File: McLean-Chandler-VTZ

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file content (236 lines) | stat: -rwxr-xr-x 16,076 bytes parent folder | download | duplicates (3)
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$Basis = McLean/Chandler VTZ

$Elements supported
$Na Mg Al Si P S Cl Ar 
$
$ REFERENCE
$ A.D. MCLEAN AND G.S. CHANDLER, CHEM. PHYS. 72, 5639, (1980)                  
$
a 11
$ SODIUM       (12s,9p) -> [6s,5p]                               
$ S-TYPE FUNCTIONS
   13    6    0
  36166.4000000  0.00103200  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
   5372.5800000  0.00807100  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
   1213.2100000  0.04212900  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    339.6230000  0.16978900  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    109.5530000  0.51462100  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     38.7773000  0.37981700  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     38.7773000  0.00000000  0.37476200  0.00000000  0.00000000  0.00000000  0.00000000
     14.5759000  0.00000000  0.57576900  0.00000000  0.00000000  0.00000000  0.00000000
      5.2699300  0.00000000  0.11293300  0.00000000  0.00000000  0.00000000  0.00000000
      1.8277700  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
      0.6199480  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.0572400  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0240480  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    9    5    0
    144.6450000  0.01148500  0.00000000  0.00000000  0.00000000  0.00000000
     33.9074000  0.08238300  0.00000000  0.00000000  0.00000000  0.00000000
     10.6285000  0.31965800  0.00000000  0.00000000  0.00000000  0.00000000
      3.8238900  0.70129500  0.00000000  0.00000000  0.00000000  0.00000000
      1.4442900  0.00000000  0.63850600  0.00000000  0.00000000  0.00000000
      0.5526210  0.00000000  0.42536500  0.00000000  0.00000000  0.00000000
      0.1887200  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.0465010  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0162850  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
a 12
$ MAGNESIUM    (12s,9p) -> [6s,5p]                               
$ S-TYPE FUNCTIONS
   13    6    0
  43866.5000000  0.00091800  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
   6605.3700000  0.00704700  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
   1513.2600000  0.03594100  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    432.3170000  0.14146100  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    142.1490000  0.42676400  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     51.3983000  0.49797500  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     51.3983000  0.00000000  0.25135500  0.00000000  0.00000000  0.00000000  0.00000000
     19.9196000  0.00000000  0.61867100  0.00000000  0.00000000  0.00000000  0.00000000
      8.0247400  0.00000000  0.18841700  0.00000000  0.00000000  0.00000000  0.00000000
      2.5081700  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
      0.8715310  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.1081880  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0401300  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    9    5    0
    193.8540000  0.01018800  0.00000000  0.00000000  0.00000000  0.00000000
     45.4420000  0.07536000  0.00000000  0.00000000  0.00000000  0.00000000
     14.1864000  0.30741900  0.00000000  0.00000000  0.00000000  0.00000000
      5.0575100  0.71757500  0.00000000  0.00000000  0.00000000  0.00000000
      1.8886100  0.00000000  0.66733900  0.00000000  0.00000000  0.00000000
      0.7226520  0.00000000  0.39464900  0.00000000  0.00000000  0.00000000
      0.2364170  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.0933580  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0348090  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
a 13
$ ALUMINUM     (12s,9p) -> [6s,5p]                               
$ S-TYPE FUNCTIONS
   13    6    0
  54866.4890000  0.00083900  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
   8211.7665000  0.00652700  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
   1866.1761000  0.03366600  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    531.1293400  0.13290200  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    175.1179700  0.40126600  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     64.0055000  0.53133800  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     64.0055000  0.00000000  0.20230500  0.00000000  0.00000000  0.00000000  0.00000000
     25.2925070  0.00000000  0.62479000  0.00000000  0.00000000  0.00000000  0.00000000
     10.5349100  0.00000000  0.22743900  0.00000000  0.00000000  0.00000000  0.00000000
      3.2067110  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
      1.1525550  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.1766780  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.6523700  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    9    5    0
    259.2836200  0.00944800  0.00000000  0.00000000  0.00000000  0.00000000
     61.0768700  0.07097400  0.00000000  0.00000000  0.00000000  0.00000000
     19.3032370  0.29563600  0.00000000  0.00000000  0.00000000  0.00000000
      7.0108820  0.72821900  0.00000000  0.00000000  0.00000000  0.00000000
      2.6738650  0.00000000  0.64446700  0.00000000  0.00000000  0.00000000
      1.0365960  0.00000000  0.41741300  0.00000000  0.00000000  0.00000000
      0.3168190  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.1142570  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0413970  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
a 14
$ SILICON      (12s,9p) -> [6s,5p]                               
$ S-TYPE FUNCTIONS
   13    6    0
  69379.2300000  0.00075700  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
  10354.9400000  0.00593200  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
   2333.8796000  0.03108800  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    657.1429500  0.12496700  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    214.3011300  0.38689700  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     77.6291680  0.55488800  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     77.6291680  0.00000000  0.17788100  0.00000000  0.00000000  0.00000000  0.00000000
     30.6308070  0.00000000  0.62776500  0.00000000  0.00000000  0.00000000  0.00000000
     12.8012950  0.00000000  0.24762300  0.00000000  0.00000000  0.00000000  0.00000000
      3.9268660  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
      1.4523430  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.2562340  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0942790  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    9    5    0
    335.4831900  0.00886600  0.00000000  0.00000000  0.00000000  0.00000000
     78.9003660  0.06829900  0.00000000  0.00000000  0.00000000  0.00000000
     24.9881500  0.29095800  0.00000000  0.00000000  0.00000000  0.00000000
      9.2197110  0.73211700  0.00000000  0.00000000  0.00000000  0.00000000
      3.6211400  0.00000000  0.61987900  0.00000000  0.00000000  0.00000000
      1.4513100  0.00000000  0.43914800  0.00000000  0.00000000  0.00000000
      0.5049770  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.1863170  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0654320  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
a 15
$ PHOSPHORUS   (12s,9p) -> [6s,5p]                               
$ S-TYPE FUNCTIONS
   13    6    0
  77492.4000000  0.00078100  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
  11605.8000000  0.00606800  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
   2645.9600000  0.03116000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    754.9800000  0.12343100  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    248.7550000  0.37820900  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     91.1565000  0.56326200  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     91.1565000  0.00000000  0.16025500  0.00000000  0.00000000  0.00000000  0.00000000
     36.2257000  0.00000000  0.62764700  0.00000000  0.00000000  0.00000000  0.00000000
     15.2113000  0.00000000  0.26384900  0.00000000  0.00000000  0.00000000  0.00000000
      4.7941700  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
      1.8079300  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.3568160  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.1147830  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    9    5    0
    384.8430000  0.00920600  0.00000000  0.00000000  0.00000000  0.00000000
     90.5521000  0.06987400  0.00000000  0.00000000  0.00000000  0.00000000
     29.1339000  0.29247000  0.00000000  0.00000000  0.00000000  0.00000000
     10.8862000  0.72810300  0.00000000  0.00000000  0.00000000  0.00000000
      4.3525900  0.00000000  0.62834900  0.00000000  0.00000000  0.00000000
      1.7770600  0.00000000  0.42804400  0.00000000  0.00000000  0.00000000
      0.6970050  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.2535320  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0684930  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
a 16
$ SULFUR       (12s,9p) -> [6s,5p]                               
$ S-TYPE FUNCTIONS
   13    6    0
  93413.4000000  0.00074300  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
  13961.7000000  0.00579300  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
   3169.9100000  0.02995400  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    902.4560000  0.11902800  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    297.1580000  0.36843200  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    108.7020000  0.57729900  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    108.7020000  0.00000000  0.14318600  0.00000000  0.00000000  0.00000000  0.00000000
     43.1553000  0.00000000  0.62446500  0.00000000  0.00000000  0.00000000  0.00000000
     18.1079000  0.00000000  0.28336600  0.00000000  0.00000000  0.00000000  0.00000000
      5.5600900  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
      2.1318300  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.4204030  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.1360450  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    9    5    0
    495.0400000  0.00830900  0.00000000  0.00000000  0.00000000  0.00000000
    117.2210000  0.06402400  0.00000000  0.00000000  0.00000000  0.00000000
     37.7749000  0.27761400  0.00000000  0.00000000  0.00000000  0.00000000
     14.0584000  0.74507600  0.00000000  0.00000000  0.00000000  0.00000000
      5.5657400  0.00000000  0.61371200  0.00000000  0.00000000  0.00000000
      2.2629700  0.00000000  0.44381800  0.00000000  0.00000000  0.00000000
      0.8079940  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.2774600  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0771410  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
a 17
$ CHLORINE     (12s,9p) -> [6s,5p]                               
$ S-TYPE FUNCTIONS
   13    6    0
 105819.0000000  0.00073800  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
  15872.0000000  0.00571800  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
   3619.6500000  0.02949500  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
   1030.8000000  0.11728600  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    339.9080000  0.36294900  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    124.5380000  0.58414900  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    124.5380000  0.00000000  0.13417700  0.00000000  0.00000000  0.00000000  0.00000000
     49.5135000  0.00000000  0.62425000  0.00000000  0.00000000  0.00000000  0.00000000
     20.8056000  0.00000000  0.29175600  0.00000000  0.00000000  0.00000000  0.00000000
      6.5834600  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
      2.5646800  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.5597630  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.1832730  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
   10    5    0
    589.7760000  0.00239100  0.00000000  0.00000000  0.00000000  0.00000000
    139.8490000  0.01850400  0.00000000  0.00000000  0.00000000  0.00000000
     45.1413000  0.08137700  0.00000000  0.00000000  0.00000000  0.00000000
     16.8733000  0.22155200  0.00000000  0.00000000  0.00000000  0.00000000
      6.7411000  0.77256900  0.00000000  0.00000000  0.00000000  0.00000000
      6.7411000  0.00000000 -1.57224400  0.00000000  0.00000000  0.00000000
      2.7715200  0.00000000  0.99238900  0.00000000  0.00000000  0.00000000
      1.0238700  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.3813680  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.1094370  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
a 18
$ ARGON        (12s,9p) -> [6s,5p]                               
$ S-TYPE FUNCTIONS
   13    6    0
 118022.3800000  0.00074700  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
  17683.5410000  0.00579000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
   4027.7657000  0.02991900  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
   1145.3977000  0.11920600  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    377.1637500  0.36902800  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    138.1596900  0.57645900  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    138.1596900  0.00000000  0.14392700  0.00000000  0.00000000  0.00000000  0.00000000
     54.9891170  0.00000000  0.62293800  0.00000000  0.00000000  0.00000000  0.00000000
     23.1706670  0.00000000  0.28396400  0.00000000  0.00000000  0.00000000  0.00000000
      7.3778600  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
      2.9236880  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.6504050  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.2328250  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
   10    5    0
    663.0620100  0.00308200  0.00000000  0.00000000  0.00000000  0.00000000
    157.0928100  0.02416500  0.00000000  0.00000000  0.00000000  0.00000000
     50.2311000  0.10822300  0.00000000  0.00000000  0.00000000  0.00000000
     18.6353450  0.29419200  0.00000000  0.00000000  0.00000000  0.00000000
      7.4465370  0.68786200  0.00000000  0.00000000  0.00000000  0.00000000
      7.4465370  0.00000000 -0.12144820  0.00000000  0.00000000  0.00000000
      3.0956980  0.00000000  0.16323700  0.00000000  0.00000000  0.00000000
      1.1064630  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.4156010  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.1454490  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000