c ******************* BasisLib *********************
c This is a library file which contains gaussian
c atomic orbital basis sets for Hydrogen - Neon.
c 
c The basis sets available to choose from are:
c 
c   1.) STO3G by Hehre, Stewart, and Pople
c                JCP, 51, 2657 (1969)
c   2.) 3-21G by Brinkley, Pople, and Hehre
c                JACS, 102, 939 (1980)
c   3.) [3s2p] by Dunning and Hay in:
c                 Modern Theoretical Chemistry Vol 3
c                 Henry F. Schaefer III, Editor
c                 1977, Plenum Press, NY
c
c Copyright (C) 1992 Jeff Nichols and Jack Simons
c
c **************************************************
H_STO3G 
(3s/1s)       STO-3G    Hehre, Stewart, & Pople  JCP 51, 2657 (1969)
  1
  3  0
  3.4252510E+00  1.5432900E-01
  6.2391400E-01  5.3532800E-01
  1.6885500E-01  4.4463500E-01
H_3-21G 
(3s/2s)       -21G     Binkley,Pople,Hehre JACS 102,939(1980)
  2
  2  0
  5.4471780E+00  1.5628500E-01 
  8.2454700E-01  9.0469100E-01
  1  0
  1.8319200E-01  1.0000000E+00 
H_DH32  
(4s/2s)       Dunning, JCP 53, 2823 (1970)   (scaled)
  2  
  3  0
  1.9240600E+01  3.2828000E-02
  2.8992000E+00  2.3120800E-01
  6.5340000E-01  8.1723800E-01
  1  0
  1.7760000E-01  1.0000000E+00
He_STO3G
(3s/1s)       STO-3G    Hehre,Stewart,&Pople  JCP 51,2657(1969)
  1
  3  0
  6.3624210E+00  1.5432900E-01
  1.1589230E+00  5.3532800E-01
  3.1365000E-01  4.4463500E-01
He_3-21G
(3s/2s) -21G  Binkley, Pople, Hehre  JACS 102, 939 (1980).
  2
  2  0
  13.626700   0.175230
  1.999350    0.893483
  1  0
  0.382993    1.000000
Li_STO3G
(6s3p/2s1p)   STO-3G    Hehre, Stewart, & Pople, JCP 51, 2657 (1969)
  3
  3  0
  1.6119575E+01  1.5432900E-01
  2.9362010E+00  5.3532800E-01
  7.9465000E-01  4.4463500E-01
  3  0
  6.3629000E-01 -9.9967000E-02
  1.4786000E-01  3.9951300E-01
  4.8089000E-02  7.0011500E-01
  3  1
  6.3629000E-01  1.5591600E-01
  1.4786000E-01  6.0768400E-01
  4.8089000E-02  3.9195700E-01
Li_3-21G
(6s3p/3s2p) 3-21G  Binkley, Pople, Hehre  JACS 102, 939 (1980).
  5
  3   0
  36.838200   0.069669
  5.481720    0.381346
  1.113270    0.681702
  2   0
  0.540205   -0.263127   
  0.102255    1.143390    
  1   0
  0.028565    1.000000
  2   1
  0.540205    0.161546
  0.102255    0.915663
  1   1
  0.028565    1.000000
Be_STO3G
(6s3p/2s1p)   STO-3G    Hehre, Stewart, & Pople, JCP 51, 2657 (1969)
  3
  3  0
  3.0167871E+01  1.5432900E-01
  5.4951150E+00  5.3532800E-01
  1.4871930E+00  4.4463500E-01
  3  0
  1.3148330E+00 -9.9967000E-02
  3.0553900E-01  3.9951300E-01
  9.9371000E-02  7.0011500E-01
  3  1
  1.3148330E+00  1.5591600E-01
  3.0553900E-01  6.0768400E-01
  9.9371000E-02  3.9195700E-01
Be_3-21G
(6s3p/3s2p) 3-21G  Binkley, Pople, Hehre  JACS 102, 939 (1980).
  5
  3   0
  71.887600   0.064426
  10.728900   0.366096
  2.222050    0.695934
  2   0
  1.295480   -0.421064   
  0.268881    1.224070    
  1   0
  0.077350    1.000000
  2   1
  1.295480    0.205132
  0.268881    0.882528
  1   1
  0.077350    1.000000
B_STO3G 
(6s3p/2s1p)   STO-3G    Hehre, Stewart, & Pople, JCP 51, 2657 (1969)
  3
  3  0
  4.8791113E+01  1.5432900E-01
  8.8873620E+00  5.3532800E-01
  2.4052670E+00  4.4463500E-01
  3  0
  2.2369560E+00 -9.9967000E-02
  5.1982000E-01  3.9951300E-01
  1.6906200E-01  7.0011500E-01
  3  1
  2.2369560E+00  1.5591600E-01
  5.1982000E-01  6.0768400E-01
  1.6906200E-01  3.9195700E-01
B_3-21G 
(6s3p/3s2p) 3-21G  Binkley, Pople, Hehre  JACS 102, 939 (1980).
  5
  3  0
  116.434000  0.062961
  17.431400   0.363304
  3.680160    0.697255
  2  0
  2.281870   -0.368662   
  0.465248    1.199440    
  1  0
  0.124328    1.000000
  2  1
  2.281870    0.231152   
  0.465248    0.866764    
  1  1
  0.124328    1.000000
B_DH32  
(9s5p/3s2p)   Dunning, JCP 53, 2823 (1970)
  5
  6  0
  2.7884100E+03  2.1220000E-03
  4.1903900E+02  1.6171000E-02
  9.6468300E+01  7.8356000E-02
  2.8069400E+01  2.6325000E-01
  9.3760000E+00  5.9672900E-01
  1.3057000E+00  2.3039700E-01
  1  0
  3.4062000E+00  1.0000000E+00
  2  0
  3.2450000E-01  5.2688700E-01
  1.0220000E-01  5.3055700E-01
  4  1
  1.1341300E+01  1.7987000E-02
  2.4313000E+00  1.1033900E-01
  6.8360000E-01  3.8311100E-01
  2.1340000E-01  6.4786000E-01
  1  1
  7.0100000E-02  1.0000000E+00
C_STO3G  
(6s3p/2s1p) STO-3G Hehre, Stewart, & Pople, JCP 51, 2657 (1969)
  3
  3  0
  7.1616837E+01  1.5432900E-01
  1.3045096E+01  5.3532800E-01
  3.5305120E+00  4.4463500E-01
  3  0
  2.9412490E+00 -9.9967000E-02
  6.8348300E-01  3.9951300E-01
  2.2229000E-01  7.0011500E-01
  3  1
  2.9412490E+00  1.5591600E-01
  6.8348300E-01  6.0768400E-01
  2.2229000E-01  3.9195700E-01
C_3-21G  
(6s3p/3s2p) 3-21G Binkley,Pople,Hehre, JACS 102,939(1980)
  5
  3  0
  1.7225600E+02  6.1766900E-02  
  2.5910900E+01  3.5879400E-01 
  5.5333500E+00  7.0071300E-01
  2  0
  3.6649800E+00 -3.9589700E-01 
  7.7054500E-01  1.2158400E+00
  1  0
  1.9585700E-01  1.0000000E+00
  2  1
  3.6649800E+00  2.3646000E-01 
  7.7054500E-01  8.6061900E-01
  1  1
  1.9585700E-01  1.0000000E+00 
C_DH32  
(9s5p/3s2p) Dunning, JCP 53, 2823 (1970)
  5
  6  0
  4.2326100E+03  2.0290000E-03
  6.3488200E+02  1.5535000E-02
  1.4609700E+02  7.5411000E-02
  4.2497400E+01  2.5712100E-01
  1.4189200E+01  5.9655500E-01
  1.9666000E+00  2.4251700E-01
  1  0
  5.1477000E+00  1.0000000E+00
  2  0
  4.9620000E-01  5.4204800E-01
  1.5330000E-01  5.1712100E-01
  4  1
  1.8155700E+01  1.8534000E-02
  3.9864000E+00  1.1544200E-01
  1.1429000E+00  3.8620600E-01
  3.5940000E-01  6.4008900E-01
  1  1
  1.1460000E-01  1.0000000E+00
N_STO3G 
(6s3p/2s1p)   STO-3G    Hehre, Stewart, & Pople  JCP 51, 2657 (1969)
  3
  3  0
  9.9106169E+01  1.5432900E-01
  1.8052312E+01  5.3532800E-01
  4.8856600E+00  4.4463500E-01
  3  0
  3.7804560E+00 -9.9967000E-02
  8.7849700E-01  3.9951300E-01
  2.8571400E-01  7.0011500E-01
  3  1
  3.7804560E+00  1.5591600E-01
  8.7849700E-01  6.0768400E-01
  2.8571400E-01  3.9195700E-01
N_3-21G 
(6s3p/3s2p) 3-21G  Binkley, Pople, Hehre  JACS 102, 939 (1980).
  5
  3  0
  242.766000  0.059866
  36.485100   0.352955
  7.814490    0.706513
  2  0
  5.425220   -0.413301 
  1.149150    1.224420  
  1  0
  0.283205    1.000000
  2  1
  5.425220    0.237972
  1.149150    0.858953
  1  1
  0.283205    1.000000
N_DH32  
(9s5p/3s2p)   Dunning, JCP 53, 2823 (1970)
  5
  6  0
  5.9094400E+03  2.0040000E-03
  8.8745100E+02  1.5310000E-02
  2.0474900E+02  7.4293000E-02
  5.9837600E+01  2.5336400E-01
  1.9998100E+01  6.0057600E-01
  2.6860000E+00  2.4511100E-01
  1  0
  7.1927000E+00  1.0000000E+00
  2  0
  7.0000000E-01  5.5233400E-01
  2.1330000E-01  5.0803100E-01
  3  1
  2.6786000E+01  1.8257000E-02
  5.9564000E+00  1.1640700E-01
  1.7074000E+00  3.9011100E-01
  2  1
  5.3140000E-01  6.3722100E-01
  1.6540000E-01  1.0000000E+00
O_STO3G 
(6s3p/2s1p)   STO-3G    Hehre, Stewart, & Pople, JCP 51, 2657 (1969)
  3
  3  0
  1.3070932E+02  1.5432900E-01
  2.3808866E+01  5.3532800E-01
  6.4436080E+00  4.4463500E-01
  3  0
  5.0331510E+00 -9.9967000E-02
  1.1695960E+00  3.9951300E-01
  3.8038900E-01  7.0011500E-01
  3  1
  5.0331510E+00  1.5591600E-01
  1.1695960E+00  6.0768400E-01
  3.8038900E-01  3.9195700E-01
O_3-21G 
(6s3p/3s2p) 3-21G  Binkley, Pople, Hehre  JACS 102, 939 (1980).
  5
  3  0
  322.037000  0.059239
  48.430800   0.351500
  10.420600   0.707658
  2  0
  7.402940   -0.404453  
  1.576200    1.221560  
  1  0
  0.373684    1.000000 
  2  1
  7.402940    0.244586
  1.576200    0.853955
  1  1
  0.373684    1.000000 
O_DH32  
(9s5p/3s2p)   Dunning, JCP 53, 2823 (1970)
  5
  6  0
  7.8165400E+03  2.0310000E-03
  1.1758200E+03  1.5436000E-02
  2.7318800E+02  7.3771000E-02
  8.1169600E+01  2.4760600E-01
  2.7183600E+01  6.1183200E-01
  3.4136000E+00  2.4120500E-01
  1  0
  9.5322000E+00  1.0000000E+00
  2  0
  9.3980000E-01  5.6345900E-01
  2.8460000E-01  4.9733800E-01
  4  1
  3.5183200E+01  1.9580000E-02
  7.9040000E+00  1.2418900E-01
  2.3051000E+00  3.9472700E-01
  7.1710000E-01  6.2737500E-01
  1  1
  2.1370000E-01  1.0000000E+00
F_STO3G 
(6s3p/2s1p)   STO-3G    Hehre, Stewart, & Pople, JCP 51, 2657 (1969)
  3
  3  0
  1.6667913E+02  1.5432900E-01
  3.0360812E+01  5.3532800E-01
  8.2168210E+00  4.4463500E-01
  3  0
  6.4648030E+00 -9.9967000E-02
  1.5022810E+00  3.9951300E-01
  4.8858800E-01  7.0011500E-01
  3  1
  6.4648030E+00  1.5591600E-01
  1.5022810E+00  6.0768400E-01
  4.8858800E-01  3.9195700E-01
F_3-21G 
(6s3p/3s2p) 3-21G  Binkley, Pople, Hehre  JACS 102, 939 (1980).
  5
  3  0
  413.801000  0.058548
  62.244600   0.349308
  13.434000   0.709632
  2  0
  9.777590   -0.407327  
  2.086170    1.223140  
  1  0
  0.482383    1.000000 
  2  1
  9.777590    0.246680
  2.086170    0.852321
  1  1
  0.482383    1.000000 
F_DH32  
(9s5p/3s2p)   Dunning, JCP 53, 2823 (1970)
  5
  6  0
  9.9947900E+03  2.0170000E-03
  1.5060300E+03  1.5295000E-02
  3.5026900E+02  7.3110000E-02
  1.0405300E+02  2.4642000E-01
  3.4843200E+01  6.1259300E-01
  4.3688000E+00  2.4248900E-01
  1  0
  1.2216400E+01  1.0000000E+00
  2  0
  1.2078000E+00  5.7281700E-01
  3.6340000E-01  4.8841600E-01
  4  1
  4.4355500E+01  2.0868000E-02
  1.0082000E+01  1.3009200E-01
  2.9959000E+00  3.9621900E-01
  9.3830000E-01  6.2036800E-01
  1  1
  2.7330000E-01  1.0000000E+00
Ne_STO3G
(6s3p/2s1p)   STO-3G    Hehre,Stewart,&Pople  JCP 51,2657(1969)
  3
  3  0
  2.0701561E+02  1.5432900E-01
  3.7708151E+01  5.3532800E-01
  1.0205297E+01  4.4463500E-01
  3  0
  8.2463150E+00 -9.9967000E-02
  1.9162660E+00  3.9951300E-01
  6.2322900E-01  7.0011500E-01
  3  1
  8.2463150E+00  1.5591600E-01
  1.9162660E+00  6.0768400E-01
  6.2322900E-01  3.9195700E-01
Ne_3-21G
(6s3p/3s2p) 3-21G  Binkley, Pople, Hehre  JACS 102, 939 (1980).
  5
  3  0
  515.724000  0.058143
  77.653800   0.347951
  16.813600   0.710714
  2  0
  12.483000  -0.409922  
  2.664510    1.224310  
  1  0
  0.606250    1.000000
  2  1
  12.483000   0.247460
  2.664510    0.851743
  1  1
  0.606250    1.000000