/usr/share/mpqc/3.0.0-alpha/basis/saug-ano-pvtz.kv is in mpqc3-data 0.0~git20160216-1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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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: "saug-ano-pVTZ": [
(type: [ am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3} = {
402.0099000000 -0.0004429508 -0.0005857917 -0.0006083150 0.0005081779
60.2419600000 -0.0032507467 -0.0020963443 -0.0052483500 -0.0291166591
13.7321700000 -0.0181152250 -0.0304299021 -0.0254171128 0.0765649809
3.9045050000 -0.0636329998 -0.0288272025 -0.2376406403 -1.9672179407
1.2827090000 -0.2221636410 -0.7526945634 -1.7096583473 2.5936642480
0.4655440000 -0.4041047831 -0.5303060000 2.6789654303 -0.9960913706
0.1811200000 -0.3481081094 0.9524676196 -1.0333863147 -0.7436908584
0.0727910000 -0.0927213251 0.1944104297 -0.2486237019 0.8091653399
})
(type: [ am = p am = p ]
{exp coef:0 coef:1} = {
9.8800000000 0.0055312240 -0.0280600947
3.9500000000 0.0053232428 0.0343704220
1.5800000000 0.1503847471 -0.8940158660
0.6300000000 0.5829443939 -0.2472687692
0.2500000000 0.3399470552 0.8487826893
0.1000000000 0.0317494051 0.0228203559
})
(type: [ (am = d puream = 1) ]
{exp coef:0} = {
4.0000000000 0.0022011030
1.6000000000 -0.2782524806
0.6400000000 -0.6650428296
0.2600000000 -0.1748476192
})
]
helium: "saug-ano-pVTZ": [
(type: [ am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3} = {
4785.0000000000 0.0000603202 0.0000888731 0.0001287054 -0.0002489594
717.0000000000 0.0004684960 0.0006940214 0.0011477678 -0.0007030487
163.2000000000 0.0024501467 0.0036433971 0.0050983801 -0.0137663097
46.2600000000 0.0101553835 0.0157462582 0.0306322873 -0.0185762765
15.1000000000 0.0350340333 0.0614009646 0.1396159611 -0.5945112059
5.4370000000 0.0992797341 0.2414755099 0.8577184034 -0.9840908081
2.0880000000 0.2173871303 0.6119641323 0.0948064849 3.1172766756
0.8297000000 0.3472682167 0.1961329442 -1.7250507963 -2.4240004919
0.3366000000 0.3445578174 -0.7241642195 0.6542597771 0.0021405025
0.1369000000 0.1180260053 -0.3382814814 0.5294200911 0.7707466645
})
(type: [ am = p am = p ]
{exp coef:0 coef:1} = {
0.3870000000 0.2887442887 -0.6544173279
0.9840000000 0.5361342449 -0.2752308724
2.4980000000 0.2659020077 0.7993083208
6.3420000000 0.0400702083 0.2671653126
16.1040000000 0.0090385832 0.0310059145
})
(type: [ (am = d puream = 1) ]
{exp coef:0} = {
0.7470000000 0.4658429191
1.9100000000 0.5373435960
4.8860000000 0.1309421923
12.4980000000 0.0071350958
})
]
lithium: "saug-ano-pVTZ": [
(type: [ am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
70681.0000000000 0.0000053236 0.0000008577 0.0000080423 0.0000113754 0.0000133726 -0.0000209168
13594.0000000000 0.0000323747 0.0000052160 0.0000490032 0.0000711224 0.0000756946 -0.0000571933
3100.4000000000 0.0001879603 0.0000302866 0.0002842400 0.0004007287 0.0004841401 -0.0008459870
826.4600000000 0.0008712219 0.0001404588 0.0013265029 0.0019573837 0.0020812427 -0.0013052049
253.7600000000 0.0033836700 0.0005463525 0.0052097294 0.0076139906 0.0100559267 -0.0202280140
88.4510000000 0.0110494789 0.0017918661 0.0179882238 0.0317360413 0.0433918007 -0.0456523704
34.4930000000 0.0305955979 0.0050120074 0.0571974540 0.1342152644 0.3064786070 -0.7994118554
14.8310000000 0.0707341149 0.0118375809 0.1782581630 0.5842277718 1.0575659060 -0.7272323579
6.9299000000 0.1345557163 0.0233643106 0.4298970134 0.6806090172 -1.0991833942 4.0200032056
3.4678000000 0.2069615916 0.0381867406 0.4508658275 -1.0050986104 -1.6674164866 -3.1561321027
1.8316000000 0.2591085719 0.0536789047 -0.0371352880 -0.9446701880 1.4917681732 -1.5669083716
1.0063000000 0.2468661567 0.0683347487 -0.4872120993 0.0956130540 1.0852292354 2.1790360368
0.5667800000 0.1501162290 0.0749471861 -0.4627668553 0.6974621916 0.1520570200 1.8166726240
0.3225400000 0.0448272557 0.0592482250 -0.1601289845 0.3954658405 -1.5061905620 -2.1618556567
0.1827700000 0.0035755287 -0.0260749945 -0.0116236967 0.0714809958 -0.0611003405 -0.2259841853
0.1016400000 0.0003154609 -0.2220432444 0.0661103743 -0.0818978750 -0.0181349175 -0.0660830351
0.0546660000 0.0005366220 -0.4734515860 0.1351321962 -0.1598815920 0.3021729801 0.3161466055
0.0280250000 0.0004574244 -0.3620754465 0.1047064237 -0.1282750162 0.1814749968 0.1954713356
0.0134970000 0.0000471593 -0.0407343934 0.0116751457 -0.0141083238 0.0273741137 0.0326628905
})
(type: [ am = p am = p ]
{exp coef:0 coef:1} = {
28.5000000000 0.0189870192 0.0274718905
6.6400000000 0.3141072757 0.3090978049
1.9200000000 0.6617276623 0.3225036171
0.7700000000 0.0886066288 -0.3787691725
0.3200000000 0.1156570486 -0.4329780841
0.1500000000 -0.0647171322 -0.2896095144
0.0660000000 0.0269408101 -0.1054598002
0.0250000000 -0.0074775714 -0.0091887916
})
(type: [ (am = d puream = 1) ]
{exp coef:0} = {
1.7500000000 1.0034973970
0.3000000000 -0.0174235563
0.1100000000 0.0214475965
})
]
beryllium: "saug-ano-pVTZ": [
(type: [ am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
139330.0000000000 0.0000048137 0.0000008966 -0.0000013388 -0.0000023477 0.0000037276 -0.0000051278
26774.0000000000 0.0000292950 0.0000054566 -0.0000081449 -0.0000141798 0.0000236440 -0.0000338900
6112.0000000000 0.0001696534 0.0000316042 -0.0000472010 -0.0000829446 0.0001301583 -0.0001772468
1632.9000000000 0.0007837988 0.0001460945 -0.0002181144 -0.0003795818 0.0006406107 -0.0009282333
503.0300000000 0.0030296604 0.0005655948 -0.0008456379 -0.0014952726 0.0023250026 -0.0031554392
176.0300000000 0.0098688962 0.0018504976 -0.0027700998 -0.0048605475 0.0086388333 -0.0132523782
68.9390000000 0.0273158639 0.0051738207 -0.0078018669 -0.0144204026 0.0234898313 -0.0356672415
29.7680000000 0.0638839975 0.0123588076 -0.0188623345 -0.0359876745 0.0814968762 -0.1609112603
13.9630000000 0.1244755331 0.0250209252 -0.0393045895 -0.0871441173 0.1680416821 -0.2911917478
7.0090000000 0.1997945143 0.0429921324 -0.0686639537 -0.1382935381 0.3377403999 -0.4600993341
3.7094000000 0.2603024986 0.0640053839 -0.1016445025 -0.1829728831 -0.1638669536 1.0328625887
2.0392000000 0.2561166821 0.0837309282 -0.1297877375 -0.0817135288 0.8274445094 -3.5414757242
1.1472000000 0.1602238386 0.0886004427 -0.1780941635 -0.7363775005 -0.6558509371 11.8030339735
0.6507000000 0.0479172446 0.0453339368 -0.0475153109 1.7380426984 -5.1807336336 -15.8742871237
0.3665900000 0.0040519380 -0.0774503499 0.7220485366 1.6466592777 8.1394228171 7.6224133390
0.2021100000 0.0000553253 -0.2769575079 0.9937821087 -2.5871369088 -2.4710505273 3.2819422486
0.1074200000 -0.0000146329 -0.4532396096 -0.3707388758 -0.8177852807 -2.5089872856 -5.7358032246
0.0542310000 0.0000054228 -0.3011584730 -0.9022620370 1.2514210442 1.4779107748 2.1040068560
0.0256190000 0.0000000000 -0.0331442139 -0.1163652246 0.1967978149 0.2506885901 0.1687443682
})
(type: [ am = p am = p ]
{exp coef:0 coef:1} = {
45.7000000000 0.0005598577 0.0008862347
10.6000000000 0.0049230936 0.0306619409
3.0800000000 0.0198821499 0.0319215308
1.2300000000 0.0394518210 0.6318969865
0.5100000000 0.1630602437 -0.7695651726
0.2300000000 0.4111578133 -1.1409907121
0.1060000000 0.4429347544 1.4919251865
0.0400000000 0.0688676460 0.0091265087
})
(type: [ (am = d puream = 1) ]
{exp coef:0} = {
3.3500000000 0.0250099508
0.5700000000 -0.0916355551
0.2100000000 -0.9394094692
})
]
boron: "saug-ano-pVTZ": [
(type: [ am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
210400.0000000000 0.0000058419 0.0000011280 -0.0000015351 -0.0000021841 -0.0000034313 -0.0000036753
31500.0000000000 0.0000454146 0.0000087607 -0.0000119591 -0.0000156486 -0.0000165650 -0.0000356254
7169.0000000000 0.0002389029 0.0000461618 -0.0000627416 -0.0000925055 -0.0001642701 -0.0001339592
2030.0000000000 0.0010079000 0.0001945321 -0.0002659788 -0.0003342419 -0.0002650448 -0.0008667998
662.5000000000 0.0036529523 0.0007082580 -0.0009617749 -0.0014757077 -0.0029385495 -0.0018094999
239.2000000000 0.0117622375 0.0022868566 -0.0031373676 -0.0037751752 -0.0018059957 -0.0115654349
93.2600000000 0.0338828343 0.0067020510 -0.0091280070 -0.0148890871 -0.0338745619 -0.0175463280
38.6400000000 0.0857657026 0.0174065585 -0.0242286332 -0.0286407849 -0.0064035646 -0.1249642381
16.7800000000 0.1830564860 0.0397538712 -0.0553385063 -0.1044732073 -0.2872664522 -0.1471585281
7.5410000000 0.3066666848 0.0754768239 -0.1084827858 -0.1095604096 0.1881005838 -0.4530702707
3.4820000000 0.3420305417 0.1190307837 -0.1748472341 -0.4185836888 -1.4944364811 -0.5434071167
1.6180000000 0.1767395801 0.1092470410 -0.1931910158 0.1397561796 2.8349011974 4.2335247737
0.6270000000 0.0161871420 -0.1137525839 0.7386485838 2.4048770835 -0.5146516720 -8.3448176958
0.2934000000 -0.0072524426 -0.4401365807 0.9645338675 -2.2319225539 -3.4466118722 9.5853054683
0.1310000000 -0.0045661166 -0.4644885380 -0.8678854847 -0.8640371769 4.8050158396 -6.4542764763
0.0581500000 -0.0017393129 -0.1275880120 -0.5839131756 1.4552578987 -2.3584382381 2.2622350603
})
(type: [ am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3} = {
192.5000000000 0.0001348580 0.0001038119 0.0003902960 0.0010432059
45.6400000000 0.0011483171 0.0010029799 0.0035872388 0.0044632512
14.7500000000 0.0058428161 0.0044027503 0.0181614638 0.0536397550
5.5030000000 0.0210758283 0.0159590908 0.0780319375 0.1261613927
2.2220000000 0.0611960100 0.0140866372 0.2455412103 0.9883454010
0.9590000000 0.1530710758 0.2036025057 0.8296400722 -0.3582380255
0.4314000000 0.2943241620 0.6405610720 -0.2884445870 -1.6849406258
0.1969000000 0.3642704356 0.0138043328 -1.1575765444 2.1153985181
0.0903300000 0.2585309237 -0.7239551491 0.5478083327 -0.6270340821
0.0406600000 0.0717053089 -0.2861547514 0.3678908853 -0.3782393192
})
(type: [ (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1} = {
2.8860000000 0.0124864080 -0.0449367119
1.2670000000 0.0646166325 0.2536987512
0.5560000000 0.3523640343 0.8659247615
0.2440000000 0.4918272179 -0.4512434011
0.1070000000 0.2485231797 -0.5802493218
})
(type: [ (am = f puream = 1) ]
{exp coef:0} = {
1.6510000000 0.0261389620
0.8002000000 0.3045935590
0.3878000000 0.4978105649
0.1880000000 0.3215186188
})
]
carbon: "saug-ano-pVTZ": [
(type: [ am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
312100.0000000000 0.0000056888 0.0000011517 0.0000014615 -0.0000020729 -0.0000031477 -0.0000032996
46740.0000000000 0.0000442122 0.0000089401 0.0000113996 -0.0000152244 -0.0000156663 -0.0000334194
10640.0000000000 0.0002324717 0.0000471067 0.0000596491 -0.0000868378 -0.0001494472 -0.0001167391
3013.0000000000 0.0009813983 0.0001985305 0.0002537561 -0.0003294248 -0.0002585570 -0.0008243816
982.8000000000 0.0035604858 0.0007241159 0.0009151876 -0.0013722962 -0.0026575875 -0.0015100218
354.8000000000 0.0114692478 0.0023373031 0.0029997075 -0.0037795404 -0.0018759069 -0.0110709337
138.4000000000 0.0330825487 0.0068692727 0.0086902270 -0.0136469384 -0.0302307890 -0.0132108973
57.3500000000 0.0842739202 0.0179514067 0.0233513200 -0.0290748718 -0.0061619247 -0.1142804976
24.9200000000 0.1811835207 0.0414871653 0.0532963047 -0.0939954201 -0.2520314519 -0.1034115598
11.2300000000 0.3058726609 0.0795916232 0.1071421338 -0.1270398885 0.1288034970 -0.5615180443
5.2010000000 0.3428996624 0.1258249776 0.1715711640 -0.3903688653 -1.4325407433 -0.5737863671
2.4260000000 0.1785203122 0.1068228241 0.1810506143 0.0967690209 2.6528636797 4.5498793600
0.9673000000 0.0174929057 -0.1286390810 -0.6618969705 2.1831711797 -0.0348171778 -8.4613019809
0.4456000000 -0.0069381856 -0.4398665406 -0.9413749900 -1.6380587319 -3.9353705417 9.2208285366
0.1971000000 -0.0045895926 -0.4462025705 0.6896636760 -1.3661318212 4.9042834374 -6.0035420841
0.0863500000 -0.0017787010 -0.1396137797 0.7079116403 1.6011180083 -2.2872025967 2.0430806823
})
(type: [ am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3} = {
295.2000000000 0.0001429536 0.0001641191 0.0004063047 0.0009397883
69.9800000000 0.0012248907 0.0015014551 0.0035967590 0.0040845244
22.6400000000 0.0063589239 0.0073769191 0.0197550020 0.0492238842
8.4850000000 0.0235884808 0.0284317842 0.0825675839 0.1228405403
3.4590000000 0.0696777731 0.0674783713 0.2839301676 0.9228986017
1.5040000000 0.1664464149 0.2857591239 0.7770202553 -0.2970067634
0.6783000000 0.2933564994 0.5586074972 -0.4435648258 -1.7344708312
0.3087000000 0.3512017572 -0.0898519083 -1.0388445407 2.0684880734
0.1400000000 0.2563868868 -0.6546507650 0.5735322398 -0.4752113371
0.0617800000 0.0762169165 -0.2604391448 0.3869815823 -0.4799768181
})
(type: [ (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1} = {
4.5420000000 0.0143889048 -0.0007635462
1.9790000000 0.0713989420 0.3071489206
0.8621000000 0.3570760522 0.7744199003
0.3756000000 0.4803354126 -0.4242215167
0.1636000000 0.2551176449 -0.5691046088
})
(type: [ (am = f puream = 1) ]
{exp coef:0} = {
2.6310000000 0.0334914704
1.2550000000 0.2983549101
0.5988000000 0.5168396500
0.2857000000 0.3061330041
})
]
nitrogen: "saug-ano-pVTZ": [
(type: [ am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
432300.0000000000 0.0000055936 0.0000012377 0.0000013948 -0.0000020720 -0.0000030819 -0.0000032165
64700.0000000000 0.0000435138 0.0000096146 0.0000109071 -0.0000153930 -0.0000160444 -0.0000338076
14720.0000000000 0.0002289287 0.0000507014 0.0000569709 -0.0000865570 -0.0001449299 -0.0001111344
4170.0000000000 0.0009650171 0.0002132911 0.0002427563 -0.0003344672 -0.0002751497 -0.0008429306
1361.0000000000 0.0035021904 0.0007784594 0.0008723951 -0.0013599801 -0.0025504308 -0.0013798125
491.2000000000 0.0112921163 0.0025133634 0.0028758828 -0.0038661715 -0.0021954854 -0.0114235543
191.6000000000 0.0326128265 0.0073972480 0.0082942767 -0.0134702049 -0.0287697195 -0.0113165958
79.4100000000 0.0832972697 0.0193531475 0.0225053948 -0.0300266728 -0.0094239217 -0.1174824786
34.5300000000 0.1799856581 0.0449446014 0.0512093507 -0.0925316587 -0.2382691478 -0.0856959751
15.5800000000 0.3050035130 0.0862431945 0.1048497272 -0.1386151714 0.0832092990 -0.6528784300
7.2320000000 0.3411593117 0.1342509759 0.1644290239 -0.3824931664 -1.3710428890 -0.4187276033
3.3820000000 0.1774826966 0.1060138777 0.1710558715 0.0954870859 2.5810791286 4.4851289366
1.3690000000 0.0198840957 -0.1384170918 -0.5974990638 2.0469664361 0.0968375206 -8.3391702761
0.6248000000 -0.0012466348 -0.4391267599 -0.9102913983 -1.3008336658 -4.0287287838 8.9280058942
0.2747000000 0.0010401039 -0.4313435809 0.5234527691 -1.6185133598 4.8372747145 -5.7454717061
0.1192000000 -0.0001265860 -0.1507186091 0.8200521439 1.6426401236 -2.2039434874 1.9300932277
})
(type: [ am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3} = {
415.9000000000 0.0001493515 0.0001951090 0.0004162692 0.0009016300
98.6100000000 0.0012852780 0.0017570195 0.0036425363 0.0040954053
31.9200000000 0.0067482167 0.0089935233 0.0208775389 0.0480819490
12.0000000000 0.0254480843 0.0354017865 0.0869515693 0.1283088160
4.9190000000 0.0755743643 0.0970144192 0.3019545646 0.9013030259
2.1480000000 0.1758280802 0.3245625207 0.7481924316 -0.3256054513
0.9696000000 0.2962195131 0.5070185471 -0.5366016092 -1.6891698959
0.4399000000 0.3441099405 -0.1454680195 -0.9624028745 2.0246910129
0.1978000000 0.2503615773 -0.6201309743 0.5979386882 -0.4243076847
0.0860300000 0.0763931220 -0.2427206584 0.3812822948 -0.5129473213
})
(type: [ (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1} = {
6.7170000000 0.0153532025 0.0133057296
2.8960000000 0.0739377840 0.3124701443
1.2490000000 0.3611149183 0.7432037059
0.5380000000 0.4784008261 -0.3999521968
0.2320000000 0.2548775648 -0.5773663132
})
(type: [ (am = f puream = 1) ]
{exp coef:0} = {
3.8290000000 0.0362155054
1.7950000000 0.3001021670
0.8410000000 0.5301475088
0.3940000000 0.2930118022
})
]
oxygen: "saug-ano-pVTZ": [
(type: [ am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
570800.0000000000 0.0000055477 0.0000012619 -0.0000014956 -0.0000021012 -0.0000029655 -0.0000029095
85480.0000000000 0.0000431114 0.0000097942 -0.0000116782 -0.0000153046 -0.0000147549 -0.0000336853
19460.0000000000 0.0002266878 0.0000516082 -0.0000610049 -0.0000883188 -0.0001407929 -0.0000929766
5512.0000000000 0.0009564461 0.0002173760 -0.0002599662 -0.0003296065 -0.0002431714 -0.0008633138
1798.0000000000 0.0034734806 0.0007936340 -0.0009359729 -0.0014011800 -0.0025028798 -0.0010088651
648.9000000000 0.0111986722 0.0025636828 -0.0030816635 -0.0037697061 -0.0017543790 -0.0119513211
253.1000000000 0.0323902914 0.0075540649 -0.0089188306 -0.0140318733 -0.0284097461 -0.0062262482
104.9000000000 0.0828666917 0.0198252847 -0.0242145842 -0.0289525787 -0.0045223378 -0.1218457718
45.6500000000 0.1795999151 0.0462226113 -0.0555592008 -0.0982062901 -0.2359277366 -0.0342438172
20.6200000000 0.3052522946 0.0893623473 -0.1145275935 -0.1307408651 0.1015962191 -0.7677980771
9.5870000000 0.3409416044 0.1383434619 -0.1828853636 -0.4339939687 -1.4572638531 -0.2753089004
4.4930000000 0.1774628746 0.1051813067 -0.1753958431 0.1774273814 2.8423451082 4.3923045826
1.8370000000 0.0204404056 -0.1491659047 0.7138602082 2.1865884409 -0.4290488202 -8.2627346783
0.8349000000 -0.0011225476 -0.4435386388 0.8831041524 -1.8488602248 -3.5090199747 8.8803009927
0.3658000000 0.0009015503 -0.4304217683 -0.7228450116 -1.0626335267 4.6357036614 -5.7952609875
0.1570000000 -0.0001420890 -0.1392847630 -0.6629030498 1.4644411549 -2.2171415967 1.9811779654
})
(type: [ am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3} = {
525.6000000000 0.0001676631 0.0002041327 0.0003397509 0.0006843904
124.6000000000 0.0014434160 0.0017992162 0.0030597166 0.0038317526
40.3400000000 0.0075973289 0.0093549749 0.0166722601 0.0355035900
15.1800000000 0.0288049894 0.0361612981 0.0691106710 0.1042174544
6.2450000000 0.0849419814 0.1047852150 0.2246739298 0.6142436051
2.7320000000 0.1899631174 0.3132249093 0.6387770416 0.3171424964
1.2270000000 0.2990478650 0.4464833129 -0.2244503728 -1.6688331268
0.5492000000 0.3320569965 -0.1162190220 -0.9381963502 0.8102833643
0.2418000000 0.2419920846 -0.5398121590 0.1164759037 0.9250784484
0.1025000000 0.0836337245 -0.3468451765 0.7366445524 -1.0382066053
})
(type: [ (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1} = {
8.2530000000 0.0204005719 0.0253040956
3.5970000000 0.0941369585 0.3693832197
1.5680000000 0.3964770909 0.6505508649
0.6840000000 0.4553601610 -0.4116458521
0.2980000000 0.2204057295 -0.5804977663
})
(type: [ (am = f puream = 1) ]
{exp coef:0} = {
5.4300000000 0.0335228290
2.4160000000 0.2884311646
1.0750000000 0.5272437798
0.4780000000 0.3296607779
})
]
fluorine: "saug-ano-pVTZ": [
(type: [ am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
723500.0000000000 0.0000055553 0.0000013026 -0.0000015812 -0.0000022138 -0.0000030341 0.0000025151
108400.0000000000 0.0000431553 0.0000101077 -0.0000123348 -0.0000157194 -0.0000146552 0.0000367989
24680.0000000000 0.0002268882 0.0000532435 -0.0000644826 -0.0000939462 -0.0001449991 0.0000622450
6990.0000000000 0.0009575524 0.0002243797 -0.0002745547 -0.0003342040 -0.0002344373 0.0009963313
2282.0000000000 0.0034684130 0.0008168400 -0.0009873826 -0.0015031547 -0.0025901950 0.0002816193
824.6000000000 0.0111796501 0.0026390477 -0.0032450794 -0.0037496030 -0.0015488021 0.0143688877
321.8000000000 0.0323122990 0.0077680664 -0.0094085579 -0.0152245069 -0.0295179695 -0.0037610552
133.5000000000 0.0827520288 0.0204244295 -0.0255267961 -0.0282133583 -0.0018664288 0.1493186379
58.1100000000 0.1797788209 0.0477452371 -0.0590490461 -0.1087379605 -0.2467714274 -0.0610033962
26.2800000000 0.3053815712 0.0924737947 -0.1218295932 -0.1214794589 0.1148438357 1.0323431424
12.2400000000 0.3399668832 0.1419594377 -0.1971062346 -0.5124105037 -1.6055054380 -0.3005012328
5.7470000000 0.1764600805 0.1040673447 -0.1743133493 0.3089446266 3.4154513477 -3.6938473969
2.3650000000 0.0211818400 -0.1571528412 0.8011339277 2.3171309573 -1.5618842102 7.7504340882
1.0710000000 0.0002018100 -0.4453843402 0.8433478026 -2.4398848768 -2.3284146617 -8.7496670172
0.4681000000 0.0020122870 -0.4282969012 -0.8437666826 -0.4179981518 4.0351162515 6.0030240582
0.1994000000 0.0001869180 -0.1334229001 -0.5565415269 1.2155567456 -2.1130982804 -2.1476393117
})
(type: [ am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3} = {
660.0000000000 0.0001782292 0.0002343478 0.0003963333 0.0007833209
156.4000000000 0.0015363519 0.0020724260 0.0033830461 0.0037763934
50.6400000000 0.0081228434 0.0108206813 0.0196902218 0.0408246377
19.0800000000 0.0309453269 0.0423975838 0.0773666944 0.1079050538
7.8720000000 0.0908038263 0.1252617416 0.2753925619 0.7431426467
3.4490000000 0.1976141799 0.3557554018 0.6855839940 -0.0132316154
1.5450000000 0.3005906180 0.4260597814 -0.4987901060 -1.6641378963
0.6864000000 0.3264224499 -0.1962653428 -0.8786594053 1.4008139337
0.2986000000 0.2396685264 -0.5539365531 0.4221537048 0.2968198705
0.1245000000 0.0812040964 -0.2621522640 0.5253050835 -0.8343002415
})
(type: [ (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1} = {
10.5730000000 0.0227863167 0.0338687384
4.6130000000 0.1014701669 0.3932523552
2.0130000000 0.4106536839 0.6202921281
0.8780000000 0.4490885351 -0.4439737872
0.3830000000 0.2033548260 -0.5562789681
})
(type: [ (am = f puream = 1) ]
{exp coef:0} = {
7.5630000000 0.0256618573
3.3300000000 0.2724334030
1.4660000000 0.5429625432
0.6450000000 0.3335503239
})
]
neon: "saug-ano-pVTZ": [
(type: [ am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
902400.0000000000 0.0000055071 0.0000012963 -0.0000016115 -0.0000022775 -0.0000031420 0.0000019547
135100.0000000000 0.0000428234 0.0000100690 -0.0000125800 -0.0000158878 -0.0000151680 0.0000424196
30750.0000000000 0.0002251425 0.0000530405 -0.0000657939 -0.0000974546 -0.0001503810 0.0000159393
8710.0000000000 0.0009501602 0.0002235171 -0.0002799674 -0.0003344131 -0.0002422786 0.0012234004
2842.0000000000 0.0034471885 0.0008150559 -0.0010092608 -0.0015728981 -0.0026892122 -0.0008231571
1026.0000000000 0.0111254471 0.0026368822 -0.0033183047 -0.0037161454 -0.0016066023 0.0184875609
400.1000000000 0.0322056752 0.0077760083 -0.0096483669 -0.0160993168 -0.0307228721 -0.0190594849
165.9000000000 0.0825989133 0.0204887059 -0.0261882549 -0.0275130195 -0.0017462153 0.1972121998
72.2100000000 0.1799056420 0.0480966546 -0.0609198166 -0.1165045331 -0.2580587577 -0.2078230108
32.6600000000 0.3060520777 0.0935683962 -0.1260413906 -0.1142361471 0.1096407679 1.4607828808
15.2200000000 0.3401255836 0.1433560718 -0.2054888974 -0.5766119902 -1.7523261573 -1.2516770885
7.1490000000 0.1761682211 0.1021558762 -0.1719233603 0.4176357130 4.0496871089 -2.4914340355
2.9570000000 0.0210152784 -0.1629347673 0.8489060997 2.3884096204 -2.8024524730 6.7702358098
1.3350000000 -0.0005074379 -0.4466761688 0.8131694566 -2.8381924646 -0.9689744100 -8.2953675919
0.5816000000 0.0010578574 -0.4258625122 -0.9018536884 0.0497789435 3.2186609348 6.0811694353
0.2463000000 -0.0000598773 -0.1303062944 -0.4999251190 1.0151612410 -1.8922787526 -2.2975386617
})
(type: [ am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3} = {
815.6000000000 0.0001847705 0.0002554864 0.0004493493 0.0009085852
193.3000000000 0.0015941093 0.0022579163 0.0036446948 0.0039377448
62.6000000000 0.0084653531 0.0118809731 0.0225385482 0.0475825171
23.6100000000 0.0324030611 0.0469683102 0.0842160085 0.1216311614
9.7620000000 0.0947184717 0.1409600178 0.3254115521 0.9231187595
4.2810000000 0.2026241681 0.3822895707 0.7220346106 -0.4938976550
1.9150000000 0.3017949700 0.4049571155 -0.7514143816 -1.4687792863
0.8476000000 0.3231669759 -0.2487725194 -0.7615446193 1.9234694877
0.3660000000 0.2371385895 -0.5505559893 0.6360693889 -0.4608925716
0.1510000000 0.0791176295 -0.2146565483 0.3274811852 -0.4798695759
})
(type: [ (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1} = {
13.3170000000 0.0247658998 0.0402982534
5.8030000000 0.1068765548 0.4048604855
2.5290000000 0.4205406931 0.5998920244
1.1020000000 0.4449468742 -0.4614427842
0.4800000000 0.1908712837 -0.5440313566
})
(type: [ (am = f puream = 1) ]
{exp coef:0} = {
10.3560000000 0.0150197139
4.5380000000 0.2512426801
1.9890000000 0.5756220779
0.8710000000 0.3197084635
})
]
sodium: "saug-ano-pVTZ": [
(type: [ am = s am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6} = {
1918700.0000000000 0.0000027088 0.0000007485 0.0000001096 -0.0000009121 0.0000020318 0.0000033104 -0.0000031093
287270.0000000000 0.0000210578 0.0000058177 0.0000008513 -0.0000070597 0.0000161964 0.0000256365 -0.0000216309
65382.0000000000 0.0001107868 0.0000306178 0.0000044829 -0.0000373862 0.0000822300 0.0001358259 -0.0001334189
18523.0000000000 0.0004675326 0.0001292259 0.0000189095 -0.0001565746 0.0003647153 0.0005708687 -0.0004578485
6045.4000000000 0.0017013284 0.0004709708 0.0000689893 -0.0005770453 0.0012584616 0.0021220161 -0.0021958052
2184.2000000000 0.0055150746 0.0015307346 0.0002241299 -0.0018576772 0.0044759137 0.0070469285 -0.0055058525
853.1100000000 0.0162308700 0.0045412540 0.0006666895 -0.0056416232 0.0128756216 0.0234446589 -0.0269618618
354.6900000000 0.0431395655 0.0122699314 0.0018044493 -0.0153304856 0.0444201519 0.0817720804 -0.0807636628
155.3300000000 0.1014860232 0.0299593063 0.0044437500 -0.0400233925 0.1249910991 0.2854146311 -0.3800639019
71.2340000000 0.1993943053 0.0633214284 0.0094931411 -0.0843610950 0.2836318908 0.5009596172 -0.3287080998
33.8350000000 0.3087288958 0.1142954747 0.0176175702 -0.1526565277 0.1687893908 0.0216342694 0.1943339680
16.3490000000 0.3067052305 0.1541637857 0.0247238067 -0.2121931436 0.1879554186 -0.8183593516 2.2520219876
8.0082000000 0.1380881578 0.0893386546 0.0150685595 -0.1082608080 -0.8576041123 -1.2164771885 -2.2448534382
3.6713000000 0.0228929786 -0.1659774106 -0.0326908857 0.9474074884 -1.2541324249 2.2502339785 -1.8846594262
1.7118000000 0.0132950975 -0.4384235088 -0.0905675951 0.7691961289 1.9793554125 0.1357662428 5.5704754981
0.7914700000 0.0136239139 -0.4291049529 -0.1275950087 -0.9537883808 0.4183235618 -2.4514089720 -5.0570794688
0.3547900000 0.0037386766 -0.1293167239 -0.1221995181 -0.5979001026 -1.2659024909 1.5866471852 1.6624092790
0.0906640000 0.0000744574 0.0004404906 0.2666159471 0.0463503976 -0.2173944226 0.5430686832 1.1160580952
0.0443130000 -0.0000095217 -0.0024793949 0.5622463461 0.2186199667 0.4805607442 -0.7528198231 -1.2277114240
0.0219480000 0.0000213706 0.0009626429 0.2797583349 0.0803942641 0.0010385908 0.1037431269 0.2944664223
0.0108210000 -0.0000000000 -0.0004041010 0.0184296293 0.0098346670 0.0403416859 -0.0748371651 -0.1382660542
})
(type: [ am = p am = p ]
{exp coef:0 coef:1} = {
3044.2000000000 0.0000281041 0.0000422160
720.0200000000 0.0002565120 0.0003890985
234.4200000000 0.0014177652 0.0022214108
89.6660000000 0.0063916825 0.0103861947
36.6950000000 0.0231537137 0.0369679527
16.2560000000 0.0652632255 0.1020915363
7.6593000000 0.1440680587 0.2601454501
3.7125000000 0.2426572379 0.4512333146
1.7992000000 0.3066501458 0.1116118230
0.8628800000 0.2855229241 -0.4765918702
0.4010400000 0.1569049195 -0.4161525704
0.1775900000 0.0250223117 -0.0994949247
0.0807000000 0.0009795285 -0.0117309641
0.0367000000 0.0001433108 -0.0039101668
0.0167000000 0.0000382855 0.0002098260
})
(type: [ (am = d puream = 1) ]
{exp coef:0} = {
2.3500000000 0.8485363766
0.5600000000 0.2801219125
0.1400000000 -0.0151540850
})
]
magnesium: "saug-ano-pVTZ": [
(type: [ am = s am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6} = {
3199100.0000000000 0.0000017950 0.0000004537 0.0000000875 0.0000000280 0.0000000647 0.0000001079 -0.0000002761
479000.0000000000 0.0000139619 0.0000035256 0.0000006788 0.0000002395 0.0000004376 0.0000010150 -0.0000013730
109010.0000000000 0.0000734120 0.0000185673 0.0000035808 0.0000010945 0.0000028009 0.0000039993 -0.0000131129
30878.0000000000 0.0003103614 0.0000783671 0.0000150794 0.0000055492 0.0000090621 0.0000243706 -0.0000226189
10075.0000000000 0.0011295201 0.0002861870 0.0000552299 0.0000160017 0.0000457595 0.0000546379 -0.0002327859
3637.9000000000 0.0036825151 0.0009325269 0.0001793639 0.0000691337 0.0000986988 0.0003149431 -0.0001605936
1419.5000000000 0.0109059255 0.0027886571 0.0005388577 0.0001458382 0.0004763893 0.0004507351 -0.0026290311
589.3500000000 0.0295927497 0.0076392459 0.0014701301 0.0005991665 0.0007145585 0.0028424267 -0.0001895250
257.5300000000 0.0721890156 0.0193013967 0.0037442976 0.0009158278 0.0035949061 0.0023512994 -0.0216965460
117.1700000000 0.1552649528 0.0438512116 0.0084806778 0.0037456039 0.0032847741 0.0187308234 0.0089402317
54.7620000000 0.2727110821 0.0880107485 0.0173277526 0.0033686778 0.0191881365 0.0039131666 -0.1317144493
26.2880000000 0.3344487713 0.1372739709 0.0271678567 0.0148488419 0.0022781446 0.0831753455 0.1289568226
12.8600000000 0.2199168441 0.1369763624 0.0286523167 -0.0029418998 0.0566985070 -0.0623850426 -0.5304037430
6.2604000000 0.0496777160 -0.0420379328 -0.0104754726 0.0203771606 -0.0772645697 0.1807160630 0.9164237824
2.8514000000 0.0027601574 -0.3727875673 -0.0857137348 -0.0755531699 0.0766595026 -0.5093224705 -1.5952910598
1.3058000000 0.0008143242 -0.5190147633 -0.1685480845 0.0331803053 -0.3929458012 0.5300559584 4.7995122417
0.5833100000 0.0000760996 -0.2112102621 -0.1679893506 -0.2102622844 0.3208416733 -1.7492262740 -6.4244792807
0.1684900000 0.0000236754 -0.0027817880 0.2258424187 0.8016900862 -2.1814872063 7.8950043647 7.4294153649
0.0856460000 -0.0000206013 -0.0015874092 0.4543273830 -2.1344067866 8.0281545753 -12.3350302701 -8.0504744938
0.0450770000 0.0000110197 0.0014257844 0.3902252847 4.2379493487 -8.9223905776 8.0314071207 4.4677722334
0.0219340000 -0.0000027094 -0.0004188622 0.0848474620 -3.1742581236 3.1552746770 -2.0791489727 -1.0960111147
})
(type: [ am = p am = p ]
{exp coef:0 coef:1} = {
4157.8000000000 0.0000236086 0.0000014167
984.5300000000 0.0002172468 0.0000192918
320.0900000000 0.0012060672 0.0000735564
121.7300000000 0.0056165426 0.0004918818
49.8920000000 0.0202158577 0.0012531758
22.5420000000 0.0566094004 0.0051729321
10.7490000000 0.1300385273 0.0075510231
5.2899000000 0.2291317315 0.0236912477
2.5996000000 0.3145207710 0.0120432758
1.2518000000 0.3051945012 0.0526499427
0.5924600000 0.1535948983 -0.0400496777
0.2694100000 0.0225671416 0.0831726078
0.1225000000 0.0011363648 -0.3817442098
0.0557000000 0.0002596972 0.3581759158
0.0253000000 0.0000137661 -1.1158128170
})
(type: [ (am = d puream = 1) ]
{exp coef:0} = {
3.3600000000 0.0216295093
0.8000000000 0.0049738185
0.2000000000 0.9960022920
})
]
aluminum: "saug-ano-pVTZ": [
(type: [ am = s am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6} = {
3652000.0000000000 0.0000018637 0.0000004848 0.0000001107 0.0000001496 0.0000002061 -0.0000003363 0.0000005214
546800.0000000000 0.0000144635 0.0000037607 0.0000008591 0.0000011735 0.0000017153 -0.0000022639 0.0000030180
124500.0000000000 0.0000761824 0.0000198230 0.0000045255 0.0000060873 0.0000081490 -0.0000145803 0.0000237840
35440.0000000000 0.0003158235 0.0000821362 0.0000187694 0.0000257771 0.0000387797 -0.0000455533 0.0000543386
11840.0000000000 0.0010973874 0.0002859936 0.0000652773 0.0000871996 0.0001118472 -0.0002274899 0.0003940892
4434.0000000000 0.0033697098 0.0008789728 0.0002009878 0.0002783642 0.0004371204 -0.0004231901 0.0003900264
1812.0000000000 0.0093221881 0.0024496839 0.0005592223 0.0007395216 0.0008870741 -0.0021680090 0.0040275471
791.5000000000 0.0237993006 0.0063137218 0.0014463830 0.0020256318 0.0033529949 -0.0024625545 0.0010791241
361.0000000000 0.0568193211 0.0154946400 0.0035455988 0.0046422363 0.0051703822 -0.0153280862 0.0302884759
169.5000000000 0.1224688474 0.0349794080 0.0080644174 0.0114436286 0.0200182998 -0.0108183653 -0.0025239503
81.6800000000 0.2238975904 0.0708150170 0.0163827254 0.0211580673 0.0208212154 -0.0832372229 0.1771019040
40.2800000000 0.3134446769 0.1194903762 0.0282463510 0.0414650571 0.0817328395 -0.0064290717 -0.1098458240
20.2500000000 0.2749772585 0.1489285897 0.0359202031 0.0435211688 0.0153743546 -0.2924930770 0.7296308630
10.2300000000 0.1105733913 0.0590936008 0.0151042507 0.0324891435 0.1376098151 0.3148888831 -1.1663428270
4.8020000000 0.0119196229 -0.2167547776 -0.0605797083 -0.1196504024 -0.4141414401 -0.1844575591 1.4431539151
2.3390000000 0.0006369322 -0.4769006098 -0.1508458697 -0.1600031964 0.2147209157 1.7412863330 -6.1808452623
1.1630000000 0.0004487692 -0.3764545105 -0.2197750427 -0.5198351326 -2.0927076649 -1.0568114048 12.6988673829
0.5882000000 -0.0000380120 -0.0870507052 -0.0945734630 0.1665990524 3.5139060536 -2.9456892236 -12.2612551247
0.2311000000 0.0000593791 -0.0012553997 0.4009096114 1.8438321393 -0.8395895195 6.1140050797 8.2825106589
0.1027000000 0.0000587612 0.0022755184 0.6098385480 -0.8377239912 -2.1906843624 -5.8986517845 -5.2409286023
0.0452100000 0.0000261452 0.0005978034 0.1812425049 -0.7637343604 1.8376241172 2.4830074680 1.7437331181
})
(type: [ am = p am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4} = {
2884.0000000000 0.0000638513 0.0000120316 0.0000142841 0.0000238482 0.0000678979
683.2000000000 0.0005636181 0.0001068310 0.0001360566 0.0001942814 0.0001351730
222.0000000000 0.0031720969 0.0005990995 0.0007115502 0.0011880114 0.0033735428
84.8200000000 0.0132523750 0.0025255848 0.0032161490 0.0045989411 0.0032684875
35.8100000000 0.0433836653 0.0082911461 0.0097360249 0.0163337058 0.0496465827
16.2200000000 0.1120603104 0.0218958429 0.0278786993 0.0382089444 0.0125441898
7.7020000000 0.2180142757 0.0430126547 0.0498714840 0.0942740455 0.3550965184
3.7410000000 0.3119431736 0.0633327606 0.0877150859 0.1110426891 -0.2245376033
1.8310000000 0.3169439761 0.0677298350 0.0707128658 0.1908934527 1.2594290015
0.8878000000 0.1789251325 0.0417050279 0.1575376271 0.1369332131 -2.8090222248
0.3989000000 0.0309903761 -0.1302636002 -0.4809779769 -1.8722530557 1.6948368887
0.1718000000 0.0001206735 -0.4202655134 -0.8348210970 1.6516107117 0.5752445478
0.0729800000 0.0006689449 -0.4498469253 0.7149805981 0.2220423910 -1.7338125203
0.0306900000 -0.0001263149 -0.1544401658 0.4861292394 -0.8236450391 1.1454069900
})
(type: [ (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1} = {
2.2143000000 0.0178097303 0.0081280932
0.9449000000 0.0104024313 -0.0780708823
0.4032000000 0.2594736718 0.8755073302
0.1721000000 0.5570493165 0.0740558985
0.0734300000 0.3064913572 -0.9045955390
})
(type: [ (am = f puream = 1) ]
{exp coef:0} = {
0.8756000000 -0.0156499578
0.4472000000 0.2903045341
0.2284000000 0.4536392079
0.1167000000 0.3917011935
})
]
silicon: "saug-ano-pVTZ": [
(type: [ am = s am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6} = {
4465000.0000000000 0.0000017473 0.0000004656 0.0000001174 0.0000001544 0.0000002050 -0.0000003457 0.0000004738
668500.0000000000 0.0000135737 0.0000036154 0.0000009117 0.0000012097 0.0000016473 -0.0000023141 0.0000029353
152200.0000000000 0.0000714074 0.0000190351 0.0000047979 0.0000062868 0.0000082479 -0.0000150206 0.0000211525
43300.0000000000 0.0002972583 0.0000791894 0.0000199725 0.0000266189 0.0000367054 -0.0000465539 0.0000559903
14410.0000000000 0.0010382833 0.0002772083 0.0000698666 0.0000910384 0.0001174087 -0.0002370515 0.0003448376
5394.0000000000 0.0031746754 0.0008481095 0.0002140131 0.0002872714 0.0004040679 -0.0004276750 0.0004573102
2212.0000000000 0.0087324958 0.0023503240 0.0005925740 0.0007656291 0.0009612055 -0.0022524769 0.0034126648
968.1000000000 0.0223831560 0.0060769746 0.0015361117 0.0020810559 0.0030005173 -0.0024477229 0.0020435991
441.2000000000 0.0537277388 0.0149870123 0.0037888605 0.0048593425 0.0059515591 -0.0160183300 0.0251655648
207.1000000000 0.1166496266 0.0340090641 0.0086522181 0.0118522651 0.0175729444 -0.0107202959 0.0056352762
99.8000000000 0.2159801909 0.0695329490 0.0177881630 0.0226106642 0.0267914016 -0.0881864960 0.1458693476
49.2400000000 0.3095683722 0.1191292035 0.0310894097 0.0438278795 0.0691625792 -0.0080984289 -0.0443629792
24.7400000000 0.2839493584 0.1538141850 0.0411817036 0.0504887020 0.0504674095 -0.3220368958 0.5983403530
12.4700000000 0.1222386085 0.0705550699 0.0198252138 0.0362050687 0.0844721410 0.3384022838 -0.9238805279
5.7950000000 0.0141879507 -0.2133828413 -0.0661548777 -0.1270928643 -0.2942164003 -0.1669423517 1.0310610659
2.8300000000 0.0002860923 -0.4923372859 -0.1800558890 -0.2001256711 -0.1272357349 1.9646361142 -5.6520587428
1.4070000000 0.0005809654 -0.3795188177 -0.2586501325 -0.5742179324 -1.5982515759 -1.7004680150 12.7286263638
0.6995000000 -0.0001362624 -0.0760495636 -0.0634512383 0.3055779655 3.5088049039 -2.8361090797 -14.1382867718
0.3083000000 0.0001132324 0.0002918897 0.4458147628 1.7987083339 -1.0992028759 6.6175217647 10.5710586131
0.1385000000 0.0000583027 0.0022699407 0.5867135228 -0.8746987215 -2.2412805449 -6.1480922278 -6.1628328409
0.0614500000 0.0000334760 0.0007920933 0.1713355928 -0.7519397942 1.9071138893 2.5299605620 1.9647977342
})
(type: [ am = p am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4} = {
3572.0000000000 0.0000598101 0.0000130489 0.0000157401 0.0000300647 0.0000622747
846.0000000000 0.0005290197 0.0001153341 0.0001447401 0.0002019631 0.0002981073
274.8000000000 0.0029927264 0.0006545621 0.0007900959 0.0015081670 0.0031335729
105.0000000000 0.0126203482 0.0027679638 0.0034753084 0.0048865849 0.0074308334
44.3500000000 0.0418585003 0.0092817285 0.0111422064 0.0217118781 0.0472059608
20.0800000000 0.1101297267 0.0248181605 0.0310943218 0.0416318863 0.0640128696
9.5300000000 0.2185746699 0.0504241847 0.0607776749 0.1359243112 0.3184040413
4.6340000000 0.3174806034 0.0744168937 0.0978451850 0.0944419852 0.0021590931
2.2800000000 0.3193308887 0.0817489341 0.0962138762 0.3177488798 0.8136898971
1.1160000000 0.1714145959 0.0308043509 0.1239530560 -0.2729942959 -2.7898873543
0.4991000000 0.0272061913 -0.1781724925 -0.6357752212 -1.6466097242 2.4751646946
0.2254000000 -0.0003246500 -0.4297428083 -0.6602065294 1.9401066733 -0.3192064050
0.1001000000 0.0008254369 -0.4115302182 0.7632107906 -0.0999669875 -1.2987258366
0.0433200000 -0.0001201983 -0.1316751465 0.4370191772 -0.7318449301 1.0435997897
})
(type: [ (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1} = {
3.2386000000 0.0197751361 0.0047324796
1.3767000000 0.0150954672 -0.0963416463
0.5853000000 0.2572361186 0.8702035508
0.2488000000 0.5560472315 0.1002739841
0.1058000000 0.3081147567 -0.9214189416
})
(type: [ (am = f puream = 1) ]
{exp coef:0} = {
1.3510000000 -0.0131724073
0.6600000000 0.2474597385
0.3225000000 0.5293164377
0.1575000000 0.3562072296
})
]
phosphorous: "saug-ano-pVTZ": [
(type: [ am = s am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6} = {
5384000.0000000000 0.0000016457 0.0000004469 0.0000001233 0.0000001526 0.0000002017 -0.0000003487 0.0000004516
806200.0000000000 0.0000127815 0.0000034695 0.0000009570 0.0000011946 0.0000015901 -0.0000023248 0.0000028765
183600.0000000000 0.0000672065 0.0000182569 0.0000050356 0.0000062114 0.0000081822 -0.0000151631 0.0000199557
52250.0000000000 0.0002797109 0.0000759386 0.0000209489 0.0000262588 0.0000350779 -0.0000466071 0.0000559284
17390.0000000000 0.0009766998 0.0002657236 0.0000732948 0.0000899315 0.0001179139 -0.0002397638 0.0003218581
6523.0000000000 0.0029683492 0.0008080453 0.0002229871 0.0002814550 0.0003782505 -0.0004210720 0.0004722209
2687.0000000000 0.0081239977 0.0022273283 0.0006147004 0.0007481310 0.0009740148 -0.0022627945 0.0031167633
1178.0000000000 0.0209200106 0.0057833199 0.0015982748 0.0020348735 0.0027560811 -0.0023966118 0.0023747485
536.2000000000 0.0505590328 0.0143437812 0.0039699165 0.0048018560 0.0062251053 -0.0161768744 0.0228231977
251.5000000000 0.1104791033 0.0327060584 0.0090937104 0.0117025222 0.0160328102 -0.0105739287 0.0088299263
121.3000000000 0.2069569123 0.0673715266 0.0188701405 0.0226723683 0.0293865348 -0.0899977549 0.1324114254
59.8800000000 0.3047373414 0.1176471371 0.0335159167 0.0443417480 0.0624183676 -0.0105759693 -0.0156006277
30.0500000000 0.2929523106 0.1572798118 0.0461471119 0.0542824195 0.0694862147 -0.3395797314 0.5507809622
15.1200000000 0.1355607116 0.0838541752 0.0256075836 0.0413471455 0.0623982686 0.3395149878 -0.8183687762
7.0100000000 0.0173207816 -0.1997171854 -0.0673395749 -0.1274586979 -0.2222763088 -0.1528101726 0.8389700154
3.4410000000 -0.0000351698 -0.4986030336 -0.2038094414 -0.2161431174 -0.3277686050 2.0754864980 -5.3805150967
1.7120000000 0.0008032620 -0.3898171231 -0.2883032752 -0.5952197935 -1.2659961520 -1.9740350030 12.5600731183
0.8337000000 -0.0002438395 -0.0743425810 -0.0407361705 0.3712623750 3.3580397583 -2.9263787651 -15.2155529802
0.3912000000 0.0000987220 -0.0007367752 0.4713076887 1.7272055910 -1.0193956105 7.0501965798 12.1366860020
0.1777000000 -0.0000512279 -0.0009261894 0.5659660071 -0.8075089899 -2.4607237219 -6.3490572177 -6.7569830682
0.0793900000 0.0000100911 0.0000000000 0.1702693605 -0.8027687020 1.9996496274 2.5477771003 2.0875223450
})
(type: [ am = p am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4} = {
4552.0000000000 0.0000519530 0.0000125053 0.0000155755 0.0000299529 0.0000561663
1078.0000000000 0.0004604024 0.0001106415 0.0001422935 0.0001996742 0.0003082340
350.1000000000 0.0026208164 0.0006324495 0.0007886088 0.0015148645 0.0028517349
133.8000000000 0.0111872441 0.0027051340 0.0034835891 0.0049567751 0.0078827196
56.5200000000 0.0378228974 0.0092564586 0.0115313768 0.0226188204 0.0443929003
25.5800000000 0.1021163975 0.0254006335 0.0327400156 0.0452278279 0.0764746347
12.1400000000 0.2103137453 0.0537628786 0.0676387623 0.1495691160 0.3087334849
5.9020000000 0.3173823797 0.0825945281 0.1100021755 0.1160589965 0.0828942509
2.9100000000 0.3271640365 0.0926223095 0.1118379956 0.3290175161 0.6641373643
1.4350000000 0.1776869820 0.0309116256 0.1082446644 -0.3924085811 -2.8057807693
0.6570000000 0.0293588218 -0.1930952447 -0.6884915103 -1.5315937173 2.7468974888
0.3005000000 -0.0000752283 -0.4363625520 -0.5895119846 1.9633920738 -0.5912657300
0.1340000000 0.0006795891 -0.4008800592 0.7746977189 -0.1686624408 -1.1582810042
0.0578300000 -0.0001259461 -0.1220492925 0.4128842454 -0.7134121876 1.0097718307
})
(type: [ (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1} = {
4.3008000000 0.0212636418 -0.0010126574
1.8346000000 0.0188050678 -0.1034761325
0.7826000000 0.2647976295 0.8914468081
0.3339000000 0.5535103472 0.0694034624
0.1424000000 0.3004340001 -0.9131456221
})
(type: [ (am = f puream = 1) ]
{exp coef:0} = {
1.8160000000 -0.0126043063
0.8806000000 0.2459544396
0.4270000000 0.5491262846
0.2070000000 0.3363334805
})
]
sulfur: "saug-ano-pVTZ": [
(type: [ am = s am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6} = {
6297000.0000000000 0.0000015921 0.0000004382 0.0000001350 0.0000001515 0.0000002175 -0.0000003537 0.0000004239
943100.0000000000 0.0000123599 0.0000034001 0.0000010473 0.0000011864 0.0000017014 -0.0000022186 0.0000029533
214900.0000000000 0.0000649159 0.0000178707 0.0000055054 0.0000061554 0.0000088365 -0.0000156897 0.0000180982
61250.0000000000 0.0002693326 0.0000741041 0.0000228258 0.0000259766 0.0000372408 -0.0000423991 0.0000605693
20450.0000000000 0.0009346034 0.0002576639 0.0000793897 0.0000882303 0.0001267345 -0.0002530285 0.0002782111
7719.0000000000 0.0028081493 0.0007746516 0.0002386496 0.0002737658 0.0003923294 -0.0003377330 0.0005665839
3198.0000000000 0.0076736278 0.0021312954 0.0006570998 0.0007237910 0.0010410141 -0.0024327681 0.0025253641
1402.0000000000 0.0198887182 0.0055689211 0.0017175837 0.0019883683 0.0028512138 -0.0016295615 0.0035969622
637.2000000000 0.0482561629 0.0138537158 0.0042826970 0.0046884897 0.0067679204 -0.0178221351 0.0179568714
298.9000000000 0.1057504175 0.0316453111 0.0098118258 0.0114963962 0.0165725289 -0.0049843994 0.0186732740
144.3000000000 0.2002096787 0.0656714009 0.0205253893 0.0223354902 0.0326736745 -0.1021067082 0.1014150904
71.2100000000 0.3007047557 0.1163667541 0.0368719010 0.0445622770 0.0651357654 0.0186567725 0.0497549609
35.7300000000 0.2986548787 0.1591288761 0.0519727886 0.0556857997 0.0850063621 -0.4099629591 0.4092649090
17.9700000000 0.1463267075 0.0941285220 0.0318049495 0.0465569275 0.0624786338 0.4578417433 -0.5273696195
8.3410000000 0.0201597202 -0.1869455747 -0.0692984997 -0.1262555207 -0.2344979072 -0.4628513460 0.2691559085
4.1120000000 -0.0001027048 -0.5017349200 -0.2299302040 -0.2175452587 -0.4090533612 2.9046910626 -4.4127379800
2.0450000000 0.0011010907 -0.3954799564 -0.3169482049 -0.6283016341 -1.2528100846 -3.5079811920 11.4989816413
0.9770000000 -0.0003101426 -0.0732558993 -0.0159749150 0.4241886575 3.9386872408 -1.2958829987 -15.4513801494
0.4766000000 -0.0001743228 -0.0061600338 0.4957998068 1.7450512169 -1.9634316309 6.1028742525 13.3555982564
0.2185000000 -0.0004191457 -0.0086419404 0.5502198982 -0.8970414287 -1.8355947721 -6.0642270602 -7.4995867074
0.0975900000 -0.0000912518 -0.0021011099 0.1581023881 -0.7683501822 1.7827651294 2.5373502024 2.3404983629
})
(type: [ am = p am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4} = {
5266.0000000000 0.0000522613 0.0000134501 0.0000154652 0.0000261265 0.0000472865
1247.0000000000 0.0004635223 0.0001188809 0.0001408791 0.0001831142 0.0002300594
405.0000000000 0.0026409857 0.0006815660 0.0007845892 0.0013237518 0.0023962232
154.8000000000 0.0113168621 0.0029222411 0.0034675017 0.0045596034 0.0058935190
65.3800000000 0.0384702429 0.0100822376 0.0116099085 0.0199287095 0.0370985605
29.5900000000 0.1043389802 0.0277819341 0.0331206035 0.0428388835 0.0560642489
14.0400000000 0.2156829406 0.0593004576 0.0693083831 0.1310204730 0.2682120361
6.8240000000 0.3252583670 0.0911250782 0.1105846677 0.1141021004 0.0380989111
3.3690000000 0.3261796946 0.1004947289 0.1084933001 0.2824872816 0.6181938317
1.6660000000 0.1631472917 0.0122559698 0.0773246928 -0.3619757334 -2.0645061533
0.7681000000 0.0238968197 -0.2376634453 -0.7015469162 -1.2922486103 1.1062650376
0.3504000000 0.0004741483 -0.4374524061 -0.4723029029 1.4371629676 1.3088468043
0.1556000000 0.0007366333 -0.3652713498 0.6913382861 0.4007309084 -2.4272305524
0.0668100000 0.0000198570 -0.1137546274 0.4658323810 -1.0014972170 1.4291669425
})
(type: [ (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1} = {
5.0755000000 0.0251450138 -0.0034219833
2.1833000000 0.0247353053 -0.0685076016
0.9392000000 0.2922763872 0.9010768772
0.4040000000 0.5461216262 -0.0118517043
0.1738000000 0.2745860461 -0.8849727408
})
(type: [ (am = f puream = 1) ]
{exp coef:0} = {
1.3222000000 0.0748384273
0.7319000000 0.4165506000
0.4051000000 0.3451685431
0.2243000000 0.3002791153
})
]
chlorine: "saug-ano-pVTZ": [
(type: [ am = s am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6} = {
6410000.0000000000 0.0000018134 0.0000005314 0.0000000030 0.0000001698 -0.0000002454 0.0000002600 -0.0000002872
959600.0000000000 0.0000141111 0.0000041356 0.0000000242 0.0000013020 -0.0000017038 0.0000024949 -0.0000046759
218300.0000000000 0.0000742369 0.0000217541 0.0000001227 0.0000069960 -0.0000105333 0.0000095394 -0.0000060347
61810.0000000000 0.0003141152 0.0000921099 0.0000005444 0.0000288036 -0.0000358464 0.0000603692 -0.0001290009
20140.0000000000 0.0011463623 0.0003363575 0.0000018615 0.0001089500 -0.0001710464 0.0001289623 0.0000028591
7264.0000000000 0.0037386909 0.0011004694 0.0000064915 0.0003415483 -0.0003995626 0.0007878202 -0.0018846991
2832.0000000000 0.0110940777 0.0032848588 0.0000171666 0.0010740420 -0.0017689839 0.0010435252 0.0011586789
1175.0000000000 0.0301135997 0.0090573809 0.0000496124 0.0027892591 -0.0029990509 0.0071956118 -0.0191404289
512.6000000000 0.0739105226 0.0229428466 0.0000906845 0.0076251234 -0.0133610420 0.0053196412 0.0187610351
233.0000000000 0.1582493814 0.0525801453 0.0001672956 0.0161014859 -0.0149230657 0.0488209718 -0.1462607058
109.5000000000 0.2747350951 0.1042883588 -0.0001520201 0.0362533789 -0.0714207934 0.0066859406 0.1866940065
52.8600000000 0.3340364624 0.1654622541 -0.0011870140 0.0504717507 -0.0238172309 0.2274808947 -0.8238119058
25.8400000000 0.2175597801 0.1540218392 -0.0035702994 0.0667371854 -0.2061927692 -0.1682646033 1.3249211055
12.1700000000 0.0457431155 -0.0738403143 0.0044587752 -0.0617185781 0.3578970532 0.4917346127 -3.4450111510
6.0300000000 -0.0000293391 -0.4640154060 0.0423049009 -0.1249324583 -0.3577280432 -1.6897218253 10.6416289810
3.0120000000 0.0018350275 -0.5674793085 0.1729287178 -0.6046474562 2.6924701253 -0.7196676198 -17.2794314191
1.5110000000 -0.0004445327 -0.1905085616 0.0799121551 -0.1783077760 -3.9540969440 5.8577706280 15.5625663592
0.6604000000 -0.0000776684 0.1231404358 -0.4305627967 2.1890408950 0.6262331788 -8.2740591089 -9.6736346378
0.2926000000 -0.0004587124 0.1814151436 -0.5800768760 -0.8544231506 2.5843599682 6.5685251886 5.0095314691
0.1254000000 -0.0000940595 0.0572888245 -0.1833322170 -0.8253035227 -1.9044798894 -2.5271393034 -1.4807207749
})
(type: [ am = p am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4} = {
2548.0000000000 0.0002357017 0.0000639499 0.0000792628 0.0001077266 0.0002197740
603.7000000000 0.0020515799 0.0005569862 0.0007426379 0.0010272250 0.0007818433
195.6000000000 0.0111543331 0.0030474869 0.0037825549 0.0051645255 0.0106383005
74.1500000000 0.0439815972 0.0121470785 0.0163312278 0.0228840699 0.0172358419
30.9400000000 0.1299942320 0.0368757425 0.0460944074 0.0651495253 0.1497687221
13.6900000000 0.2729591832 0.0796346992 0.1119987183 0.1620792145 0.0781907272
6.2290000000 0.3836904520 0.1179864705 0.1292753470 0.1608737681 0.6187884668
2.8780000000 0.2918694533 0.0871432235 0.1725511490 0.2854448087 -0.9770086078
1.2820000000 0.0704461278 -0.1421012819 -0.4628884187 -1.7256993596 -0.8552528712
0.5641000000 0.0012867770 -0.4276857233 -0.7987449671 1.1337070246 2.7354653623
0.2348000000 0.0018296711 -0.4434172620 0.6410531198 0.7415976309 -2.8289492517
0.0931200000 0.0000163527 -0.1623961240 0.5328110609 -1.0475106715 1.4210421531
})
(type: [ (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1} = {
0.2500000000 0.3728907832 -1.0387870410
0.6180000000 0.5736769106 0.4428723678
1.5290000000 0.1719760944 0.6549212715
3.7810000000 0.0371180574 -0.0895377154
})
(type: [ (am = f puream = 1) ]
{exp coef:0} = {
0.3200000000 0.3304730660
0.6560000000 0.5388098289
1.3450000000 0.2567793816
})
]
argon: "saug-ano-pVTZ": [
(type: [ am = s am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6} = {
9149000.0000000000 0.0000013427 0.0000003813 0.0000001196 -0.0000001367 0.0000002027 -0.0000003293 0.0000003452
1370000.0000000000 0.0000104386 0.0000029633 0.0000009295 -0.0000010740 0.0000015917 -0.0000018877 0.0000026058
311900.0000000000 0.0000548567 0.0000155803 0.0000048884 -0.0000055565 0.0000082454 -0.0000150571 0.0000142904
88650.0000000000 0.0002295828 0.0000651880 0.0000204455 -0.0000237565 0.0000351960 -0.0000341674 0.0000564905
29330.0000000000 0.0008103338 0.0002304322 0.0000723150 -0.0000816261 0.0001212004 -0.0002550029 0.0002151918
10930.0000000000 0.0024853413 0.0007074586 0.0002219097 -0.0002602096 0.0003853461 -0.0002409141 0.0005990865
4480.0000000000 0.0068369173 0.0019572963 0.0006147545 -0.0006861311 0.0010202625 -0.0026145930 0.0018866047
1962.0000000000 0.0176198815 0.0050856225 0.0015970984 -0.0018950399 0.0028076686 -0.0005645308 0.0042078267
894.1000000000 0.0428751718 0.0126528350 0.0039865334 -0.0044077494 0.0065790981 -0.0196857873 0.0127715126
419.6000000000 0.0954852872 0.0293064513 0.0092577792 -0.0111231815 0.0165651285 0.0024650308 0.0245476328
202.3000000000 0.1850640043 0.0617712186 0.0197068769 -0.0215812668 0.0326566656 -0.1171495345 0.0703815446
99.8400000000 0.2890415368 0.1125407214 0.0364106866 -0.0450890638 0.0682935031 0.0567279069 0.0980188586
50.0700000000 0.3101655965 0.1622931602 0.0543600462 -0.0582069373 0.0931850677 -0.5085459238 0.2878674750
25.1400000000 0.1721832194 0.1184119757 0.0412101400 -0.0607658119 0.0892905674 0.6075583185 -0.2201499979
11.8100000000 0.0285227179 -0.1461475119 -0.0557198596 0.1167192188 -0.2510363395 -0.9040757906 -0.1275869717
5.8820000000 -0.0005757381 -0.4977515049 -0.2389790991 0.2034650119 -0.3897714652 3.9348718301 -4.0555237790
2.9390000000 0.0011812150 -0.4342396429 -0.3480660572 0.7215300226 -1.5121815194 -4.9930331276 11.2889364476
1.4050000000 -0.0004805349 -0.0890745104 -0.0114046784 -0.4385972721 4.5898285938 0.2529061904 -15.7662048897
0.6963000000 0.0001888494 -0.0005380500 0.5088914666 -1.8449057279 -2.7289064028 4.9468763592 13.9540130720
0.3188000000 -0.0000972509 -0.0020403603 0.5484078881 1.0202646083 -1.3248076648 -5.5081469231 -7.8700116705
0.1410000000 0.0000174327 0.0000280176 0.1564441373 0.7094666949 1.5940922166 2.4081698078 2.4930828604
})
(type: [ am = p am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4} = {
7050.0000000000 0.0000501843 0.0000141163 0.0000181269 0.0000343626 0.0000431562
1669.0000000000 0.0004453650 0.0001249327 0.0001604674 0.0002030576 0.0003915534
542.1000000000 0.0025479973 0.0007189150 0.0009241383 0.0017464185 0.0022272548
207.1000000000 0.0110155237 0.0031134821 0.0040094773 0.0051788717 0.0100621568
87.5200000000 0.0378489764 0.0108614712 0.0140247320 0.0270262790 0.0358198284
39.6100000000 0.1043551933 0.0305213102 0.0396644574 0.0507693530 0.1103683120
18.7800000000 0.2193351507 0.0664087472 0.0883804352 0.1933756399 0.2543344739
9.1300000000 0.3346153067 0.1043355196 0.1325313304 0.1015726509 0.2443973897
4.5160000000 0.3267710198 0.1104812265 0.1419961135 0.4355928575 0.2358457918
2.2450000000 0.1481530147 -0.0132896226 -0.0015187742 -0.9855080991 -2.7521614546
1.0650000000 0.0192586150 -0.2782215414 -0.8792271203 -0.8432102702 3.6399411687
0.4885000000 0.0005519368 -0.4348655739 -0.2138306098 2.0212689369 -1.8330864728
0.2166000000 0.0001769246 -0.3375752082 0.7842254682 -0.6689038659 -0.3384327962
0.0925500000 -0.0000168555 -0.0952338864 0.2866213418 -0.4774954241 0.7948349959
})
(type: [ (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1} = {
7.6327000000 0.0279057812 -0.0032892550
3.2876000000 0.0293683713 -0.0701912500
1.4160000000 0.3030943731 0.9235793714
0.6099000000 0.5422799268 -0.0616176285
0.2627000000 0.2640015406 -0.8648720787
})
(type: [ (am = f puream = 1) ]
{exp coef:0} = {
3.0582000000 -0.0106008451
1.5292000000 0.3045834586
0.7647000000 0.5423443185
0.3824000000 0.2771750082
})
]
)
|