QuantumPackage/data/basis/aug-cc-pv5z_ecp_bfd

NEON
S 9
  1 0.205835      0.057514
  2 0.391384      0.215776
  3 0.744196      0.374799
  4 1.415048      0.326313
  5 2.690638      0.166383
  6 5.116103      -0.039149
  7 9.727994      -0.085909
  8 18.497256      0.006816
  9 35.171534      0.000206
S 1
  1 0.318678      1.000000
S 1
  1 0.830178      1.000000
S 1
  1 1.591904      1.000000
S 1
  1 2.744999      1.000000
P 9
  1 0.121772      0.029943
  2 0.238248      0.114200
  3 0.466136      0.219618
  4 0.912002      0.268864
  5 1.784344      0.256932
  6 3.491095      0.191378
  7 6.830378      0.112176
  8 13.363732      0.063317
  9 26.146332      0.008057
P 1
  1 0.218226      1.000000
P 1
  1 0.636921      1.000000
P 1
  1 1.888191      1.000000
P 1
  1 3.020108      1.000000
D 1
  1 0.654924      1.000000
D 1
  1 1.931502      1.000000
D 1
  1 5.027566      1.000000
D 1
  1 6.989700      1.000000
F 1
  1 1.314297      1.000000
F 1
  1 4.065928      1.000000
F 1
  1 5.587487      1.000000
G 1
  1 2.070925      1.000000
G 1
  1 6.073107      1.000000
H 1
  1 3.743118      1.000000
S   1
  1      0.0957000              1.0000000        
P   1
  1      0.0654000              1.0000000        
D   1
  1      0.2130000              1.0000000        
F   1
  1      0.4250000              1.0000000        
G   1
  1      0.8090000              1.0000000        
H   1
  1      1.6280000              1.0000000

BORON
S 9
  1 0.040569      0.032031
  2 0.081044      0.243317
  3 0.161898      0.434636
  4 0.323418      0.329581
  5 0.646080      0.111875
  6 1.290648      -0.078699
  7 2.578276      -0.098781
  8 5.150520      0.016164
  9 10.288990      -0.000016
S 1
  1 0.070664      1.000000
S 1
  1 0.170896      1.000000
S 1
  1 0.375720      1.000000
S 1
  1 0.614105      1.000000
P 9
  1 0.029207      0.019909
  2 0.058408      0.141775
  3 0.116803      0.294463
  4 0.233582      0.309028
  5 0.467115      0.236378
  6 0.934132      0.131317
  7 1.868068      0.066454
  8 3.735743      0.021248
  9 7.470701      0.002837
P 1
  1 0.057917      1.000000
P 1
  1 0.143772      1.000000
P 1
  1 0.436327      1.000000
P 1
  1 0.566611      1.000000
D 1
  1 0.134838      1.000000
D 1
  1 0.380163      1.000000
D 1
  1 0.808233      1.000000
D 1
  1 1.022256      1.000000
F 1
  1 0.272717      1.000000
F 1
  1 0.799174      1.000000
F 1
  1 1.002171      1.000000
G 1
  1 0.486131      1.000000
G 1
  1 0.824366      1.000000
H 1
  1 0.632779      1.000000
S   1
  1      0.0261000              1.0000000        
P   1
  1      0.0157000              1.0000000        
D   1
  1      0.0431000              1.0000000        
F   1
  1      0.0843000              1.0000000        
G   1
  1      0.2020000              1.0000000        
H   1
  1      0.3840000              1.0000000

ALUMINUM
S 9
  1 0.045518      0.206193
  2 0.100308      0.559887
  3 0.221051      0.407852
  4 0.487132      -0.041098
  5 1.073500      -0.238652
  6 2.365686      0.038132
  7 5.213294      -0.003935
  8 11.488606      0.000470
  9 25.317597      -0.000014
S 1
  1 0.056415      1.000000
S 1
  1 0.155063      1.000000
S 1
  1 0.332041      1.000000
S 1
  1 0.725343      1.000000
P 9
  1 0.014848      0.009932
  2 0.030967      0.160212
  3 0.064586      0.389171
  4 0.134700      0.373235
  5 0.280932      0.195800
  6 0.585913      0.022947
  7 1.221985      -0.053293
  8 2.548578      0.004846
  9 5.315330      -0.000726
P 1
  1 0.033949      1.000000
P 1
  1 0.083154      1.000000
P 1
  1 0.251360      1.000000
P 1
  1 0.314422      1.000000
D 1
  1 0.088651      1.000000
D 1
  1 0.241216      1.000000
D 1
  1 0.575129      1.000000
D 1
  1 0.989127      1.000000
F 1
  1 0.148598      1.000000
F 1
  1 0.374850      1.000000
F 1
  1 0.781006      1.000000
G 1
  1 0.259548      1.000000
G 1
  1 0.561381      1.000000
H 1
  1 0.328731      1.000000
S   1
  1      0.0177000              1.0000000        
P   1
  1      0.0115000              1.0000000        
D   1
  1      0.0294000              1.0000000        
F   1
  1      0.0509000              1.0000000        
G   1
  1      0.1069000              1.0000000        
H   1
  1      0.2270000              1.0000000

NITROGEN
S 9
  1 0.098869      0.067266
  2 0.211443      0.334290
  3 0.452197      0.454257
  4 0.967080      0.267861
  5 2.068221      0.000248
  6 4.423150      -0.132606
  7 9.459462      0.014437
  8 20.230246      0.000359
  9 43.264919      -0.000094
S 1
  1 0.115320      1.000000
S 1
  1 0.286632      1.000000
S 1
  1 0.702011      1.000000
S 1
  1 1.532221      1.000000
P 9
  1 0.073234      0.035758
  2 0.145867      0.153945
  3 0.290535      0.277656
  4 0.578683      0.297676
  5 1.152612      0.234403
  6 2.295756      0.140321
  7 4.572652      0.067219
  8 9.107739      0.031594
  9 18.140657      0.003301
P 1
  1 0.120601      1.000000
P 1
  1 0.322697      1.000000
P 1
  1 0.978538      1.000000
P 1
  1 1.272759      1.000000
D 1
  1 0.305579      1.000000
D 1
  1 0.891436      1.000000
D 1
  1 1.542532      1.000000
D 1
  1 2.798122      1.000000
F 1
  1 0.587676      1.000000
F 1
  1 1.592967      1.000000
F 1
  1 2.443045      1.000000
G 1
  1 1.038637      1.000000
G 1
  1 2.842018      1.000000
H 1
  1 2.272542      1.000000
S   1
  1      0.0518000              1.0000000        
P   1
  1      0.0369000              1.0000000        
D   1
  1      0.0971000              1.0000000        
F   1
  1      0.1920000              1.0000000        
G   1
  1      0.4360000              1.0000000        
H   1
  1      0.7880000              1.0000000

FLUORINE
S 9
  1 0.172723      0.070240
  2 0.364875      0.311088
  3 0.770795      0.444675
  4 1.628295      0.287011
  5 3.439757      0.018759
  6 7.266451      -0.128608
  7 15.350300      0.009104
  8 32.427348      0.000810
  9 68.502433      -0.000133
S 1
  1 0.191146      1.000000
S 1
  1 0.459697      1.000000
S 1
  1 1.250265      1.000000
S 1
  1 2.542428      1.000000
P 9
  1 0.101001      0.035321
  2 0.204414      0.136924
  3 0.413707      0.249353
  4 0.837289      0.286620
  5 1.694565      0.254541
  6 3.429580      0.169572
  7 6.941026      0.088542
  8 14.047737      0.039843
  9 28.430799      0.003378
P 1
  1 0.170574      1.000000
P 1
  1 0.489019      1.000000
P 1
  1 1.505085      1.000000
P 1
  1 2.018698      1.000000
D 1
  1 0.517711      1.000000
D 1
  1 1.523306      1.000000
D 1
  1 3.901897      1.000000
D 1
  1 5.603581      1.000000
F 1
  1 0.981494      1.000000
F 1
  1 2.950321      1.000000
F 1
  1 4.297889      1.000000
G 1
  1 1.638933      1.000000
G 1
  1 4.619953      1.000000
H 1
  1 2.963127      1.000000
S   1
  1      0.0806000              1.0000000        
P   1
  1      0.0550000              1.0000000        
D   1
  1      0.1720000              1.0000000        
F   1
  1      0.3310000              1.0000000        
G   1
  1      0.6630000              1.0000000        
H   1
  1      1.3260000              1.0000000

CHLORINE
S 9
  1 0.119944      0.148917
  2 0.257348      0.503616
  3 0.552157      0.523995
  4 1.184691      0.013612
  5 2.541836      -0.328846
  6 5.453681      0.056309
  7 11.701243      -0.001301
  8 25.105812      -0.000294
  9 53.866226      0.000076
S 1
  1 0.152049      1.000000
S 1
  1 0.639110      1.000000
S 1
  1 0.801438      1.000000
S 1
  1 1.671380      1.000000
P 9
  1 0.074374      0.084925
  2 0.155084      0.270658
  3 0.323378      0.396022
  4 0.674303      0.324325
  5 1.406043      0.100661
  6 2.931855      -0.069802
  7 6.113450      -0.000951
  8 12.747651      0.001501
  9 26.581165      -0.000249
P 1
  1 0.103926      1.000000
P 1
  1 0.275582      1.000000
P 1
  1 0.667436      1.000000
P 1
  1 1.171614      1.000000
D 1
  1 0.237419      1.000000
D 1
  1 0.729517      1.000000
D 1
  1 0.924049      1.000000
D 1
  1 1.522182      1.000000
F 1
  1 0.335123      1.000000
F 1
  1 0.789116      1.000000
F 1
  1 1.609975      1.000000
G 1
  1 0.576133      1.000000
G 1
  1 1.402971      1.000000
H 1
  1 1.099609      1.000000
S   1
  1      0.0479000              1.0000000        
P   1
  1      0.0348000              1.0000000        
D   1
  1      0.1003000              1.0000000        
F   1
  1      0.1640000              1.0000000        
G   1
  1      0.2770000              1.0000000        
H   1
  1      0.6070000              1.0000000

CARBON
S 9
  1 0.051344      0.013991
  2 0.102619      0.169852
  3 0.205100      0.397529
  4 0.409924      0.380369
  5 0.819297      0.180113
  6 1.637494      -0.033512
  7 3.272791      -0.121499
  8 6.541187      0.015176
  9 13.073594      -0.000705
S 1
  1 0.098302      1.000000
S 1
  1 0.232034      1.000000
S 1
  1 0.744448      1.000000
S 1
  1 1.009914      1.000000
P 9
  1 0.029281      0.001787
  2 0.058547      0.050426
  3 0.117063      0.191634
  4 0.234064      0.302667
  5 0.468003      0.289868
  6 0.935757      0.210979
  7 1.871016      0.112024
  8 3.741035      0.054425
  9 7.480076      0.021931
P 1
  1 0.084047      1.000000
P 1
  1 0.216618      1.000000
P 1
  1 0.576869      1.000000
P 1
  1 1.006252      1.000000
D 1
  1 0.206619      1.000000
D 1
  1 0.606933      1.000000
D 1
  1 1.001526      1.000000
D 1
  1 1.504882      1.000000
F 1
  1 0.400573      1.000000
F 1
  1 1.099564      1.000000
F 1
  1 1.501091      1.000000
G 1
  1 0.797648      1.000000
G 1
  1 1.401343      1.000000
H 1
  1 1.001703      1.000000
S   1
  1      0.0394000              1.0000000        
P   1
  1      0.0272000              1.0000000        
D   1
  1      0.0701000              1.0000000        
F   1
  1      0.1380000              1.0000000        
G   1
  1      0.3190000              1.0000000        
H   1
  1      0.5860000              1.0000000

OXYGEN
S 9
  1 0.125346      0.055741
  2 0.268022      0.304848
  3 0.573098      0.453752
  4 1.225429      0.295926
  5 2.620277      0.019567
  6 5.602818      -0.128627
  7 11.980245      0.012024
  8 25.616801      0.000407
  9 54.775216      -0.000076
S 1
  1 0.160664      1.000000
S 1
  1 0.384526      1.000000
S 1
  1 0.935157      1.000000
S 1
  1 1.937532      1.000000
P 9
  1 0.083598      0.044958
  2 0.167017      0.150175
  3 0.333673      0.255999
  4 0.666627      0.281879
  5 1.331816      0.242835
  6 2.660761      0.161134
  7 5.315785      0.082308
  8 10.620108      0.039899
  9 21.217318      0.004679
P 1
  1 0.130580      1.000000
P 1
  1 0.372674      1.000000
P 1
  1 1.178227      1.000000
P 1
  1 1.589967      1.000000
D 1
  1 0.401152      1.000000
D 1
  1 1.174596      1.000000
D 1
  1 2.823972      1.000000
D 1
  1 4.292433      1.000000
F 1
  1 0.708666      1.000000
F 1
  1 2.006788      1.000000
F 1
  1 3.223721      1.000000
G 1
  1 1.207657      1.000000
G 1
  1 3.584495      1.000000
H 1
  1 2.615818      1.000000
S   1
  1      0.0655000              1.0000000        
P   1
  1      0.0446000              1.0000000        
D   1
  1      0.1310000              1.0000000        
F   1
  1      0.2370000              1.0000000        
G   1
  1      0.5170000              1.0000000        
H   1
  1      1.0240000              1.0000000

HYDROGEN
S 9
  1 0.013000      0.000706
  2 0.029900      -0.002119
  3 0.068770      0.057693
  4 0.158170      0.230695
  5 0.363792      0.277612
  6 0.836721      0.169833
  7 1.924458      0.097443
  8 4.426254      0.029966
  9 10.180385      -0.000452
S 1
  1 0.122344      1.000000
S 1
  1 0.402892      1.000000
S 1
  1 0.715047      1.000000
S 1
  1 1.379838      1.000000
P 9
  1 0.003000      0.001242
  2 0.007800      -0.000913
  3 0.020281      -0.000054
  4 0.052730      -0.000238
  5 0.137097      -0.011530
  6 0.356451      -0.018235
  7 0.926774      -0.013929
  8 2.409612      -0.009395
  9 6.264991      -0.000347
P 1
  1 0.784765      1.000000
P 1
  1 0.173606      1.000000
P 1
  1 0.513665      1.000000
D 1
  1 2.917388      1.000000
D 1
  1 0.466379      1.000000
D 1
  1 1.132171      1.000000
F 1
  1 1.649608      1.000000
F 1
  1 0.793185      1.000000
G 1
  1 1.606813      1.000000
S   1
  1      0.0207000              1.0000000        
P   1
  1      0.0744000              1.0000000        
D   1
  1      0.1560000              1.0000000        
F   1
  1      0.2740000              1.0000000        
G   1
  1      0.5430000              1.0000000

PHOSPHORUS
S 9
  1 0.074718      0.140225
  2 0.160834      0.506746
  3 0.346202      0.499893
  4 0.745215      0.037301
  5 1.604109      -0.284591
  6 3.452917      0.024766
  7 7.432561      0.001798
  8 15.998924      -0.000314
  9 34.438408      0.000088
S 1
  1 0.082092      1.000000
S 1
  1 0.195525      1.000000
S 1
  1 0.434767      1.000000
S 1
  1 1.027573      1.000000
P 9
  1 0.050242      0.072095
  2 0.102391      0.278735
  3 0.208669      0.411034
  4 0.425256      0.304724
  5 0.866651      0.091727
  6 1.766191      -0.057060
  7 3.599410      -0.005103
  8 7.335418      0.000328
  9 14.949217      -0.000046
P 1
  1 0.074159      1.000000
P 1
  1 0.189382      1.000000
P 1
  1 0.470798      1.000000
P 1
  1 0.815677      1.000000
D 1
  1 0.167800      1.000000
D 1
  1 0.457307      1.000000
D 1
  1 1.021650      1.000000
D 1
  1 1.598720      1.000000
F 1
  1 0.214751      1.000000
F 1
  1 0.482380      1.000000
F 1
  1 0.984966      1.000000
G 1
  1 0.406484      1.000000
G 1
  1 0.924507      1.000000
H 1
  1 0.831913      1.000000
S   1
  1      0.0335000              1.0000000        
P   1
  1      0.0253000              1.0000000        
D   1
  1      0.0624000              1.0000000        
F   1
  1      0.0950000              1.0000000        
G   1
  1      0.1840000              1.0000000        
H   1
  1      0.3720000              1.0000000

SILICON
S 9
  1 0.059887      0.167492
  2 0.130108      0.532550
  3 0.282668      0.464290
  4 0.614115      -0.002322
  5 1.334205      -0.268234
  6 2.898645      0.031921
  7 6.297493      -0.000106
  8 13.681707      -0.000145
  9 29.724387      0.000067
S 1
  1 0.075500      1.000000
S 1
  1 0.196459      1.000000
S 1
  1 0.424036      1.000000
S 1
  1 0.920486      1.000000
P 9
  1 0.036525      0.078761
  2 0.076137      0.308331
  3 0.158712      0.417773
  4 0.330843      0.281676
  5 0.689658      0.069876
  6 1.437625      -0.056306
  7 2.996797      0.000744
  8 6.246966      -0.000259
  9 13.022097      -0.000022
P 1
  1 0.048136      1.000000
P 1
  1 0.115813      1.000000
P 1
  1 0.238594      1.000000
P 1
  1 0.496918      1.000000
D 1
  1 0.127945      1.000000
D 1
  1 0.353096      1.000000
D 1
  1 0.805426      1.000000
D 1
  1 1.247695      1.000000
F 1
  1 0.172876      1.000000
F 1
  1 0.402208      1.000000
F 1
  1 0.833081      1.000000
G 1
  1 0.299885      1.000000
G 1
  1 0.647054      1.000000
H 1
  1 0.557542      1.000000
S   1
  1      0.0260000              1.0000000        
P   1
  1      0.0192000              1.0000000        
D   1
  1      0.0468000              1.0000000        
F   1
  1      0.0735000              1.0000000        
G   1
  1      0.1510000              1.0000000        
H   1
  1      0.3230000              1.0000000

ARGON
S 9
  1 0.147347      0.155473
  2 0.312164      0.494617
  3 0.661339      0.526705
  4 1.401090      0.021986
  5 2.968301      -0.338533
  6 6.288539      0.056023
  7 13.322677      -0.000115
  8 28.224956      -0.000595
  9 59.796402      0.000127
S 1
  1 0.189594      1.000000
S 1
  1 0.778040      1.000000
S 1
  1 0.971266      1.000000
S 1
  1 1.979612      1.000000
P 9
  1 0.090580      0.079101
  2 0.188085      0.260718
  3 0.390548      0.395065
  4 0.810953      0.334954
  5 1.683902      0.107462
  6 3.496535      -0.073657
  7 7.260371      -0.001407
  8 15.075781      0.001710
  9 31.304069      -0.000275
P 1
  1 0.133916      1.000000
P 1
  1 0.356186      1.000000
P 1
  1 0.833562      1.000000
P 1
  1 1.430927      1.000000
D 1
  1 0.268113      1.000000
D 1
  1 0.697753      1.000000
D 1
  1 1.185366      1.000000
D 1
  1 2.118102      1.000000
F 1
  1 0.422461      1.000000
F 1
  1 0.973776      1.000000
F 1
  1 2.020616      1.000000
G 1
  1 0.695217      1.000000
G 1
  1 1.690111      1.000000
H 1
  1 1.258944      1.000000
S   1
  1      0.0538000              1.0000000        
P   1
  1      0.0402000              1.0000000        
D   1
  1      0.1210000              1.0000000        
F   1
  1      0.2090000              1.0000000        
G   1
  1      0.3340000              1.0000000        
H   1
  1      0.7420000              1.0000000

SULFUR
S 9
  1 0.095120      0.140074
  2 0.202385      0.490942
  3 0.430611      0.515297
  4 0.916203      0.050320
  5 1.949388      -0.298908
  6 4.147674      0.019827
  7 8.824926      0.007266
  8 18.776623      -0.001602
  9 39.950656      0.000271
S 1
  1 0.113918      1.000000
S 1
  1 0.282790      1.000000
S 1
  1 0.626702      1.000000
S 1
  1 1.338226      1.000000
P 9
  1 0.057087      0.081938
  2 0.115901      0.251826
  3 0.235305      0.376344
  4 0.477723      0.320902
  5 0.969889      0.143779
  6 1.969099      -0.045543
  7 3.997726      -0.017191
  8 8.116307      0.002580
  9 16.477979      -0.000222
P 1
  1 0.079101      1.000000
P 1
  1 0.210632      1.000000
P 1
  1 0.522537      1.000000
P 1
  1 0.924454      1.000000
D 1
  1 0.186546      1.000000
D 1
  1 0.462328      1.000000
D 1
  1 0.955579      1.000000
D 1
  1 2.334308      1.000000
F 1
  1 0.274343      1.000000
F 1
  1 0.661568      1.000000
F 1
  1 1.389533      1.000000
G 1
  1 0.486698      1.000000
G 1
  1 1.166495      1.000000
H 1
  1 0.839494      1.000000
S   1
  1      0.0420000              1.0000000        
P   1
  1      0.0294000              1.0000000        
D   1
  1      0.0794000              1.0000000        
F   1
  1      0.1188000              1.0000000        
G   1
  1      0.2200000              1.0000000        
H   1
  1      0.4720000              1.0000000

HELIUM
S 9
  1 0.077786      0.012425
  2 0.161528      0.128251
  3 0.335425      0.282221
  4 0.696535      0.292427
  5 1.446408      0.215025
  6 3.003576      0.125450
  7 6.237154      0.064912
  8 12.951926      0.038892
  9 26.895662      0.002531
S 1
  1 1.324312      1.000000
S 1
  1 0.876976      1.000000
S 1
  1 0.294075      1.000000
S 1
  1 0.116506      1.000000
P 8
  1 0.228528      -0.000116
  2 0.422019      2.116950
  3 0.779333      -2.182954
  4 1.439180      1.545850
  5 2.657706      -0.879477
  6 4.907934      0.469710
  7 9.063386      -0.224631
  8 16.737180      0.098422
P 1
  1 6.741009      1.000000
P 1
  1 2.647340      1.000000
P 1
  1 0.893850      1.000000
D 1
  1 1.842278      1.000000
D 1
  1 2.175208      1.000000
D 1
  1 4.285515      1.000000
F 1
  1 0.749734      1.000000
F 1
  1 1.632074      1.000000
G 1
  1 0.623669      1.000000
S   1
  1      0.0466400              1.0000000        
P   1
  1      0.1400000              1.0000000        
D   1
  1      0.2892000              1.0000000        
F   1
  1      0.5345000              1.0000000        
G   1
  1      0.7899000              1.0000000