.0300000000 0.0030296604 0.0005655948 -0.0008456379
176.0300000000 0.0098688962 0.0018504976 -0.0027700998
68.9390000000 0.0273158639 0.0051738207 -0.0078018669
29.7680000000 0.0638839975 0.0123588076 -0.0188623345
13.9630000000 0.1244755331 0.0250209252 -0.0393045895
7.0090000000 0.1997945143 0.0429921324 -0.0686639537
3.7094000000 0.2603024986 0.0640053839 -0.1016445025
2.0392000000 0.2561166821 0.0837309282 -0.1297877375
1.1472000000 0.1602238386 0.0886004427 -0.1780941635
0.6507000000 0.0479172446 0.0453339368 -0.0475153109
0.3665900000 0.0040519380 -0.0774503499 0.7220485366
0.2021100000 0.0000553253 -0.2769575079 0.9937821087
0.1074200000 -0.0000146329 -0.4532396096 -0.3707388758
0.0542310000 0.0000054228 -0.3011584730 -0.9022620370
0.0256190000 0.0000000000 -0.0331442139 -0.1163652246
})
(type: [ am = p ]
{exp coef:0} = {
45.7000000000 0.0005598577
10.6000000000 0.0049230936
3.0800000000 0.0198821499
1.2300000000 0.0394518210
0.5100000000 0.1630602437
0.2300000000 0.4111578133
0.1060000000 0.4429347544
0.0400000000 0.0688676460
})
]
boron: "ano-pVDZ": [
(type: [ am = s am = s am = s ]
{exp coef:0 coef:1 coef:2} = {
210400.0000000000 0.0000058419 0.0000011280 -0.0000015351
31500.0000000000 0.0000454146 0.0000087607 -0.0000119591
7169.0000000000 0.0002389029 0.0000461618 -0.0000627416
2030.0000000000 0.0010079000 0.0001945321 -0.0002659788
662.5000000000 0.0036529523 0.0007082580 -0.0009617749
239.2000000000 0.0117622375 0.0022868566 -0.0031373676
93.2600000000 0.0338828343 0.0067020510 -0.0091280070
38.6400000000 0.0857657026 0.0174065585 -0.0242286332
16.7800000000 0.1830564860 0.0397538712 -0.0553385063
7.5410000000 0.3066666848 0.0754768239 -0.1084827858
3.4820000000 0.3420305417 0.1190307837 -0.1748472341
1.6180000000 0.1767395801 0.1092470410 -0.1931910158
0.6270000000 0.0161871420 -0.1137525839 0.7386485838
0.2934000000 -0.0072524426 -0.4401365807 0.9645338675
0.1310000000 -0.0045661166 -0.4644885380 -0.8678854847
0.0581500000 -0.0017393129 -0.1275880120 -0.5839131756
})
(type: [ am = p am = p ]
{exp coef:0 coef:1} = {
192.5000000000 0.0001348580 0.0001038119
45.6400000000 0.0011483171 0.0010029799
14.7500000000 0.0058428161 0.0044027503
5.5030000000 0.0210758283 0.0159590908
2.2220000000 0.0611960100 0.0140866372
0.9590000000 0.1530710758 0.2036025057
0.4314000000 0.2943241620 0.6405610720
0.1969000000 0.3642704356 0.0138043328
0.0903300000 0.2585309237 -0.7239551491
0.0406600000 0.0717053089 -0.2861547514
})
(type: [ (am = d puream = 1) ]
{exp coef:0} = {
2.8860000000 0.0124864080
1.2670000000 0.0646166325
0.5560000000 0.3523640343
0.2440000000 0.4918272179
0.1070000000 0.2485231797
})
]
carbon: "ano-pVDZ": [
(type: [ am = s am = s am = s ]
{exp coef:0 coef:1 coef:2} = {
312100.0000000000 0.0000056888 0.0000011517 0.0000014615
46740.0000000000 0.0000442122 0.0000089401 0.0000113996
10640.0000000000 0.0002324717 0.0000471067 0.0000596491
3013.0000000000 0.0009813983 0.0001985305 0.0002537561
982.8000000000 0.0035604858 0.0007241159 0.0009151876
354.8000000000 0.0114692478 0.0023373031 0.0029997075
138.4000000000 0.0330825487 0.0068692727 0.0086902270
57.3500000000 0.0842739202 0.0179514067 0.0233513200
24.9200000000 0.1811835207 0.0414871653 0.0532963047
11.2300000000 0.3058726609 0.0795916232 0.1071421338
5.2010000000 0.3428996624 0.1258249776 0.1715711640
2.4260000000 0.1785203122 0.1068228241 0.1810506143
0.9673000000 0.0174929057 -0.1286390810 -0.6618969705
0.4456000000 -0.0069381856 -0.4398665406 -0.9413749900
0.1971000000 -0.0045895926 -0.4462025705 0.6896636760
0.0863500000 -0.0017787010 -0.1396137797 0.7079116403
})
(type: [ am = p am = p ]
{exp coef:0 coef:1} = {
295.2000000000 0.0001429536 0.0001641191
69.9800000000 0.0012248907 0.0015014551
22.6400000000 0.0063589239 0.0073769191
8.4850000000 0.0235884808 0.0284317842
3.4590000000 0.0696777731 0.0674783713
1.5040000000 0.1664464149 0.2857591239
0.6783000000 0.2933564994 0.5586074972
0.3087000000 0.3512017572 -0.0898519083
0.1400000000 0.2563868868 -0.6546507650
0.0617800000 0.0762169165 -0.2604391448
})
(type: [ (am = d puream = 1) ]
{exp coef:0} = {
4.5420000000 0.0143889048
1.9790000000 0.0713989420
0.8621000000 0.3570760522
0.3756000000 0.4803354126
0.1636000000 0.2551176449
})
]
nitrogen: "ano-pVDZ": [
(type: [ am = s am = s am = s ]
{exp coef:0 coef:1 coef:2} = {
432300.0000000000 0.0000055936 0.0000012377 0.0000013948
64700.0000000000 0.0000435138 0.0000096146 0.0000109071
14720.0000000000 0.0002289287 0.0000507014 0.0000569709
4170.0000000000 0.0009650171 0.0002132911 0.0002427563
1361.0000000000 0.0035021904 0.0007784594 0.0008723951
491.2000000000 0.0112921163 0.0025133634 0.0028758828
191.6000000000 0.0326128265 0.0073972480 0.0082942767
79.4100000000 0.0832972697 0.0193531475 0.0225053948
34.5300000000 0.1799856581 0.0449446014 0.0512093507
15.5800000000 0.3050035130 0.0862431945 0.1048497272
7.2320000000 0.3411593117 0.1342509759 0.1644290239
3.3820000000 0.1774826966 0.1060138777 0.1710558715
1.3690000000 0.0198840957 -0.1384170918 -0.5974990638
0.6248000000 -0.0012466348 -0.4391267599 -0.9102913983
0.2747000000 0.0010401039 -0.4313435809 0.5234527691
0.1192000000 -0.0001265860 -0.1507186091 0.8200521439
})
(type: [ am = p am = p ]
{exp coef:0 coef:1} = {
415.9000000000 0.0001493515 0.0001951090
98.6100000000 0.0012852780 0.0017570195
31.9200000000 0.0067482167 0.0089935233
12.0000000000 0.0254480843 0.0354017865
4.9190000000 0.0755743643 0.0970144192
2.1480000000 0.1758280802 0.3245625207
0.9696000000 0.2962195131 0.5070185471
0.4399000000 0.3441099405 -0.1454680195
0.1978000000 0.2503615773 -0.6201309743
0.0860300000 0.0763931220 -0.2427206584
})
(type: [ (am = d puream = 1) ]
{exp coef:0} = {
6.7170000000 0.0153532025
2.8960000000 0.0739377840
1.2490000000 0.3611149183
0.5380000000 0.4784008261
0.2320000000 0.2548775648
})
]
oxygen: "ano-pVDZ": [
(type: [ am = s am = s am = s ]
{exp coef:0 coef:1 coef:2} = {
570800.0000000000 0.0000055477 0.0000012619 -0.0000014956
85480.0000000000 0.0000431114 0.0000097942 -0.0000116782
19460.0000000000 0.0002266878 0.0000516082 -0.0000610049
5512.0000000000 0.0009564461 0.0002173760 -0.0002599662
1798.0000000000 0.0034734806 0.0007936340 -0.0009359729
648.9000000000 0.0111986722 0.0025636828 -0.0030816635
253.1000000000 0.0323902914 0.0075540649 -0.0089188306
104.9000000000 0.0828666917 0.0198252847 -0.0242145842
45.6500000000 0.1795999151 0.0462226113 -0.0555592008
20.6200000000 0.3052522946 0.0893623473 -0.1145275935
9.5870000000 0.3409416044 0.1383434619 -0.1828853636
4.4930000000 0.1774628746 0.1051813067 -0.1753958431
1.8370000000 0.0204404056 -0.1491659047 0.7138602082
0.8349000000 -0.0011225476 -0.4435386388 0.8831041524
0.3658000000 0.0009015503 -0.4304217683 -0.7228450116
0.1570000000 -0.0001420890 -0.1392847630 -0.6629030498
})
(type: [ am = p am = p ]
{exp coef:0 coef:1} = {
525.6000000000 0.0001676631 0.0002041327
124.6000000000 0.0014434160 0.0017992162
40.3400000000 0.0075973289 0.0093549749
15.1800000000 0.0288049894 0.0361612981
6.2450000000 0.0849419814 0.1047852150
2.7320000000 0.1899631174 0.3132249093
1.2270000000 0.2990478650 0.4464833129
0.5492000000 0.3320569965 -0.1162190220
0.2418000000 0.2419920846 -0.5398121590
0.1025000000 0.0836337245 -0.3468451765
})
(type: [ (am = d puream = 1) ]
{exp coef:0} = {
8.2530000000 0.0204005719
3.5970000000 0.0941369585
1.5680000000 0.3964770909
0.6840000000 0.4553601610
0.2980000000 0.2204057295
})
]
fluorine: "ano-pVDZ": [
(type: [ am = s am = s am = s ]
{exp coef:0 coef:1 coef:2} = {
723500.0000000000 0.0000055553 0.0000013026 -0.0000015812
108400.0000000000 0.0000431553 0.0000101077 -0.0000123348
24680.0000000000 0.0002268882 0.0000532435 -0.0000644826
6990.0000000000 0.0009575524 0.0002243797 -0.0002745547
2282.0000000000 0.0034684130 0.0008168400 -0.0009873826
824.6000000000 0.0111796501 0.0026390477 -0.0032450794
321.8000000000 0.0323122990 0.0077680664 -0.0094085579
133.5000000000 0.0827520288 0.0204244295 -0.0255267961
58.1100000000 0.1797788209 0.0477452371 -0.0590490461
26.2800000000 0.3053815712 0.0924737947 -0.1218295932
12.2400000000 0.3399668832 0.1419594377 -0.1971062346
5.7470000000 0.1764600805 0.1040673447 -0.1743133493
2.3650000000 0.0211818400 -0.1571528412 0.8011339277
1.0710000000 0.0002018100 -0.4453843402 0.8433478026
0.4681000000 0.0020122870 -0.4282969012 -0.8437666826
0.1994000000 0.0001869180 -0.1334229001 -0.5565415269
})
(type: [ am = p am = p ]
{exp coef:0 coef:1} = {
660.0000000000 0.0001782292 0.0002343478
156.4000000000 0.0015363519 0.0020724260
50.6400000000 0.0081228434 0.0108206813
19.0800000000 0.0309453269 0.0423975838
7.8720000000 0.0908038263 0.1252617416
3.4490000000 0.1976141799 0.3557554018
1.5450000000 0.3005906180 0.4260597814
0.6864000000 0.3264224499 -0.1962653428
0.2986000000 0.2396685264 -0.5539365531
0.1245000000 0.0812040964 -0.2621522640
})
(type: [ (am = d puream = 1) ]
{exp coef:0} = {
10.5730000000 0.0227863167
4.6130000000 0.1014701669
2.0130000000 0.4106536839
0.8780000000 0.4490885351
0.3830000000 0.2033548260
})
]
neon: "ano-pVDZ": [
(type: [ am = s am = s am = s ]
{exp coef:0 coef:1 coef:2} = {
902400.0000000000 0.0000055071 0.0000012963 -0.0000016115
135100.0000000000 0.0000428234 0.0000100690 -0.0000125800
30750.0000000000 0.0002251425 0.0000530405 -0.0000657939
8710.0000000000 0.0009501602 0.0002235171 -0.0002799674
2842.0000000000 0.0034471885 0.0008150559 -0.0010092608
1026.0000000000 0.0111254471 0.0026368822 -0.0033183047
400.1000000000 0.0322056752 0.0077760083 -0.0096483669
165.9000000000 0.0825989133 0.0204887059 -0.0261882549
72.2100000000 0.1799056420 0.0480966546 -0.0609198166
32.6600000000 0.3060520777 0.0935683962 -0.1260413906
15.2200000000 0.3401255836 0.1433560718 -0.2054888974
7.1490000000 0.1761682211 0.1021558762 -0.1719233603
2.9570000000 0.0210152784 -0.1629347673 0.8489060997
1.3350000000 -0.0005074379 -0.4466761688 0.8131694566
0.5816000000 0.0010578574 -0.4258625122 -0.9018536884
0.2463000000 -0.0000598773 -0.1303062944 -0.4999251190
})
(type: [ am = p am = p ]
{exp coef:0 coef:1} = {
815.6000000000 0.0001847705 0.0002554864
193.3000000000 0.0015941093 0.0022579163
62.6000000000 0.0084653531 0.0118809731
23.6100000000 0.0324030611 0.0469683102
9.7620000000 0.0947184717 0.1409600178
4.2810000000 0.2026241681 0.3822895707
1.9150000000 0.3017949700 0.4049571155
0.8476000000 0.3231669759 -0.2487725194
0.3660000000 0.2371385895 -0.5505559893
0.1510000000 0.0791176295 -0.2146565483
})
(type: [ (am = d puream = 1) ]
{exp coef:0} = {
13.3170000000 0.0247658998
5.8030000000 0.1068765548
2.5290000000 0.4205406931
1.1020000000 0.4449468742
0.4800000000 0.1908712837
})
]
sodium: "ano-pVDZ": [
(type: [ am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3} = {
1918700.0000000000 0.0000027088 0.0000007485 0.0000001096 -0.0000009121
287270.0000000000 0.0000210578 0.0000058177 0.0000008513 -0.0000070597
65382.0000000000 0.0001107868 0.0000306178 0.0000044829 -0.0000373862
18523.0000000000 0.0004675326 0.0001292259 0.0000189095 -0.0001565746
6045.4000000000 0.0017013284 0.0004709708 0.0000689893 -0.0005770453
2184.2000000000 0.0055150746 0.0015307346 0.0002241299 -0.0018576772
853.1100000000 0.0162308700 0.0045412540 0.0006666895 -0.0056416232
354.6900000000 0.0431395655 0.0122699314 0.0018044493 -0.0153304856
155.3300000000 0.1014860232 0.0299593063 0.0044437500 -0.0400233925
71.2340000000 0.1993943053 0.0633214284 0.0094931411 -0.0843610950
33.8350000000 0.3087288958 0.1142954747 0.0176175702 -0.1526565277
16.3490000000 0.3067052305 0.1541637857 0.0247238067 -0.2121931436
8.0082000000 0.1380881578 0.0893386546 0.0150685595 -0.1082608080
3.6713000000 0.0228929786 -0.1659774106 -0.0326908857 0.9474074884
1.7118000000 0.0132950975 -0.4384235088 -0.0905675951 0.7691961289
0.7914700000 0.0136239139 -0.4291049529 -0.1275950087 -0.9537883808
0.3547900000 0.0037386766 -0.1293167239 -0.1221995181 -0.5979001026
0.0906640000 0.0000744574 0.0004404906 0.2666159471 0.0463503976
0.0443130000 -0.0000095217 -0.0024793949 0.5622463461 0.2186199667
0.0219480000 0.0000213706 0.0009626429 0.2797583349 0.0803942641
0.0108210000 -0.0000000000 -0.0004041010 0.0184296293 0.0098346670
})
(type: [ am = p ]
{exp coef:0} = {
3044.2000000000 0.0000281041
720.0200000000 0.0002565120
234.4200000000 0.0014177652
89.6660000000 0.0063916825
36.6950000000 0.0231537137
16.2560000000 0.0652632255
7.6593000000 0.1440680587
3.7125000000 0.2426572379
1.7992000000 0.3066501458
0.8628800000 0.2855229241
0.4010400000 0.1569049195
0.1775900000 0.0250223117
0.0807000000 0.0009795285
0.0367000000 0.0001433108
0.0167000000 0.0000382855
})
]
magnesium: "ano-pVDZ": [
(type: [ am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3} = {
3199100.0000000000 0.0000017950 0.0000004537 0.0000000875 0.0000000280
479000.0000000000 0.0000139619 0.0000035256 0.0000006788 0.0000002395
109010.0000000000 0.0000734120 0.0000185673 0.0000035808 0.0000010945
30878.0000000000 0.0003103614 0.0000783671 0.0000150794 0.0000055492
10075.0000000000 0.0011295201 0.0002861870 0.0000552299 0.0000160017
3637.9000000000 0.0036825151 0.0009325269 0.0001793639 0.0000691337
1419.5000000000 0.0109059255 0.0027886571 0.0005388577 0.0001458382
589.3500000000 0.0295927497 0.0076392459 0.0014701301 0.0005991665
257.5300000000 0.0721890156 0.0193013967 0.0037442976 0.0009158278
117.1700000000 0.1552649528 0.0438512116 0.0084806778 0.0037456039
54.7620000000 0.2727110821 0.0880107485 0.0173277526 0.0033686778
26.2880000000 0.3344487713 0.1372739709 0.0271678567 0.0148488419
12.8600000000 0.2199168441 0.1369763624 0.0286523167 -0.0029418998
6.2604000000 0.0496777160 -0.0420379328 -0.0104754726 0.0203771606
2.8514000000 0.0027601574 -0.3727875673 -0.0857137348 -0.0755531699
1.3058000000 0.0008143242 -0.5190147633 -0.1685480845 0.0331803053
0.5833100000 0.0000760996 -0.2112102621 -0.1679893506 -0.2102622844
0.1684900000 0.0000236754 -0.0027817880 0.2258424187 0.8016900862
0.0856460000 -0.0000206013 -0.0015874092 0.4543273830 -2.1344067866
0.0450770000 0.0000110197 0.0014257844 0.3902252847 4.2379493487
0.0219340000 -0.0000027094 -0.0004188622 0.0848474620 -3.1742581236
})
(type: [ am = p ]
{exp coef:0} = {
4157.8000000000 0.0000236086
984.5300000000 0.0002172468
320.0900000000 0.0012060672
121.7300000000 0.0056165426
49.8920000000 0.0202158577
22.5420000000 0.0566094004
10.7490000000 0.1300385273
5.2899000000 0.2291317315
2.5996000000 0.3145207710
1.2518000000 0.3051945012
0.5924600000 0.1535948983
0.2694100000 0.0225671416
0.1225000000 0.0011363648
0.0557000000 0.0002596972
0.0253000000 0.0000137661
})
]
aluminum: "ano-pVDZ": [
(type: [ am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3} = {
3652000.0000000000 0.0000018637 0.0000004848 0.0000001107 0.0000001496
546800.0000000000 0.0000144635 0.0000037607 0.0000008591 0.0000011735
124500.0000000000 0.0000761824 0.0000198230 0.0000045255 0.0000060873
35440.0000000000 0.0003158235 0.0000821362 0.0000187694 0.0000257771
11840.0000000000 0.0010973874 0.0002859936 0.0000652773 0.0000871996
4434.0000000000 0.0033697098 0.0008789728 0.0002009878 0.0002783642
1812.0000000000 0.0093221881 0.0024496839 0.0005592223 0.0007395216
791.5000000000 0.0237993006 0.0063137218 0.0014463830 0.0020256318
361.0000000000 0.0568193211 0.0154946400 0.0035455988 0.0046422363
169.5000000000 0.1224688474 0.0349794080 0.0080644174 0.0114436286
81.6800000000 0.2238975904 0.0708150170 0.0163827254 0.0211580673
40.2800000000 0.3134446769 0.1194903762 0.0282463510 0.0414650571
20.2500000000 0.2749772585 0.1489285897 0.0359202031 0.0435211688
10.2300000000 0.1105733913 0.0590936008 0.0151042507 0.0324891435
4.8020000000 0.0119196229 -0.2167547776 -0.0605797083 -0.1196504024
2.3390000000 0.0006369322 -0.4769006098 -0.1508458697 -0.1600031964
1.1630000000 0.0004487692 -0.3764545105 -0.2197750427 -0.5198351326
0.5882000000 -0.0000380120 -0.0870507052 -0.0945734630 0.1665990524
0.2311000000 0.0000593791 -0.0012553997 0.4009096114 1.8438321393
0.1027000000 0.0000587612 0.0022755184 0.6098385480 -0.8377239912
0.0452100000 0.0000261452 0.0005978034 0.1812425049 -0.7637343604
})
(type: [ am = p am = p am = p ]
{exp coef:0 coef:1 coef:2} = {
2884.0000000000 0.0000638513 0.0000120316 0.0000142841
683.2000000000 0.0005636181 0.0001068310 0.0001360566
222.0000000000 0.0031720969 0.0005990995 0.0007115502
84.8200000000 0.0132523750 0.0025255848 0.0032161490
35.8100000000 0.0433836653 0.0082911461 0.0097360249
16.2200000000 0.1120603104 0.0218958429 0.0278786993
7.7020000000 0.2180142757 0.0430126547 0.0498714840
3.7410000000 0.3119431736 0.0633327606 0.0877150859
1.8310000000 0.3169439761 0.0677298350 0.0707128658
0.8878000000 0.1789251325 0.0417050279 0.1575376271
0.3989000000 0.0309903761 -0.1302636002 -0.4809779769
0.1718000000 0.0001206735 -0.4202655134 -0.8348210970
0.0729800000 0.0006689449 -0.4498469253 0.7149805981
0.0306900000 -0.0001263149 -0.1544401658 0.4861292394
})
(type: [ (am = d puream = 1) ]
{exp coef:0} = {
2.2143000000 0.0178097303
0.9449000000 0.0104024313
0.4032000000 0.2594736718
0.1721000000 0.5570493165
0.0734300000 0.3064913572
})
]
silicon: "ano-pVDZ": [
(type: [ am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3} = {
4465000.0000000000 0.0000017473 0.0000004656 0.0000001174 0.0000001544
668500.0000000000 0.0000135737 0.0000036154 0.0000009117 0.0000012097
152200.0000000000 0.0000714074 0.0000190351 0.0000047979 0.0000062868
43300.0000000000 0.0002972583 0.0000791894 0.0000199725 0.0000266189
14410.0000000000 0.0010382833 0.0002772083 0.0000698666 0.0000910384
5394.0000000000 0.0031746754 0.0008481095 0.0002140131 0.0002872714
2212.0000000000 0.0087324958 0.0023503240 0.0005925740 0.0007656291
968.1000000000 0.0223831560 0.0060769746 0.0015361117 0.0020810559
441.2000000000 0.0537277388 0.0149870123 0.0037888605 0.0048593425
207.1000000000 0.1166496266 0.0340090641 0.0086522181 0.0118522651
99.8000000000 0.2159801909 0.0695329490 0.0177881630 0.0226106642
49.2400000000 0.3095683722 0.1191292035 0.0310894097 0.0438278795
24.7400000000 0.2839493584 0.1538141850 0.0411817036 0.0504887020
12.4700000000 0.1222386085 0.0705550699 0.0198252138 0.0362050687
5.7950000000 0.0141879507 -0.2133828413 -0.0661548777 -0.1270928643
2.8300000000 0.0002860923 -0.4923372859 -0.1800558890 -0.2001256711
1.4070000000 0.0005809654 -0.3795188177 -0.2586501325 -0.5742179324
0.6995000000 -0.0001362624 -0.0760495636 -0.0634512383 0.3055779655
0.3083000000 0.0001132324 0.0002918897 0.4458147628 1.7987083339
0.1385000000 0.0000583027 0.0022699407 0.5867135228 -0.8746987215
0.0614500000 0.0000334760 0.0007920933 0.1713355928 -0.7519397942
})
(type: [ am = p am = p am = p ]
{exp coef:0 coef:1 coef:2} = {
3572.0000000000 0.0000598101 0.0000130489 0.0000157401
846.0000000000 0.0005290197 0.0001153341 0.0001447401
274.8000000000 0.0029927264 0.0006545621 0.0007900959
105.0000000000 0.0126203482 0.0027679638 0.0034753084
44.3500000000 0.0418585003 0.0092817285 0.0111422064
20.0800000000 0.1101297267 0.0248181605 0.0310943218
9.5300000000 0.2185746699 0.0504241847 0.0607776749
4.6340000000 0.3174806034 0.0744168937 0.0978451850
2.2800000000 0.3193308887 0.0817489341 0.0962138762
1.1160000000 0.1714145959 0.0308043509 0.1239530560
0.4991000000 0.0272061913 -0.1781724925 -0.6357752212
0.2254000000 -0.0003246500 -0.4297428083 -0.6602065294
0.1001000000 0.0008254369 -0.4115302182 0.7632107906
0.0433200000 -0.0001201983 -0.1316751465 0.4370191772
})
(type: [ (am = d puream = 1) ]
{exp coef:0} = {
3.2386000000 0.0197751361
1.3767000000 0.0150954672
0.5853000000 0.2572361186
0.2488000000 0.5560472315
0.1058000000 0.3081147567
})
]
phosphorous: "ano-pVDZ": [
(type: [ am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3} = {
5384000.0000000000 0.0000016457 0.0000004469 0.0000001233 0.0000001526
806200.0000000000 0.0000127815 0.0000034695 0.0000009570 0.0000011946
183600.0000000000 0.0000672065 0.0000182569 0.0000050356 0.0000062114
52250.0000000000 0.0002797109 0.0000759386 0.0000209489 0.0000262588
17390.0000000000 0.0009766998 0.0002657236 0.0000732948 0.0000899315
6523.0000000000 0.0029683492 0.0008080453 0.0002229871 0.0002814550
2687.0000000000 0.0081239977 0.0022273283 0.0006147004 0.0007481310
1178.0000000000 0.0209200106 0.0057833199 0.0015982748 0.0020348735
536.2000000000 0.0505590328 0.0143437812 0.0039699165 0.0048018560
251.5000000000 0.1104791033 0.0327060584 0.0090937104 0.0117025222
121.3000000000 0.2069569123 0.0673715266 0.0188701405 0.0226723683
59.8800000000 0.3047373414 0.1176471371 0.0335159167 0.0443417480
30.0500000000 0.2929523106 0.1572798118 0.0461471119 0.0542824195
15.1200000000 0.1355607116 0.0838541752 0.0256075836 0.0413471455
7.0100000000 0.0173207816 -0.1997171854 -0.0673395749 -0.1274586979
3.4410000000 -0.0000351698 -0.4986030336 -0.2038094414 -0.2161431174
1.7120000000 0.0008032620 -0.3898171231 -0.2883032752 -0.5952197935
0.8337000000 -0.0002438395 -0.0743425810 -0.0407361705 0.3712623750
0.3912000000 0.0000987220 -0.0007367752 0.4713076887 1.7272055910
0.1777000000 -0.0000512279 -0.0009261894 0.5659660071 -0.8075089899
0.0793900000 0.0000100911 0.0000000000 0.1702693605 -0.8027687020
})
(type: [ am = p am = p am = p ]
{exp coef:0 coef:1 coef:2} = {
4552.0000000000 0.0000519530 0.0000125053 0.0000155755
1078.0000000000 0.0004604024 0.0001106415 0.0001422935
350.1000000000 0.0026208164 0.0006324495 0.0007886088
133.8000000000 0.0111872441 0.0027051340 0.0034835891
56.5200000000 0.0378228974 0.0092564586 0.0115313768
25.5800000000 0.1021163975 0.0254006335 0.0327400156
12.1400000000 0.2103137453 0.0537628786 0.0676387623
5.9020000000 0.3173823797 0.0825945281 0.1100021755
2.9100000000 0.3271640365 0.0926223095 0.1118379956
1.4350000000 0.1776869820 0.0309116256 0.1082446644
0.6570000000 0.0293588218 -0.1930952447 -0.6884915103
0.3005000000 -0.0000752283 -0.4363625520 -0.5895119846
0.1340000000 0.0006795891 -0.4008800592 0.7746977189
0.0578300000 -0.0001259461 -0.1220492925 0.4128842454
})
(type: [ (am = d puream = 1) ]
{exp coef:0} = {
4.3008000000 0.0212636418
1.8346000000 0.0188050678
0.7826000000 0.2647976295
0.3339000000 0.5535103472
0.1424000000 0.3004340001
})
]
sulfur: "ano-pVDZ": [
(type: [ am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3} = {
6297000.0000000000 0.0000015921 0.0000004382 0.0000001350 0.0000001515
943100.0000000000 0.0000123599 0.0000034001 0.0000010473 0.0000011864
214900.0000000000 0.0000649159 0.0000178707 0.0000055054 0.0000061554
61250.0000000000 0.0002693326 0.0000741041 0.0000228258 0.0000259766
20450.0000000000 0.0009346034 0.0002576639 0.0000793897 0.0000882303
7719.0000000000 0.0028081493 0.0007746516 0.0002386496 0.0002737658
3198.0000000000 0.0076736278 0.0021312954 0.0006570998 0.0007237910
1402.0000000000 0.0198887182 0.0055689211 0.0017175837 0.0019883683
637.2000000000 0.0482561629 0.0138537158 0.0042826970 0.0046884897
298.9000000000 0.1057504175 0.0316453111 0.0098118258 0.0114963962
144.3000000000 0.2002096787 0.0656714009 0.0205253893 0.0223354902
71.2100000000 0.3007047557 0.1163667541 0.0368719010 0.0445622770
35.7300000000 0.2986548787 0.1591288761 0.0519727886 0.0556857997
17.9700000000 0.1463267075 0.0941285220 0.0318049495 0.0465569275
8.3410000000 0.0201597202 -0.1869455747 -0.0692984997 -0.1262555207
4.1120000000 -0.0001027048 -0.5017349200 -0.2299302040 -0.2175452587
2.0450000000 0.0011010907 -0.3954799564 -0.3169482049 -0.6283016341
0.9770000000 -0.0003101426 -0.0732558993 -0.0159749150 0.4241886575
0.4766000000 -0.0001743228 -0.0061600338 0.4957998068 1.7450512169
0.2185000000 -0.0004191457 -0.0086419404 0.5502198982 -0.8970414287
0.0975900000 -0.0000912518 -0.0021011099 0.1581023881 -0.7683501822
})
(type: [ am = p am = p am = p ]
{exp coef:0 coef:1 coef:2} = {
5266.0000000000 0.0000522613 0.0000134501 0.0000154652
1247.0000000000 0.0004635223 0.0001188809 0.0001408791
405.0000000000 0.0026409857 0.0006815660 0.0007845892
154.8000000000 0.0113168621 0.0029222411 0.0034675017
65.3800000000 0.0384702429 0.0100822376 0.0116099085
29.5900000000 0.1043389802 0.0277819341 0.0331206035
14.0400000000 0.2156829406 0.0593004576 0.0693083831
6.8240000000 0.3252583670 0.0911250782 0.1105846677
3.3690000000 0.3261796946 0.1004947289 0.1084933001
1.6660000000 0.1631472917 0.0122559698 0.0773246928
0.7681000000 0.0238968197 -0.2376634453 -0.7015469162
0.3504000000 0.0004741483 -0.4374524061 -0.4723029029
0.1556000000 0.0007366333 -0.3652713498 0.6913382861
0.0668100000 0.0000198570 -0.1137546274 0.4658323810
})
(type: [ (am = d puream = 1) ]
{exp coef:0} = {
5.0755000000 0.0251450138
2.1833000000 0.0247353053
0.9392000000 0.2922763872
0.4040000000 0.5461216262
0.1738000000 0.2745860461
})
]
chlorine: "ano-pVDZ": [
(type: [ am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3} = {
6410000.0000000000 0.0000018134 0.0000005314 0.0000000030 0.0000001698
959600.0000000000 0.0000141111 0.0000041356 0.0000000242 0.0000013020
218300.0000000000 0.0000742369 0.0000217541 0.0000001227 0.0000069960
61810.0000000000 0.0003141152 0.0000921099 0.0000005444 0.0000288036
20140.0000000000 0.0011463623 0.0003363575 0.0000018615 0.0001089500
7264.0000000000 0.0037386909 0.0011004694 0.0000064915 0.0003415483
2832.0000000000 0.0110940777 0.0032848588 0.0000171666 0.0010740420
1175.0000000000 0.0301135997 0.0090573809 0.0000496124 0.0027892591
512.6000000000 0.0739105226 0.0229428466 0.0000906845 0.0076251234
233.0000000000 0.1582493814 0.0525801453 0.0001672956 0.0161014859
109.5000000000 0.2747350951 0.1042883588 -0.0001520201 0.0362533789
52.8600000000 0.3340364624 0.1654622541 -0.0011870140 0.0504717507
25.8400000000 0.2175597801 0.1540218392 -0.0035702994 0.0667371854
12.1700000000 0.0457431155 -0.0738403143 0.0044587752 -0.0617185781
6.0300000000 -0.0000293391 -0.4640154060 0.0423049009 -0.1249324583
3.0120000000 0.0018350275 -0.5674793085 0.1729287178 -0.6046474562
1.5110000000 -0.0004445327 -0.1905085616 0.0799121551 -0.1783077760
0.6604000000 -0.0000776684 0.1231404358 -0.4305627967 2.1890408950
0.2926000000 -0.0004587124 0.1814151436 -0.5800768760 -0.8544231506
0.1254000000 -0.0000940595 0.0572888245 -0.1833322170 -0.8253035227
})
(type: [ am = p am = p am = p ]
{exp coef:0 coef:1 coef:2} = {
2548.0000000000 0.0002357017 0.0000639499 0.0000792628
603.7000000000 0.0020515799 0.0005569862 0.0007426379
195.6000000000 0.0111543331 0.0030474869 0.0037825549
74.1500000000 0.0439815972 0.0121470785 0.0163312278
30.9400000000 0.1299942320 0.0368757425 0.0460944074
13.6900000000 0.2729591832 0.0796346992 0.1119987183
6.2290000000 0.3836904520 0.1179864705 0.1292753470
2.8780000000 0.2918694533 0.0871432235 0.1725511490
1.2820000000 0.0704461278 -0.1421012819 -0.4628884187
0.5641000000 0.0012867770 -0.4276857233 -0.7987449671
0.2348000000 0.0018296711 -0.4434172620 0.6410531198
0.0931200000 0.0000163527 -0.1623961240 0.5328110609
})
(type: [ (am = d puream = 1) ]
{exp coef:0} = {
0.2500000000 0.3728907832
0.6180000000 0.5736769106
1.5290000000 0.1719760944
3.7810000000 0.0371180574
})
]
argon: "ano-pVDZ": [
(type: [ am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3} = {
9149000.0000000000 0.0000013427 0.0000003813 0.0000001196 -0.0000001367
1370000.0000000000 0.0000104386 0.0000029633 0.0000009295 -0.0000010740
311900.0000000000 0.0000548567 0.0000155803 0.0000048884 -0.0000055565
88650.0000000000 0.0002295828 0.0000651880 0.0000204455 -0.0000237565
29330.0000000000 0.0008103338 0.0002304322 0.0000723150 -0.0000816261
10930.0000000000 0.0024853413 0.0007074586 0.0002219097 -0.0002602096
4480.0000000000 0.0068369173 0.0019572963 0.0006147545 -0.0006861311
1962.0000000000 0.0176198815 0.0050856225 0.0015970984 -0.0018950399
894.1000000000 0.0428751718 0.0126528350 0.0039865334 -0.0044077494
419.6000000000 0.0954852872 0.0293064513 0.0092577792 -0.0111231815
202.3000000000 0.1850640043 0.0617712186 0.0197068769 -0.0215812668
99.8400000000 0.2890415368 0.1125407214 0.0364106866 -0.0450890638
50.0700000000 0.3101655965 0.1622931602 0.0543600462 -0.0582069373
25.1400000000 0.1721832194 0.1184119757 0.0412101400 -0.0607658119
11.8100000000 0.0285227179 -0.1461475119 -0.0557198596 0.1167192188
5.8820000000 -0.0005757381 -0.4977515049 -0.2389790991 0.2034650119
2.9390000000 0.0011812150 -0.4342396429 -0.3480660572 0.7215300226
1.4050000000 -0.0004805349 -0.0890745104 -0.0114046784 -0.4385972721
0.6963000000 0.0001888494 -0.0005380500 0.5088914666 -1.8449057279
0.3188000000 -0.0000972509 -0.0020403603 0.5484078881 1.0202646083
0.1410000000 0.0000174327 0.0000280176 0.1564441373 0.7094666949
})
(type: [ am = p am = p am = p ]
{exp coef:0 coef:1 coef:2} = {
7050.0000000000 0.0000501843 0.0000141163 0.0000181269
1669.0000000000 0.0004453650 0.0001249327 0.0001604674
542.1000000000 0.0025479973 0.0007189150 0.0009241383
207.1000000000 0.0110155237 0.0031134821 0.0040094773
87.5200000000 0.0378489764 0.0108614712 0.0140247320
39.6100000000 0.1043551933 0.0305213102 0.0396644574
18.7800000000 0.2193351507 0.0664087472 0.0883804352
9.1300000000 0.3346153067 0.1043355196 0.1325313304
4.5160000000 0.3267710198 0.1104812265 0.1419961135
2.2450000000 0.1481530147 -0.0132896226 -0.0015187742
1.0650000000 0.0192586150 -0.2782215414 -0.8792271203
0.4885000000 0.0005519368 -0.4348655739 -0.2138306098
0.2166000000 0.0001769246 -0.3375752082 0.7842254682
0.0925500000 -0.0000168555 -0.0952338864 0.2866213418
})
(type: [ (am = d puream = 1) ]
{exp coef:0} = {
7.6327000000 0.0279057812
3.2876000000 0.0293683713
1.4160000000 0.3030943731
0.6099000000 0.5422799268
0.2627000000 0.2640015406
})
]
)
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