# all_value

name: LANL08
description: Uncontracted basis set
elt: Ge
data:
GERMANIUM
S   1
  1      0.8935000              1.0000000        
S   1
  1      0.4424000              1.0000000        
S   1
  1      0.1162000              1.0000000        
P   1
  1      1.8770000              1.0000000        
P   1
  1      0.2623000              1.0000000        
P   1
  1      0.0798000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: As
data:
ARSENIC
S   1
  1      0.9635000              1.0000000        
S   1
  1      0.5427000              1.0000000        
S   1
  1      0.1407000              1.0000000        
P   1
  1      2.0840000              1.0000000        
P   1
  1      0.3224000              1.0000000        
P   1
  1      0.1020000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Se
data:
SELENIUM
S   1
  1      1.0330000              1.0000000        
S   1
  1      0.6521000              1.0000000        
S   1
  1      0.1660000              1.0000000        
P   1
  1      2.3660000              1.0000000        
P   1
  1      0.3833000              1.0000000        
P   1
  1      0.1186000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Br
data:
BROMINE
S   1
  1      1.1590000              1.0000000        
S   1
  1      0.7107000              1.0000000        
S   1
  1      0.1905000              1.0000000        
P   1
  1      2.6910000              1.0000000        
P   1
  1      0.4446000              1.0000000        
P   1
  1      0.1377000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Kr
data:
KRYPTON
S   1
  1      1.2270000              1.0000000        
S   1
  1      0.8457000              1.0000000        
S   1
  1      0.2167000              1.0000000        
P   1
  1      2.9200000              1.0000000        
P   1
  1      0.5169000              1.0000000        
P   1
  1      0.1614000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Rb
data:
RUBIDIUM
S   1
  1      1.4570000              1.0000000        
S   1
  1      0.9400000              1.0000000        
S   1
  1      0.2706000              1.0000000        
S   1
  1      0.0366000              1.0000000        
S   1
  1      0.0155000              1.0000000        
P   1
  1      3.3000000              1.0000000        
P   1
  1      0.5985000              1.0000000        
P   1
  1      0.1947000              1.0000000        
P   1
  1      0.0318000              1.0000000        
P   1
  1      0.0124000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Sr
data:
STRONTIUM
S   1
  1      1.6480000              1.0000000        
S   1
  1      1.0030000              1.0000000        
S   1
  1      0.3106000              1.0000000        
S   1
  1      0.1099000              1.0000000        
S   1
  1      0.0292000              1.0000000        
P   1
  1      3.5520000              1.0000000        
P   1
  1      0.6975000              1.0000000        
P   1
  1      0.2480000              1.0000000        
P   1
  1      0.0570000              1.0000000        
P   1
  1      0.0222000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Y
data:
YTTRIUM
S   1
  1      1.7510000              1.0000000        
S   1
  1      1.1430000              1.0000000        
S   1
  1      0.3581000              1.0000000        
S   1
  1      0.1058000              1.0000000        
S   1
  1      0.0318000              1.0000000        
P   1
  1      3.8840000              1.0000000        
P   1
  1      0.7660000              1.0000000        
P   1
  1      0.2890000              1.0000000        
P   1
  1      0.0629000              1.0000000        
P   1
  1      0.0223000              1.0000000        
D   1
  1      1.5230000              1.0000000        
D   1
  1      0.5634000              1.0000000        
D   1
  1      0.1834000              1.0000000        
D   1
  1      0.0569000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Zr
data:
ZIRCONIUM
S   1
  1      1.9760000              1.0000000        
S   1
  1      1.1540000              1.0000000        
S   1
  1      0.3910000              1.0000000        
S   1
  1      0.1001000              1.0000000        
S   1
  1      0.0334000              1.0000000        
P   1
  1      4.1920000              1.0000000        
P   1
  1      0.8764000              1.0000000        
P   1
  1      0.2972000              1.0000000        
P   1
  1      0.0724000              1.0000000        
P   1
  1      0.0243000              1.0000000        
D   1
  1      2.2690000              1.0000000        
D   1
  1      0.7855000              1.0000000        
D   1
  1      0.2615000              1.0000000        
D   1
  1      0.0802000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Nb
data:
NIOBIUM
S   1
  1      2.1820000              1.0000000        
S   1
  1      1.2090000              1.0000000        
S   1
  1      0.4165000              1.0000000        
S   1
  1      0.1454000              1.0000000        
S   1
  1      0.0392000              1.0000000        
P   1
  1      4.5190000              1.0000000        
P   1
  1      0.9406000              1.0000000        
P   1
  1      0.3492000              1.0000000        
P   1
  1      0.0752000              1.0000000        
P   1
  1      0.0247000              1.0000000        
D   1
  1      3.4660000              1.0000000        
D   1
  1      0.9938000              1.0000000        
D   1
  1      0.3350000              1.0000000        
D   1
  1      0.1024000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Mo
data:
MOLYBDENUM
S   1
  1      2.3610000              1.0000000        
S   1
  1      1.3090000              1.0000000        
S   1
  1      0.4500000              1.0000000        
S   1
  1      0.1681000              1.0000000        
S   1
  1      0.0423000              1.0000000        
P   1
  1      4.8950000              1.0000000        
P   1
  1      1.0440000              1.0000000        
P   1
  1      0.3877000              1.0000000        
P   1
  1      0.0780000              1.0000000        
P   1
  1      0.0247000              1.0000000        
D   1
  1      2.9930000              1.0000000        
D   1
  1      1.0630000              1.0000000        
D   1
  1      0.3721000              1.0000000        
D   1
  1      0.1178000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Tc
data:
TECHNETIUM
S   1
  1      2.3420000              1.0000000        
S   1
  1      1.6340000              1.0000000        
S   1
  1      0.5094000              1.0000000        
S   1
  1      0.1706000              1.0000000        
S   1
  1      0.0435000              1.0000000        
P   1
  1      5.2780000              1.0000000        
P   1
  1      1.1560000              1.0000000        
P   1
  1      0.4302000              1.0000000        
P   1
  1      0.0895000              1.0000000        
P   1
  1      0.0246000              1.0000000        
D   1
  1      4.6320000              1.0000000        
D   1
  1      1.2790000              1.0000000        
D   1
  1      0.4425000              1.0000000        
D   1
  1      0.1364000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Ru
data:
RUTHENIUM
S   1
  1      2.5650000              1.0000000        
S   1
  1      1.5080000              1.0000000        
S   1
  1      0.5129000              1.0000000        
S   1
  1      0.1362000              1.0000000        
S   1
  1      0.0417000              1.0000000        
P   1
  1      4.8590000              1.0000000        
P   1
  1      1.2190000              1.0000000        
P   1
  1      0.4413000              1.0000000        
P   1
  1      0.0830000              1.0000000        
P   1
  1      0.0250000              1.0000000        
D   1
  1      4.1950000              1.0000000        
D   1
  1      1.3770000              1.0000000        
D   1
  1      0.4828000              1.0000000        
D   1
  1      0.1501000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Rh
data:
RHODIUM
S   1
  1      2.6460000              1.0000000        
S   1
  1      1.7510000              1.0000000        
S   1
  1      0.5713000              1.0000000        
S   1
  1      0.1438000              1.0000000        
S   1
  1      0.0428000              1.0000000        
P   1
  1      5.4400000              1.0000000        
P   1
  1      1.3290000              1.0000000        
P   1
  1      0.4845000              1.0000000        
P   1
  1      0.0869000              1.0000000        
P   1
  1      0.0257000              1.0000000        
D   1
  1      3.6690000              1.0000000        
D   1
  1      1.4230000              1.0000000        
D   1
  1      0.5091000              1.0000000        
D   1
  1      0.1610000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Pd
data:
PALLADIUM
S   1
  1      2.7870000              1.0000000        
S   1
  1      1.9650000              1.0000000        
S   1
  1      0.6243000              1.0000000        
S   1
  1      0.1496000              1.0000000        
S   1
  1      0.0436000              1.0000000        
P   1
  1      5.9990000              1.0000000        
P   1
  1      1.4430000              1.0000000        
P   1
  1      0.5264000              1.0000000        
P   1
  1      0.0899000              1.0000000        
P   1
  1      0.0262000              1.0000000        
D   1
  1      6.0910000              1.0000000        
D   1
  1      1.7190000              1.0000000        
D   1
  1      0.6056000              1.0000000        
D   1
  1      0.1883000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Ag
data:
SILVER
S   1
  1      2.9500000              1.0000000        
S   1
  1      2.1490000              1.0000000        
S   1
  1      0.6684000              1.0000000        
S   1
  1      0.0997000              1.0000000        
S   1
  1      0.0347000              1.0000000        
P   1
  1      6.5530000              1.0000000        
P   1
  1      1.5650000              1.0000000        
P   1
  1      0.5748000              1.0000000        
P   1
  1      0.0833000              1.0000000        
P   1
  1      0.0252000              1.0000000        
D   1
  1      3.3910000              1.0000000        
D   1
  1      1.5990000              1.0000000        
D   1
  1      0.6282000              1.0000000        
D   1
  1      0.2108000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Cd
data:
CADMIUM
S   1
  1      0.5095000              1.0000000        
S   1
  1      0.1924000              1.0000000        
S   1
  1      0.0544000              1.0000000        
P   1
  1      0.8270000              1.0000000        
P   1
  1      0.1287000              1.0000000        
P   1
  1      0.0405000              1.0000000        
D   1
  1      5.1480000              1.0000000        
D   1
  1      1.9660000              1.0000000        
D   1
  1      0.7360000              1.0000000        
D   1
  1      0.2479000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: In
data:
INDIUM
S   1
  1      0.4915000              1.0000000        
S   1
  1      0.3404000              1.0000000        
S   1
  1      0.0774000              1.0000000        
P   1
  1      0.9755000              1.0000000        
P   1
  1      0.1550000              1.0000000        
P   1
  1      0.0474000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Sn
data:
TIN
S   1
  1      0.5418000              1.0000000        
S   1
  1      0.3784000              1.0000000        
S   1
  1      0.0926000              1.0000000        
P   1
  1      1.0470000              1.0000000        
P   1
  1      0.1932000              1.0000000        
P   1
  1      0.0630000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Sb
data:
ANTIMONY
S   1
  1      0.5863000              1.0000000        
S   1
  1      0.4293000              1.0000000        
S   1
  1      0.1078000              1.0000000        
P   1
  1      1.1110000              1.0000000        
P   1
  1      0.2365000              1.0000000        
P   1
  1      0.0800000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Te
data:
TELLURIUM
S   1
  1      0.6938000              1.0000000        
S   1
  1      0.4038000              1.0000000        
S   1
  1      0.1165000              1.0000000        
P   1
  1      1.2310000              1.0000000        
P   1
  1      0.2756000              1.0000000        
P   1
  1      0.0911000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: I
data:
IODINE
S   1
  1      0.7242000              1.0000000        
S   1
  1      0.4653000              1.0000000        
S   1
  1      0.1336000              1.0000000        
P   1
  1      1.2900000              1.0000000        
P   1
  1      0.3180000              1.0000000        
P   1
  1      0.1053000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Xe
data:
XENON
S   1
  1      0.7646000              1.0000000        
S   1
  1      0.5322000              1.0000000        
S   1
  1      0.1491000              1.0000000        
P   1
  1      1.2110000              1.0000000        
P   1
  1      0.3808000              1.0000000        
P   1
  1      0.1259000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Cs
data:
CESIUM
S   1
  1      0.8709000              1.0000000        
S   1
  1      0.5393000              1.0000000        
S   1
  1      0.1724000              1.0000000        
S   1
  1      0.0393000              1.0000000        
S   1
  1      0.0151000              1.0000000        
P   1
  1      1.4680000              1.0000000        
P   1
  1      0.4134000              1.0000000        
P   1
  1      0.1458000              1.0000000        
P   1
  1      0.0279000              1.0000000        
P   1
  1      0.0113000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Ba
data:
BARIUM
S   1
  1      0.8699000              1.0000000        
S   1
  1      0.6676000              1.0000000        
S   1
  1      0.1982000              1.0000000        
S   1
  1      0.0823000              1.0000000        
S   1
  1      0.0231000              1.0000000        
P   1
  1      1.6050000              1.0000000        
P   1
  1      0.4790000              1.0000000        
P   1
  1      0.1804000              1.0000000        
P   1
  1      0.0476000              1.0000000        
P   1
  1      0.0192000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: La
data:
LANTHANUM
S   1
  1      0.9167000              1.0000000        
S   1
  1      0.7427000              1.0000000        
S   1
  1      0.2237000              1.0000000        
S   1
  1      0.0792000              1.0000000        
S   1
  1      0.0239000              1.0000000        
P   1
  1      1.5540000              1.0000000        
P   1
  1      0.5622000              1.0000000        
P   1
  1      0.2125000              1.0000000        
P   1
  1      0.0483000              1.0000000        
P   1
  1      0.0179000              1.0000000        
D   1
  1      0.4524000              1.0000000        
D   1
  1      0.1602000              1.0000000        
D   1
  1      0.0531000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Hf
data:
HAFNIUM
S   1
  1      1.9500000              1.0000000        
S   1
  1      1.1830000              1.0000000        
S   1
  1      0.3897000              1.0000000        
S   1
  1      0.1656000              1.0000000        
S   1
  1      0.0424000              1.0000000        
P   1
  1      1.9720000              1.0000000        
P   1
  1      1.3540000              1.0000000        
P   1
  1      0.3427000              1.0000000        
P   1
  1      0.0804000              1.0000000        
P   1
  1      0.0274000              1.0000000        
D   1
  1      0.8226000              1.0000000        
D   1
  1      0.2585000              1.0000000        
D   1
  1      0.0762000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Ta
data:
TANTALUM
S   1
  1      2.0440000              1.0000000        
S   1
  1      1.2670000              1.0000000        
S   1
  1      0.4157000              1.0000000        
S   1
  1      0.1671000              1.0000000        
S   1
  1      0.0482000              1.0000000        
P   1
  1      2.5650000              1.0000000        
P   1
  1      1.2290000              1.0000000        
P   1
  1      0.4244000              1.0000000        
P   1
  1      0.0840000              1.0000000        
P   1
  1      0.0280000              1.0000000        
D   1
  1      0.8948000              1.0000000        
D   1
  1      0.2989000              1.0000000        
D   1
  1      0.0935000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: W
data:
TUNGSTEN
S   1
  1      2.1370000              1.0000000        
S   1
  1      1.3470000              1.0000000        
S   1
  1      0.4366000              1.0000000        
S   1
  1      0.1883000              1.0000000        
S   1
  1      0.0518000              1.0000000        
P   1
  1      3.0050000              1.0000000        
P   1
  1      1.2280000              1.0000000        
P   1
  1      0.4010000              1.0000000        
P   1
  1      0.0900000              1.0000000        
P   1
  1      0.0280000              1.0000000        
D   1
  1      0.9519000              1.0000000        
D   1
  1      0.3270000              1.0000000        
D   1
  1      0.1054000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Re
data:
RHENIUM
S   1
  1      2.1850000              1.0000000        
S   1
  1      1.4510000              1.0000000        
S   1
  1      0.4585000              1.0000000        
S   1
  1      0.2314000              1.0000000        
S   1
  1      0.0566000              1.0000000        
P   1
  1      3.3580000              1.0000000        
P   1
  1      1.2710000              1.0000000        
P   1
  1      0.4644000              1.0000000        
P   1
  1      0.0890000              1.0000000        
P   1
  1      0.0280000              1.0000000        
D   1
  1      1.1160000              1.0000000        
D   1
  1      0.4267000              1.0000000        
D   1
  1      0.1378000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Os
data:
OSMIUM
S   1
  1      2.2220000              1.0000000        
S   1
  1      1.4960000              1.0000000        
S   1
  1      0.4774000              1.0000000        
S   1
  1      0.2437000              1.0000000        
S   1
  1      0.0583000              1.0000000        
P   1
  1      2.5180000              1.0000000        
P   1
  1      1.4600000              1.0000000        
P   1
  1      0.4923000              1.0000000        
P   1
  1      0.0980000              1.0000000        
P   1
  1      0.0290000              1.0000000        
D   1
  1      1.1830000              1.0000000        
D   1
  1      0.4492000              1.0000000        
D   1
  1      0.1463000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Ir
data:
IRIDIUM
S   1
  1      2.3500000              1.0000000        
S   1
  1      1.5820000              1.0000000        
S   1
  1      0.5018000              1.0000000        
S   1
  1      0.2500000              1.0000000        
S   1
  1      0.0598000              1.0000000        
P   1
  1      2.7920000              1.0000000        
P   1
  1      1.5410000              1.0000000        
P   1
  1      0.5100000              1.0000000        
P   1
  1      0.0980000              1.0000000        
P   1
  1      0.0290000              1.0000000        
D   1
  1      1.2400000              1.0000000        
D   1
  1      0.4647000              1.0000000        
D   1
  1      0.1529000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Pt
data:
PLATINUM
S   1
  1      2.5470000              1.0000000        
S   1
  1      1.6140000              1.0000000        
S   1
  1      0.5167000              1.0000000        
S   1
  1      0.2651000              1.0000000        
S   1
  1      0.0580000              1.0000000        
P   1
  1      2.9110000              1.0000000        
P   1
  1      1.8360000              1.0000000        
P   1
  1      0.5982000              1.0000000        
P   1
  1      0.0996000              1.0000000        
P   1
  1      0.0290000              1.0000000        
D   1
  1      1.2430000              1.0000000        
D   1
  1      0.4271000              1.0000000        
D   1
  1      0.1370000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Au
data:
GOLD
S   1
  1      2.8090000              1.0000000        
S   1
  1      1.5950000              1.0000000        
S   1
  1      0.5327000              1.0000000        
S   1
  1      0.2826000              1.0000000        
S   1
  1      0.0598000              1.0000000        
P   1
  1      3.6840000              1.0000000        
P   1
  1      1.6660000              1.0000000        
P   1
  1      0.5989000              1.0000000        
P   1
  1      0.0977000              1.0000000        
P   1
  1      0.0279000              1.0000000        
D   1
  1      1.2870000              1.0000000        
D   1
  1      0.4335000              1.0000000        
D   1
  1      0.1396000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Hg
data:
MERCURY
S   1
  1      0.5275000              1.0000000        
S   1
  1      0.2334000              1.0000000        
S   1
  1      0.0686100              1.0000000        
P   1
  1      0.6503000              1.0000000        
P   1
  1      0.1368000              1.0000000        
P   1
  1      0.0425600              1.0000000        
D   1
  1      1.4840000              1.0000000        
D   1
  1      0.5605000              1.0000000        
D   1
  1      0.1923000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Tl
data:
THALLIUM
S   1
  1      0.5355000              1.0000000        
S   1
  1      0.3082000              1.0000000        
S   1
  1      0.0818300              1.0000000        
P   1
  1      0.7977000              1.0000000        
P   1
  1      0.1498000              1.0000000        
P   1
  1      0.0443500              1.0000000        
D   1
  1      8.6550000              1.0000000        
D   1
  1      1.4150000              1.0000000        
D   1
  1      0.4442000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Pb
data:
LEAD
S   1
  1      0.5135000              1.0000000        
S   1
  1      0.3756000              1.0000000        
S   1
  1      0.0944000              1.0000000        
P   1
  1      0.8748000              1.0000000        
P   1
  1      0.1843000              1.0000000        
P   1
  1      0.0598000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Bi
data:
BISMUTH
S   1
  1      0.5744000              1.0000000        
S   1
  1      0.3851000              1.0000000        
S   1
  1      0.1050000              1.0000000        
P   1
  1      0.9105000              1.0000000        
P   1
  1      0.2194000              1.0000000        
P   1
  1      0.0745000              1.0000000        


name: LANL08(f)
description: uncontracted basis set + f polarization
elt: Sc
data:
SCANDIUM
S   1
  1      3.7170000              1.0000000        
S   1
  1      1.0970000              1.0000000        
S   1
  1      0.4164000              1.0000000        
S   1
  1      0.0761000              1.0000000        
S   1
  1      0.0284000              1.0000000        
P   1
  1     10.4000000              1.0000000        
P   1
  1      1.3110000              1.0000000        
P   1
  1      0.4266000              1.0000000        
P   1
  1      0.0470000              1.0000000        
P   1
  1      0.0140000              1.0000000        
D   1
  1     15.1300000              1.0000000        
D   1
  1      4.2050000              1.0000000        
D   1
  1      1.3030000              1.0000000        
D   1
  1      0.3680000              1.0000000        
D   1
  1      0.0812000              1.0000000        
F   1
  1      1.3350000              1.0000000        


name: LANL08(f)
description: uncontracted basis set + f polarization
elt: Ti
data:
TITANIUM
S   1
  1      4.3720000              1.0000000        
S   1
  1      1.0980000              1.0000000        
S   1
  1      0.4178000              1.0000000        
S   1
  1      0.0872000              1.0000000        
S   1
  1      0.0314000              1.0000000        
P   1
  1     12.5200000              1.0000000        
P   1
  1      1.4910000              1.0000000        
P   1
  1      0.4859000              1.0000000        
P   1
  1      0.0530000              1.0000000        
P   1
  1      0.0160000              1.0000000        
D   1
  1     20.2100000              1.0000000        
D   1
  1      5.4950000              1.0000000        
D   1
  1      1.6990000              1.0000000        
D   1
  1      0.4840000              1.0000000        
D   1
  1      0.1157000              1.0000000        
F   1
  1      1.5060000              1.0000000        


name: LANL08(f)
description: uncontracted basis set + f polarization
elt: V
data:
VANADIUM
S   1
  1      4.5900000              1.0000000        
S   1
  1      1.4930000              1.0000000        
S   1
  1      0.5570000              1.0000000        
S   1
  1      0.0975000              1.0000000        
S   1
  1      0.0342000              1.0000000        
P   1
  1     13.7600000              1.0000000        
P   1
  1      1.7120000              1.0000000        
P   1
  1      0.5587000              1.0000000        
P   1
  1      0.0590000              1.0000000        
P   1
  1      0.0180000              1.0000000        
D   1
  1     25.7000000              1.0000000        
D   1
  1      6.5300000              1.0000000        
D   1
  1      2.0780000              1.0000000        
D   1
  1      0.6243000              1.0000000        
D   1
  1      0.1542000              1.0000000        
F   1
  1      1.7510000              1.0000000        


name: LANL08(f)
description: uncontracted basis set + f polarization
elt: Cr
data:
CHROMIUM
S   1
  1      5.3610000              1.0000000        
S   1
  1      1.4490000              1.0000000        
S   1
  1      0.5496000              1.0000000        
S   1
  1      0.1052000              1.0000000        
S   1
  1      0.0364000              1.0000000        
P   1
  1     16.4200000              1.0000000        
P   1
  1      1.9140000              1.0000000        
P   1
  1      0.6241000              1.0000000        
P   1
  1      0.0630000              1.0000000        
P   1
  1      0.0190000              1.0000000        
D   1
  1     28.9500000              1.0000000        
D   1
  1      7.7080000              1.0000000        
D   1
  1      2.4950000              1.0000000        
D   1
  1      0.7655000              1.0000000        
D   1
  1      0.1889000              1.0000000        
F   1
  1      1.9410000              1.0000000        


name: LANL08(f)
description: uncontracted basis set + f polarization
elt: Mn
data:
MANGANESE
S   1
  1      5.9140000              1.0000000        
S   1
  1      1.6050000              1.0000000        
S   1
  1      0.6260000              1.0000000        
S   1
  1      0.1115000              1.0000000        
S   1
  1      0.0380000              1.0000000        
P   1
  1     18.2000000              1.0000000        
P   1
  1      2.1410000              1.0000000        
P   1
  1      0.7009000              1.0000000        
P   1
  1      0.0690000              1.0000000        
P   1
  1      0.0210000              1.0000000        
D   1
  1     32.2700000              1.0000000        
D   1
  1      8.8750000              1.0000000        
D   1
  1      2.8900000              1.0000000        
D   1
  1      0.8761000              1.0000000        
D   1
  1      0.2120000              1.0000000        
F   1
  1      2.1950000              1.0000000        


name: LANL08(f)
description: uncontracted basis set + f polarization
elt: Fe
data:
IRON
S   1
  1      6.4220000              1.0000000        
S   1
  1      1.8260000              1.0000000        
S   1
  1      0.7135000              1.0000000        
S   1
  1      0.1021000              1.0000000        
S   1
  1      0.0363000              1.0000000        
P   1
  1     19.4800000              1.0000000        
P   1
  1      2.3890000              1.0000000        
P   1
  1      0.7795000              1.0000000        
P   1
  1      0.0740000              1.0000000        
P   1
  1      0.0220000              1.0000000        
D   1
  1     37.0800000              1.0000000        
D   1
  1     10.1000000              1.0000000        
D   1
  1      3.2200000              1.0000000        
D   1
  1      0.9628000              1.0000000        
D   1
  1      0.2262000              1.0000000        
F   1
  1      2.4620000              1.0000000        


name: LANL08(f)
description: uncontracted basis set + f polarization
elt: Co
data:
COBALT
S   1
  1      7.1760000              1.0000000        
S   1
  1      2.0090000              1.0000000        
S   1
  1      0.8055000              1.0000000        
S   1
  1      0.1070000              1.0000000        
S   1
  1      0.0375000              1.0000000        
P   1
  1     21.3900000              1.0000000        
P   1
  1      2.6500000              1.0000000        
P   1
  1      0.8619000              1.0000000        
P   1
  1      0.0800000              1.0000000        
P   1
  1      0.0230000              1.0000000        
D   1
  1     39.2500000              1.0000000        
D   1
  1     10.7800000              1.0000000        
D   1
  1      3.4960000              1.0000000        
D   1
  1      1.0660000              1.0000000        
D   1
  1      0.2606000              1.0000000        
F   1
  1      2.7800000              1.0000000        


name: LANL08(f)
description: uncontracted basis set + f polarization
elt: Ni
data:
NICKEL
S   1
  1      7.6200000              1.0000000        
S   1
  1      2.2940000              1.0000000        
S   1
  1      0.8760000              1.0000000        
S   1
  1      0.1153000              1.0000000        
S   1
  1      0.0396000              1.0000000        
P   1
  1     23.6600000              1.0000000        
P   1
  1      2.8930000              1.0000000        
P   1
  1      0.9435000              1.0000000        
P   1
  1      0.0840000              1.0000000        
P   1
  1      0.0240000              1.0000000        
D   1
  1     42.7200000              1.0000000        
D   1
  1     11.7600000              1.0000000        
D   1
  1      3.8170000              1.0000000        
D   1
  1      1.1690000              1.0000000        
D   1
  1      0.2836000              1.0000000        
F   1
  1      3.1300000              1.0000000        


name: LANL08(f)
description: uncontracted basis set + f polarization
elt: Cu
data:
COPPER
S   1
  1      8.1760000              1.0000000        
S   1
  1      2.5680000              1.0000000        
S   1
  1      0.9587000              1.0000000        
S   1
  1      0.1153000              1.0000000        
S   1
  1      0.0396000              1.0000000        
P   1
  1     25.6300000              1.0000000        
P   1
  1      3.1660000              1.0000000        
P   1
  1      1.0230000              1.0000000        
P   1
  1      0.0860000              1.0000000        
P   1
  1      0.0240000              1.0000000        
D   1
  1     41.3400000              1.0000000        
D   1
  1     11.4200000              1.0000000        
D   1
  1      3.8390000              1.0000000        
D   1
  1      1.2300000              1.0000000        
D   1
  1      0.3102000              1.0000000        
F   1
  1      3.5250000              1.0000000        


name: LANL08(f)
description: uncontracted basis set + f polarization
elt: Y
data:
YTTRIUM
S   1
  1      1.7510000              1.0000000        
S   1
  1      1.1430000              1.0000000        
S   1
  1      0.3581000              1.0000000        
S   1
  1      0.1058000              1.0000000        
S   1
  1      0.0318000              1.0000000        
P   1
  1      3.8840000              1.0000000        
P   1
  1      0.7660000              1.0000000        
P   1
  1      0.2890000              1.0000000        
P   1
  1      0.0629000              1.0000000        
P   1
  1      0.0223000              1.0000000        
D   1
  1      1.5230000              1.0000000        
D   1
  1      0.5634000              1.0000000        
D   1
  1      0.1834000              1.0000000        
D   1
  1      0.0569000              1.0000000        
F   1
  1      0.8350000              1.0000000        


name: LANL08(f)
description: uncontracted basis set + f polarization
elt: Zr
data:
ZIRCONIUM
S   1
  1      1.9760000              1.0000000        
S   1
  1      1.1540000              1.0000000        
S   1
  1      0.3910000              1.0000000        
S   1
  1      0.1001000              1.0000000        
S   1
  1      0.0334000              1.0000000        
P   1
  1      4.1920000              1.0000000        
P   1
  1      0.8764000              1.0000000        
P   1
  1      0.2972000              1.0000000        
P   1
  1      0.0724000              1.0000000        
P   1
  1      0.0243000              1.0000000        
D   1
  1      2.2690000              1.0000000        
D   1
  1      0.7855000              1.0000000        
D   1
  1      0.2615000              1.0000000        
D   1
  1      0.0802000              1.0000000        
F   1
  1      0.8750000              1.0000000        


name: LANL08(f)
description: uncontracted basis set + f polarization
elt: Nb
data:
NIOBIUM
S   1
  1      2.1820000              1.0000000        
S   1
  1      1.2090000              1.0000000        
S   1
  1      0.4165000              1.0000000        
S   1
  1      0.1454000              1.0000000        
S   1
  1      0.0392000              1.0000000        
P   1
  1      4.5190000              1.0000000        
P   1
  1      0.9406000              1.0000000        
P   1
  1      0.3492000              1.0000000        
P   1
  1      0.0752000              1.0000000        
P   1
  1      0.0247000              1.0000000        
D   1
  1      3.4660000              1.0000000        
D   1
  1      0.9938000              1.0000000        
D   1
  1      0.3350000              1.0000000        
D   1
  1      0.1024000              1.0000000        
F   1
  1      0.9520000              1.0000000        


name: LANL08(f)
description: uncontracted basis set + f polarization
elt: Mo
data:
MOLYBDENUM
S   1
  1      2.3610000              1.0000000        
S   1
  1      1.3090000              1.0000000        
S   1
  1      0.4500000              1.0000000        
S   1
  1      0.1681000              1.0000000        
S   1
  1      0.0423000              1.0000000        
P   1
  1      4.8950000              1.0000000        
P   1
  1      1.0440000              1.0000000        
P   1
  1      0.3877000              1.0000000        
P   1
  1      0.0780000              1.0000000        
P   1
  1      0.0247000              1.0000000        
D   1
  1      2.9930000              1.0000000        
D   1
  1      1.0630000              1.0000000        
D   1
  1      0.3721000              1.0000000        
D   1
  1      0.1178000              1.0000000        
F   1
  1      1.0430000              1.0000000        


name: LANL08(f)
description: uncontracted basis set + f polarization
elt: Tc
data:
TECHNETIUM
S   1
  1      2.3420000              1.0000000        
S   1
  1      1.6340000              1.0000000        
S   1
  1      0.5094000              1.0000000        
S   1
  1      0.1706000              1.0000000        
S   1
  1      0.0435000              1.0000000        
P   1
  1      5.2780000              1.0000000        
P   1
  1      1.1560000              1.0000000        
P   1
  1      0.4302000              1.0000000        
P   1
  1      0.0895000              1.0000000        
P   1
  1      0.0246000              1.0000000        
D   1
  1      4.6320000              1.0000000        
D   1
  1      1.2790000              1.0000000        
D   1
  1      0.4425000              1.0000000        
D   1
  1      0.1364000              1.0000000        
F   1
  1      1.1340000              1.0000000        


name: LANL08(f)
description: uncontracted basis set + f polarization
elt: Ru
data:
RUTHENIUM
S   1
  1      2.5650000              1.0000000        
S   1
  1      1.5080000              1.0000000        
S   1
  1      0.5129000              1.0000000        
S   1
  1      0.1362000              1.0000000        
S   1
  1      0.0417000              1.0000000        
P   1
  1      4.8590000              1.0000000        
P   1
  1      1.2190000              1.0000000        
P   1
  1      0.4413000              1.0000000        
P   1
  1      0.0830000              1.0000000        
P   1
  1      0.0250000              1.0000000        
D   1
  1      4.1950000              1.0000000        
D   1
  1      1.3770000              1.0000000        
D   1
  1      0.4828000              1.0000000        
D   1
  1      0.1501000              1.0000000        
F   1
  1      1.2350000              1.0000000        


name: LANL08(f)
description: uncontracted basis set + f polarization
elt: Rh
data:
RHODIUM
S   1
  1      2.6460000              1.0000000        
S   1
  1      1.7510000              1.0000000        
S   1
  1      0.5713000              1.0000000        
S   1
  1      0.1438000              1.0000000        
S   1
  1      0.0428000              1.0000000        
P   1
  1      5.4400000              1.0000000        
P   1
  1      1.3290000              1.0000000        
P   1
  1      0.4845000              1.0000000        
P   1
  1      0.0869000              1.0000000        
P   1
  1      0.0257000              1.0000000        
D   1
  1      3.6690000              1.0000000        
D   1
  1      1.4230000              1.0000000        
D   1
  1      0.5091000              1.0000000        
D   1
  1      0.1610000              1.0000000        
F   1
  1      1.3500000              1.0000000        


name: LANL08(f)
description: uncontracted basis set + f polarization
elt: Pd
data:
PALLADIUM
S   1
  1      2.7870000              1.0000000        
S   1
  1      1.9650000              1.0000000        
S   1
  1      0.6243000              1.0000000        
S   1
  1      0.1496000              1.0000000        
S   1
  1      0.0436000              1.0000000        
P   1
  1      5.9990000              1.0000000        
P   1
  1      1.4430000              1.0000000        
P   1
  1      0.5264000              1.0000000        
P   1
  1      0.0899000              1.0000000        
P   1
  1      0.0262000              1.0000000        
D   1
  1      6.0910000              1.0000000        
D   1
  1      1.7190000              1.0000000        
D   1
  1      0.6056000              1.0000000        
D   1
  1      0.1883000              1.0000000        
F   1
  1      1.4720000              1.0000000        


name: LANL08(f)
description: uncontracted basis set + f polarization
elt: Ag
data:
SILVER
S   1
  1      2.9500000              1.0000000        
S   1
  1      2.1490000              1.0000000        
S   1
  1      0.6684000              1.0000000        
S   1
  1      0.0997000              1.0000000        
S   1
  1      0.0347000              1.0000000        
P   1
  1      6.5530000              1.0000000        
P   1
  1      1.5650000              1.0000000        
P   1
  1      0.5748000              1.0000000        
P   1
  1      0.0833000              1.0000000        
P   1
  1      0.0252000              1.0000000        
D   1
  1      3.3910000              1.0000000        
D   1
  1      1.5990000              1.0000000        
D   1
  1      0.6282000              1.0000000        
D   1
  1      0.2108000              1.0000000        
F   1
  1      1.6110000              1.0000000        


name: LANL08(f)
description: uncontracted basis set + f polarization
elt: La
data:
LANTHANUM
S   1
  1      0.9167000              1.0000000        
S   1
  1      0.7427000              1.0000000        
S   1
  1      0.2237000              1.0000000        
S   1
  1      0.0792000              1.0000000        
S   1
  1      0.0239000              1.0000000        
P   1
  1      1.5540000              1.0000000        
P   1
  1      0.5622000              1.0000000        
P   1
  1      0.2125000              1.0000000        
P   1
  1      0.0483000              1.0000000        
P   1
  1      0.0179000              1.0000000        
D   1
  1      0.4524000              1.0000000        
D   1
  1      0.1602000              1.0000000        
D   1
  1      0.0531000              1.0000000        
F   1
  1      0.5910000              1.0000000        


name: LANL08(f)
description: uncontracted basis set + f polarization
elt: Hf
data:
HAFNIUM
S   1
  1      1.9500000              1.0000000        
S   1
  1      1.1830000              1.0000000        
S   1
  1      0.3897000              1.0000000        
S   1
  1      0.1656000              1.0000000        
S   1
  1      0.0424000              1.0000000        
P   1
  1      1.9720000              1.0000000        
P   1
  1      1.3540000              1.0000000        
P   1
  1      0.3427000              1.0000000        
P   1
  1      0.0804000              1.0000000        
P   1
  1      0.0274000              1.0000000        
D   1
  1      0.8226000              1.0000000        
D   1
  1      0.2585000              1.0000000        
D   1
  1      0.0762000              1.0000000        
F   1
  1      0.7840000              1.0000000        


name: LANL08(f)
description: uncontracted basis set + f polarization
elt: Ta
data:
TANTALUM
S   1
  1      2.0440000              1.0000000        
S   1
  1      1.2670000              1.0000000        
S   1
  1      0.4157000              1.0000000        
S   1
  1      0.1671000              1.0000000        
S   1
  1      0.0482000              1.0000000        
P   1
  1      2.5650000              1.0000000        
P   1
  1      1.2290000              1.0000000        
P   1
  1      0.4244000              1.0000000        
P   1
  1      0.0840000              1.0000000        
P   1
  1      0.0280000              1.0000000        
D   1
  1      0.8948000              1.0000000        
D   1
  1      0.2989000              1.0000000        
D   1
  1      0.0935000              1.0000000        
F   1
  1      0.7900000              1.0000000        


name: LANL08(f)
description: uncontracted basis set + f polarization
elt: W
data:
TUNGSTEN
S   1
  1      2.1370000              1.0000000        
S   1
  1      1.3470000              1.0000000        
S   1
  1      0.4366000              1.0000000        
S   1
  1      0.1883000              1.0000000        
S   1
  1      0.0518000              1.0000000        
P   1
  1      3.0050000              1.0000000        
P   1
  1      1.2280000              1.0000000        
P   1
  1      0.4010000              1.0000000        
P   1
  1      0.0900000              1.0000000        
P   1
  1      0.0280000              1.0000000        
D   1
  1      0.9519000              1.0000000        
D   1
  1      0.3270000              1.0000000        
D   1
  1      0.1054000              1.0000000        
F   1
  1      0.8230000              1.0000000        


name: LANL08(f)
description: uncontracted basis set + f polarization
elt: Re
data:
RHENIUM
S   1
  1      2.1850000              1.0000000        
S   1
  1      1.4510000              1.0000000        
S   1
  1      0.4585000              1.0000000        
S   1
  1      0.2314000              1.0000000        
S   1
  1      0.0566000              1.0000000        
P   1
  1      3.3580000              1.0000000        
P   1
  1      1.2710000              1.0000000        
P   1
  1      0.4644000              1.0000000        
P   1
  1      0.0890000              1.0000000        
P   1
  1      0.0280000              1.0000000        
D   1
  1      1.1160000              1.0000000        
D   1
  1      0.4267000              1.0000000        
D   1
  1      0.1378000              1.0000000        
F   1
  1      0.8690000              1.0000000        


name: LANL08(f)
description: uncontracted basis set + f polarization
elt: Os
data:
OSMIUM
S   1
  1      2.2220000              1.0000000        
S   1
  1      1.4960000              1.0000000        
S   1
  1      0.4774000              1.0000000        
S   1
  1      0.2437000              1.0000000        
S   1
  1      0.0583000              1.0000000        
P   1
  1      2.5180000              1.0000000        
P   1
  1      1.4600000              1.0000000        
P   1
  1      0.4923000              1.0000000        
P   1
  1      0.0980000              1.0000000        
P   1
  1      0.0290000              1.0000000        
D   1
  1      1.1830000              1.0000000        
D   1
  1      0.4492000              1.0000000        
D   1
  1      0.1463000              1.0000000        
F   1
  1      0.8860000              1.0000000        


name: LANL08(f)
description: uncontracted basis set + f polarization
elt: Ir
data:
IRIDIUM
S   1
  1      2.3500000              1.0000000        
S   1
  1      1.5820000              1.0000000        
S   1
  1      0.5018000              1.0000000        
S   1
  1      0.2500000              1.0000000        
S   1
  1      0.0598000              1.0000000        
P   1
  1      2.7920000              1.0000000        
P   1
  1      1.5410000              1.0000000        
P   1
  1      0.5100000              1.0000000        
P   1
  1      0.0980000              1.0000000        
P   1
  1      0.0290000              1.0000000        
D   1
  1      1.2400000              1.0000000        
D   1
  1      0.4647000              1.0000000        
D   1
  1      0.1529000              1.0000000        
F   1
  1      0.9380000              1.0000000        


name: LANL08(f)
description: uncontracted basis set + f polarization
elt: Pt
data:
PLATINUM
S   1
  1      2.5470000              1.0000000        
S   1
  1      1.6140000              1.0000000        
S   1
  1      0.5167000              1.0000000        
S   1
  1      0.2651000              1.0000000        
S   1
  1      0.0580000              1.0000000        
P   1
  1      2.9110000              1.0000000        
P   1
  1      1.8360000              1.0000000        
P   1
  1      0.5982000              1.0000000        
P   1
  1      0.0996000              1.0000000        
P   1
  1      0.0290000              1.0000000        
D   1
  1      1.2430000              1.0000000        
D   1
  1      0.4271000              1.0000000        
D   1
  1      0.1370000              1.0000000        
F   1
  1      0.9930000              1.0000000        


name: LANL08(f)
description: uncontracted basis set + f polarization
elt: Au
data:
GOLD
S   1
  1      2.8090000              1.0000000        
S   1
  1      1.5950000              1.0000000        
S   1
  1      0.5327000              1.0000000        
S   1
  1      0.2826000              1.0000000        
S   1
  1      0.0598000              1.0000000        
P   1
  1      3.6840000              1.0000000        
P   1
  1      1.6660000              1.0000000        
P   1
  1      0.5989000              1.0000000        
P   1
  1      0.0977000              1.0000000        
P   1
  1      0.0279000              1.0000000        
D   1
  1      1.2870000              1.0000000        
D   1
  1      0.4335000              1.0000000        
D   1
  1      0.1396000              1.0000000        
F   1
  1      1.0500000              1.0000000        


name: LANL08+
description: uncontracted basis set + diffuse d function
elt: Sc
data:
SCANDIUM
S   1
  1      3.7170000              1.0000000        
S   1
  1      1.0970000              1.0000000        
S   1
  1      0.4164000              1.0000000        
S   1
  1      0.0761000              1.0000000        
S   1
  1      0.0284000              1.0000000        
P   1
  1     10.4000000              1.0000000        
P   1
  1      1.3110000              1.0000000        
P   1
  1      0.4266000              1.0000000        
P   1
  1      0.0470000              1.0000000        
P   1
  1      0.0140000              1.0000000        
D   1
  1     15.1300000              1.0000000        
D   1
  1      4.2050000              1.0000000        
D   1
  1      1.3030000              1.0000000        
D   1
  1      0.3680000              1.0000000        
D   1
  1      0.0812000              1.0000000        
D   1
  1      0.0250000              1.0000000        


name: LANL08+
description: uncontracted basis set + diffuse d function
elt: Ti
data:
TITANIUM
S   1
  1      4.3720000              1.0000000        
S   1
  1      1.0980000              1.0000000        
S   1
  1      0.4178000              1.0000000        
S   1
  1      0.0872000              1.0000000        
S   1
  1      0.0314000              1.0000000        
P   1
  1     12.5200000              1.0000000        
P   1
  1      1.4910000              1.0000000        
P   1
  1      0.4859000              1.0000000        
P   1
  1      0.0530000              1.0000000        
P   1
  1      0.0160000              1.0000000        
D   1
  1     20.2100000              1.0000000        
D   1
  1      5.4950000              1.0000000        
D   1
  1      1.6990000              1.0000000        
D   1
  1      0.4840000              1.0000000        
D   1
  1      0.1157000              1.0000000        
D   1
  1      0.0349000              1.0000000        


name: LANL08+
description: uncontracted basis set + diffuse d function
elt: V
data:
VANADIUM
S   1
  1      4.5900000              1.0000000        
S   1
  1      1.4930000              1.0000000        
S   1
  1      0.5570000              1.0000000        
S   1
  1      0.0975000              1.0000000        
S   1
  1      0.0342000              1.0000000        
P   1
  1     13.7600000              1.0000000        
P   1
  1      1.7120000              1.0000000        
P   1
  1      0.5587000              1.0000000        
P   1
  1      0.0590000              1.0000000        
P   1
  1      0.0180000              1.0000000        
D   1
  1     25.7000000              1.0000000        
D   1
  1      6.5300000              1.0000000        
D   1
  1      2.0780000              1.0000000        
D   1
  1      0.6243000              1.0000000        
D   1
  1      0.1542000              1.0000000        
D   1
  1      0.0464000              1.0000000        


name: LANL08+
description: uncontracted basis set + diffuse d function
elt: Cr
data:
CHROMIUM
S   1
  1      5.3610000              1.0000000        
S   1
  1      1.4490000              1.0000000        
S   1
  1      0.5496000              1.0000000        
S   1
  1      0.1052000              1.0000000        
S   1
  1      0.0364000              1.0000000        
P   1
  1     16.4200000              1.0000000        
P   1
  1      1.9140000              1.0000000        
P   1
  1      0.6241000              1.0000000        
P   1
  1      0.0630000              1.0000000        
P   1
  1      0.0190000              1.0000000        
D   1
  1     28.9500000              1.0000000        
D   1
  1      7.7080000              1.0000000        
D   1
  1      2.4950000              1.0000000        
D   1
  1      0.7655000              1.0000000        
D   1
  1      0.1889000              1.0000000        
D   1
  1      0.0587000              1.0000000        


name: LANL08+
description: uncontracted basis set + diffuse d function
elt: Mn
data:
MANGANESE
S   1
  1      5.9140000              1.0000000        
S   1
  1      1.6050000              1.0000000        
S   1
  1      0.6260000              1.0000000        
S   1
  1      0.1115000              1.0000000        
S   1
  1      0.0380000              1.0000000        
P   1
  1     18.2000000              1.0000000        
P   1
  1      2.1410000              1.0000000        
P   1
  1      0.7009000              1.0000000        
P   1
  1      0.0690000              1.0000000        
P   1
  1      0.0210000              1.0000000        
D   1
  1     32.2700000              1.0000000        
D   1
  1      8.8750000              1.0000000        
D   1
  1      2.8900000              1.0000000        
D   1
  1      0.8761000              1.0000000        
D   1
  1      0.2120000              1.0000000        
D   1
  1      0.0670000              1.0000000        


name: LANL08+
description: uncontracted basis set + diffuse d function
elt: Fe
data:
IRON
S   1
  1      6.4220000              1.0000000        
S   1
  1      1.8260000              1.0000000        
S   1
  1      0.7135000              1.0000000        
S   1
  1      0.1021000              1.0000000        
S   1
  1      0.0363000              1.0000000        
P   1
  1     19.4800000              1.0000000        
P   1
  1      2.3890000              1.0000000        
P   1
  1      0.7795000              1.0000000        
P   1
  1      0.0740000              1.0000000        
P   1
  1      0.0220000              1.0000000        
D   1
  1     37.0800000              1.0000000        
D   1
  1     10.1000000              1.0000000        
D   1
  1      3.2200000              1.0000000        
D   1
  1      0.9628000              1.0000000        
D   1
  1      0.2262000              1.0000000        
D   1
  1      0.0706000              1.0000000        


name: LANL08+
description: uncontracted basis set + diffuse d function
elt: Co
data:
COBALT
S   1
  1      7.1760000              1.0000000        
S   1
  1      2.0090000              1.0000000        
S   1
  1      0.8055000              1.0000000        
S   1
  1      0.1070000              1.0000000        
S   1
  1      0.0375000              1.0000000        
P   1
  1     21.3900000              1.0000000        
P   1
  1      2.6500000              1.0000000        
P   1
  1      0.8619000              1.0000000        
P   1
  1      0.0800000              1.0000000        
P   1
  1      0.0230000              1.0000000        
D   1
  1     39.2500000              1.0000000        
D   1
  1     10.7800000              1.0000000        
D   1
  1      3.4960000              1.0000000        
D   1
  1      1.0660000              1.0000000        
D   1
  1      0.2606000              1.0000000        
D   1
  1      0.0822000              1.0000000        


name: LANL08+
description: uncontracted basis set + diffuse d function
elt: Ni
data:
NICKEL
S   1
  1      7.6200000              1.0000000        
S   1
  1      2.2940000              1.0000000        
S   1
  1      0.8760000              1.0000000        
S   1
  1      0.1153000              1.0000000        
S   1
  1      0.0396000              1.0000000        
P   1
  1     23.6600000              1.0000000        
P   1
  1      2.8930000              1.0000000        
P   1
  1      0.9435000              1.0000000        
P   1
  1      0.0840000              1.0000000        
P   1
  1      0.0240000              1.0000000        
D   1
  1     42.7200000              1.0000000        
D   1
  1     11.7600000              1.0000000        
D   1
  1      3.8170000              1.0000000        
D   1
  1      1.1690000              1.0000000        
D   1
  1      0.2836000              1.0000000        
D   1
  1      0.0898000              1.0000000        


name: LANL08+
description: uncontracted basis set + diffuse d function
elt: Cu
data:
COPPER
S   1
  1      8.1760000              1.0000000        
S   1
  1      2.5680000              1.0000000        
S   1
  1      0.9587000              1.0000000        
S   1
  1      0.1153000              1.0000000        
S   1
  1      0.0396000              1.0000000        
P   1
  1     25.6300000              1.0000000        
P   1
  1      3.1660000              1.0000000        
P   1
  1      1.0230000              1.0000000        
P   1
  1      0.0860000              1.0000000        
P   1
  1      0.0240000              1.0000000        
D   1
  1     41.3400000              1.0000000        
D   1
  1     11.4200000              1.0000000        
D   1
  1      3.8390000              1.0000000        
D   1
  1      1.2300000              1.0000000        
D   1
  1      0.3102000              1.0000000        
D   1
  1      0.1010000              1.0000000        


name: LANL08+
description: uncontracted basis set + diffuse d function
elt: Zn
data:
ZINC
S   1
  1      0.7997000              1.0000000        
S   1
  1      0.1752000              1.0000000        
S   1
  1      0.0556000              1.0000000        
P   1
  1      0.1202000              1.0000000        
P   1
  1      0.0351000              1.0000000        
D   1
  1     68.8500000              1.0000000        
D   1
  1     18.3200000              1.0000000        
D   1
  1      5.9220000              1.0000000        
D   1
  1      1.9270000              1.0000000        
D   1
  1      0.5528000              1.0000000        
D   1
  1      0.1700000              1.0000000        


name: LANL08d
description: Uncontracted basis + Polarization + Diffuse ECP
elt: Si
data:
SILICON
S   1
  1      1.2220000              1.0000000        
S   1
  1      0.2595000              1.0000000        
S   1
  1      0.0931000              1.0000000        
P   1
  1      2.5800000              1.0000000        
P   1
  1      0.2984000              1.0000000        
P   1
  1      0.0885000              1.0000000        
P   1
  1      0.0237000              1.0000000        
D   1
  1      0.2960000              1.0000000        


name: LANL08d
description: Uncontracted basis + Polarization + Diffuse ECP
elt: P
data:
PHOSPHOROUS
S   1
  1      1.5160000              1.0000000        
S   1
  1      0.3369000              1.0000000        
S   1
  1      0.1211000              1.0000000        
P   1
  1      3.7050000              1.0000000        
P   1
  1      0.3934000              1.0000000        
P   1
  1      0.1190000              1.0000000        
P   1
  1      0.0298000              1.0000000        
D   1
  1      0.3640000              1.0000000        


name: LANL08d
description: Uncontracted basis + Polarization + Diffuse ECP
elt: S
data:
SULFUR
S   1
  1      1.8500000              1.0000000        
S   1
  1      0.4035000              1.0000000        
S   1
  1      0.1438000              1.0000000        
P   1
  1      4.9450000              1.0000000        
P   1
  1      0.4870000              1.0000000        
P   1
  1      0.1379000              1.0000000        
P   1
  1      0.0347000              1.0000000        
D   1
  1      0.4960000              1.0000000        


name: LANL08d
description: Uncontracted basis + Polarization + Diffuse ECP
elt: Cl
data:
CHLORINE
S   1
  1      2.2310000              1.0000000        
S   1
  1      0.4720000              1.0000000        
S   1
  1      0.1631000              1.0000000        
P   1
  1      6.2960000              1.0000000        
P   1
  1      0.6333000              1.0000000        
P   1
  1      0.1819000              1.0000000        
P   1
  1      0.0467000              1.0000000        
D   1
  1      0.6480000              1.0000000        


name: LANL08d
description: Uncontracted basis + Polarization + Diffuse ECP
elt: Ge
data:
GERMANIUM
S   1
  1      0.8935000              1.0000000        
S   1
  1      0.4424000              1.0000000        
S   1
  1      0.1162000              1.0000000        
P   1
  1      1.8770000              1.0000000        
P   1
  1      0.2623000              1.0000000        
P   1
  1      0.0798000              1.0000000        
P   1
  1      0.0209000              1.0000000        
D   1
  1      0.2460000              1.0000000        


name: LANL08d
description: Uncontracted basis + Polarization + Diffuse ECP
elt: As
data:
ARSENIC
S   1
  1      0.9635000              1.0000000        
S   1
  1      0.5427000              1.0000000        
S   1
  1      0.1407000              1.0000000        
P   1
  1      2.0840000              1.0000000        
P   1
  1      0.3224000              1.0000000        
P   1
  1      0.1020000              1.0000000        
P   1
  1      0.0263000              1.0000000        
D   1
  1      0.2860000              1.0000000        


name: LANL08d
description: Uncontracted basis + Polarization + Diffuse ECP
elt: Se
data:
SELENIUM
S   1
  1      1.0330000              1.0000000        
S   1
  1      0.6521000              1.0000000        
S   1
  1      0.1660000              1.0000000        
P   1
  1      2.3660000              1.0000000        
P   1
  1      0.3833000              1.0000000        
P   1
  1      0.1186000              1.0000000        
P   1
  1      0.0328000              1.0000000        
D   1
  1      0.3630000              1.0000000        


name: LANL08d
description: Uncontracted basis + Polarization + Diffuse ECP
elt: Br
data:
BROMINE
S   1
  1      1.1590000              1.0000000        
S   1
  1      0.7107000              1.0000000        
S   1
  1      0.1905000              1.0000000        
P   1
  1      2.6910000              1.0000000        
P   1
  1      0.4446000              1.0000000        
P   1
  1      0.1377000              1.0000000        
P   1
  1      0.0376000              1.0000000        
D   1
  1      0.4340000              1.0000000        


name: LANL08d
description: Uncontracted basis + Polarization + Diffuse ECP
elt: Sn
data:
TIN
S   1
  1      0.5418000              1.0000000        
S   1
  1      0.3784000              1.0000000        
S   1
  1      0.0926000              1.0000000        
P   1
  1      1.0470000              1.0000000        
P   1
  1      0.1932000              1.0000000        
P   1
  1      0.0630000              1.0000000        
P   1
  1      0.0174000              1.0000000        
D   1
  1      0.1860000              1.0000000        


name: LANL08d
description: Uncontracted basis + Polarization + Diffuse ECP
elt: Sb
data:
ANTIMONY
S   1
  1      0.5863000              1.0000000        
S   1
  1      0.4293000              1.0000000        
S   1
  1      0.1078000              1.0000000        
P   1
  1      1.1110000              1.0000000        
P   1
  1      0.2365000              1.0000000        
P   1
  1      0.0800000              1.0000000        
P   1
  1      0.0220000              1.0000000        
D   1
  1      0.2070000              1.0000000        


name: LANL08d
description: Uncontracted basis + Polarization + Diffuse ECP
elt: Te
data:
TELLURIUM
S   1
  1      0.6938000              1.0000000        
S   1
  1      0.4038000              1.0000000        
S   1
  1      0.1165000              1.0000000        
P   1
  1      1.2310000              1.0000000        
P   1
  1      0.2756000              1.0000000        
P   1
  1      0.0911000              1.0000000        
P   1
  1      0.0274000              1.0000000        
D   1
  1      0.2500000              1.0000000        


name: LANL08d
description: Uncontracted basis + Polarization + Diffuse ECP
elt: I
data:
IODINE
S   1
  1      0.7242000              1.0000000        
S   1
  1      0.4653000              1.0000000        
S   1
  1      0.1336000              1.0000000        
P   1
  1      1.2900000              1.0000000        
P   1
  1      0.3180000              1.0000000        
P   1
  1      0.1053000              1.0000000        
P   1
  1      0.0308000              1.0000000        
D   1
  1      0.2940000              1.0000000        


name: LANL08d
description: Uncontracted basis + Polarization + Diffuse ECP
elt: Pb
data:
LEAD
S   1
  1      0.5135000              1.0000000        
S   1
  1      0.3756000              1.0000000        
S   1
  1      0.0944000              1.0000000        
P   1
  1      0.8748000              1.0000000        
P   1
  1      0.1843000              1.0000000        
P   1
  1      0.0598000              1.0000000        
P   1
  1      0.0168000              1.0000000        
D   1
  1      0.1790000              1.0000000        


name: LANL08d
description: Uncontracted basis + Polarization + Diffuse ECP
elt: Bi
data:
BISMUTH
S   1
  1      0.5744000              1.0000000        
S   1
  1      0.3851000              1.0000000        
S   1
  1      0.1050000              1.0000000        
P   1
  1      0.9105000              1.0000000        
P   1
  1      0.2194000              1.0000000        
P   1
  1      0.0745000              1.0000000        
P   1
  1      0.0204000              1.0000000        
D   1
  1      0.1920000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: H
data:
HYDROGEN
S   3
  1     19.2384000              0.0328280        
  2      2.8987000              0.2312040        
  3      0.6535000              0.8172260        
S   1
  1      0.1776000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: Li
data:
LITHIUM
S   7
  1    921.3000000              0.0013670        
  2    138.7000000              0.0104250        
  3     31.9400000              0.0498590        
  4      9.3530000              0.1607010        
  5      3.1580000              0.3446040        
  6      1.1570000              0.4251970        
  7      0.4446000              0.1694680        
S   2
  1      0.4446000             -0.2223110        
  2      0.0766600              1.1164770        
S   1
  1      0.0286400              1.0000000        
P   3
  1      1.4880000              0.0387700        
  2      0.2667000              0.2362570        
  3      0.0720100              0.8304480        
P   1
  1      0.0237000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: Be
data:
BERYLLIUM
S   7
  1   1741.0000000              0.0013050        
  2    262.1000000              0.0099550        
  3     60.3300000              0.0480310        
  4     17.6200000              0.1585770        
  5      5.9330000              0.3513250        
  6      2.1850000              0.4270060        
  7      0.8590000              0.1604900        
S   2
  1      2.1850000             -0.1852940        
  2      0.1806000              1.0570140        
S   1
  1      0.0583500              1.0000000        
P   4
  1      6.7100000              0.0163780        
  2      1.4420000              0.0915530        
  3      0.4103000              0.3414690        
  4      0.1397000              0.6854280        
P   1
  1      0.0492200              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: B
data:
BORON
S   7
  1   2788.0000000              0.0012880        
  2    419.0000000              0.0098350        
  3     96.4700000              0.0476480        
  4     28.0700000              0.1600690        
  5      9.3760000              0.3628940        
  6      3.4060000              0.4335820        
  7      1.3060000              0.1400820        
S   2
  1      3.4060000             -0.1793300        
  2      0.3245000              1.0625940        
S   1
  1      0.1022000              1.0000000        
P   4
  1     11.3400000              0.0179880        
  2      2.4360000              0.1103430        
  3      0.6836000              0.3830720        
  4      0.2134000              0.6478950        
P   1
  1      0.0701100              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: C
data:
CARBON
S   7
  1   4233.0000000              0.0012200        
  2    634.9000000              0.0093420        
  3    146.1000000              0.0454520        
  4     42.5000000              0.1546570        
  5     14.1900000              0.3588660        
  6      5.1480000              0.4386320        
  7      1.9670000              0.1459180        
S   2
  1      5.1480000             -0.1683670        
  2      0.4962000              1.0600910        
S   1
  1      0.1533000              1.0000000        
P   4
  1     18.1600000              0.0185390        
  2      3.9860000              0.1154360        
  3      1.1430000              0.3861880        
  4      0.3594000              0.6401140        
P   1
  1      0.1146000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: N
data:
NITROGEN
S   7
  1   5909.0000000              0.0011900        
  2    887.5000000              0.0090990        
  3    204.7000000              0.0441450        
  4     59.8400000              0.1504640        
  5     20.0000000              0.3567410        
  6      7.1930000              0.4465330        
  7      2.6860000              0.1456030        
S   2
  1      7.1930000             -0.1604050        
  2      0.7000000              1.0582150        
S   1
  1      0.2133000              1.0000000        
P   4
  1     26.7900000              0.0182540        
  2      5.9560000              0.1164610        
  3      1.7070000              0.3901780        
  4      0.5314000              0.6371020        
P   1
  1      0.1654000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: O
data:
OXYGEN
S   7
  1   7817.0000000              0.0011760        
  2   1176.0000000              0.0089680        
  3    273.2000000              0.0428680        
  4     81.1700000              0.1439300        
  5     27.1800000              0.3556300        
  6      9.5320000              0.4612480        
  7      3.4140000              0.1402060        
S   2
  1      9.5320000             -0.1541530        
  2      0.9398000              1.0569140        
S   1
  1      0.2846000              1.0000000        
P   4
  1     35.1800000              0.0195800        
  2      7.9040000              0.1242000        
  3      2.3050000              0.3947140        
  4      0.7171000              0.6273760        
P   1
  1      0.2137000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: F
data:
FLUORINE
S   7
  1   9995.0000000              0.0011600        
  2   1506.0000000              0.0088700        
  3    350.3000000              0.0423800        
  4    104.1000000              0.1429290        
  5     34.8400000              0.3553720        
  6     12.2200000              0.4620850        
  7      4.3690000              0.1408480        
S   2
  1     12.2200000             -0.1484520        
  2      1.2080000              1.0552700        
S   1
  1      0.3634000              1.0000000        
P   4
  1     44.3600000              0.0208760        
  2     10.0800000              0.1301070        
  3      2.9960000              0.3961660        
  4      0.9383000              0.6204040        
P   1
  1      0.2733000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: Ne
data:
NEON
S   7
  1  12100.0000000              0.0012000        
  2   1821.0000000              0.0090920        
  3    432.8000000              0.0413050        
  4    132.5000000              0.1378670        
  5     43.7700000              0.3624330        
  6     14.9100000              0.4722470        
  7      5.1270000              0.1300350        
S   2
  1     14.9100000             -0.1408100        
  2      1.4910000              1.0533270        
S   1
  1      0.4468000              1.0000000        
P   4
  1     56.4500000              0.0208750        
  2     12.9200000              0.1300320        
  3      3.8650000              0.3956790        
  4      1.2030000              0.6214500        
P   1
  1      0.3444000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: Na
data:
SODIUM
S   2
  1      0.4972000             -0.2753574        
  2      0.0560000              1.0989969        
S   1
  1      0.0221000              1.0000000        
P   2
  1      0.6697000             -0.0683845        
  2      0.0636000              1.0140550        
P   1
  1      0.0204000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: Mg
data:
MAGNESIUM
S   2
  1      0.7250000             -0.4058454        
  2      0.1112000              1.1688704        
S   1
  1      0.0404000              1.0000000        
P   2
  1      1.2400000             -0.0749753        
  2      0.1346000              1.0178183        
P   1
  1      0.0422000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: Al
data:
ALUMINUM
S   2
  1      0.9615000             -0.5021546        
  2      0.1819000              1.2342547        
S   1
  1      0.0657000              1.0000000        
P   2
  1      1.9280000             -0.0712584        
  2      0.2013000              1.0162966        
P   1
  1      0.0580000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: Si
data:
SILICON
S   2
  1      1.2220000             -0.5707339        
  2      0.2595000              1.2823826        
S   1
  1      0.0931000              1.0000000        
P   2
  1      2.5800000             -0.0777250        
  2      0.2984000              1.0197870        
P   1
  1      0.0885000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: P
data:
PHOSPHOROUS
S   2
  1      1.5160000             -0.5862089        
  2      0.3369000              1.2994376        
S   1
  1      0.1211000              1.0000000        
P   2
  1      3.7050000             -0.0691472        
  2      0.3934000              1.0161988        
P   1
  1      0.1190000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: S
data:
SULFUR
S   2
  1      1.8500000             -0.5324335        
  2      0.4035000              1.2763801        
S   1
  1      0.1438000              1.0000000        
P   2
  1      4.9450000             -0.0608116        
  2      0.4870000              1.0132686        
P   1
  1      0.1379000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: Cl
data:
CHLORINE
S   2
  1      2.2310000             -0.4900589        
  2      0.4720000              1.2542684        
S   1
  1      0.1631000              1.0000000        
P   2
  1      6.2960000             -0.0635641        
  2      0.6333000              1.0141355        
P   1
  1      0.1819000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: Ar
data:
ARGON
S   2
  1      2.6130000             -0.5110463        
  2      0.5736000              1.2701236        
S   1
  1      0.2014000              1.0000000        
P   2
  1      7.8600000             -0.0555167        
  2      0.7387000              1.0115982        
P   1
  1      0.2081000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: K
data:
POTASSIUM
S   3
  1      3.0720000             -0.3083067        
  2      0.6752000              0.7820711        
  3      0.2545000              0.4142883        
S   4
  1      3.0720000              0.1894087        
  2      0.6752000             -0.5472332        
  3      0.2545000             -0.7576458        
  4      0.0529000              0.9952157        
S   1
  1      0.0209000              1.0000000        
P   3
  1      8.2330000             -0.0419919        
  2      0.9526000              0.5776819        
  3      0.3013000              0.5234611        
P   1
  1      0.0376000              1.0000000        
P   1
  1      0.0140000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: Zn
data:
ZINC
S   2
  1      0.7997000             -0.6486112        
  2      0.1752000              1.3138291        
S   1
  1      0.0556000              1.0000000        
P   1
  1      0.1202000              1.0000000        
P   1
  1      0.0351000              1.0000000        
D   4
  1     68.8500000              0.0258532        
  2     18.3200000              0.1651195        
  3      5.9220000              0.4468212        
  4      1.9270000              0.5831080        
D   1
  1      0.5528000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: Ga
data:
GALLIUM
S   2
  1      0.8306000             -1.6759436        
  2      0.3392000              1.9877108        
S   1
  1      0.0918000              1.0000000        
P   2
  1      1.6750000             -0.0856107        
  2      0.2030000              1.0226850        
P   1
  1      0.0579000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: Ge
data:
GERMANIUM
S   2
  1      0.8935000             -2.1756591        
  2      0.4424000              2.4493467        
S   1
  1      0.1162000              1.0000000        
P   2
  1      1.8770000             -0.1006779        
  2      0.2623000              1.0306256        
P   1
  1      0.0798000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: As
data:
ARSENIC
S   2
  1      0.9635000             -2.6709549        
  2      0.5427000              2.9387892        
S   1
  1      0.1407000              1.0000000        
P   2
  1      2.0840000             -0.1137100        
  2      0.3224000              1.0380266        
P   1
  1      0.1020000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: Se
data:
SELENIUM
S   2
  1      1.0330000             -3.3224095        
  2      0.6521000              3.6003462        
S   1
  1      0.1660000              1.0000000        
P   2
  1      2.3660000             -0.1185522        
  2      0.3833000              1.0414320        
P   1
  1      0.1186000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: Br
data:
BROMINE
S   2
  1      1.1590000             -3.0378769        
  2      0.7107000              3.3703735        
S   1
  1      0.1905000              1.0000000        
P   2
  1      2.6910000             -0.1189800        
  2      0.4446000              1.0424471        
P   1
  1      0.1377000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: Kr
data:
KRYPTON
S   2
  1      1.2270000             -4.0317198        
  2      0.8457000              4.3554125        
S   1
  1      0.2167000              1.0000000        
P   2
  1      2.9200000             -0.1330685        
  2      0.5169000              1.0502807        
P   1
  1      0.1614000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: Cd
data:
CADMIUM
S   2
  1      0.5095000             -1.2713002        
  2      0.1924000              1.8002112        
S   1
  1      0.0544000              1.0000000        
P   2
  1      0.8270000             -0.1083020        
  2      0.1287000              1.0367049        
P   1
  1      0.0405000              1.0000000        
D   3
  1      5.1480000              0.0703071        
  2      1.9660000              0.5138427        
  3      0.7360000              0.5416758        
D   1
  1      0.2479000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: In
data:
INDIUM
S   2
  1      0.4915000             -4.2418681        
  2      0.3404000              4.4784826        
S   1
  1      0.0774000              1.0000000        
P   2
  1      0.9755000             -0.1226473        
  2      0.1550000              1.0417571        
P   1
  1      0.0474000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: Sn
data:
TIN
S   2
  1      0.5418000             -4.2089644        
  2      0.3784000              4.5198368        
S   1
  1      0.0926000              1.0000000        
P   2
  1      1.0470000             -0.1417678        
  2      0.1932000              1.0554488        
P   1
  1      0.0630000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: Sb
data:
ANTIMONY
S   2
  1      0.5863000             -4.7537662        
  2      0.4293000              5.1096593        
S   1
  1      0.1078000              1.0000000        
P   2
  1      1.1110000             -0.1811707        
  2      0.2365000              1.0791649        
P   1
  1      0.0800000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: Te
data:
TELLURIUM
S   2
  1      0.6938000             -2.4115013        
  2      0.4038000              2.9179976        
S   1
  1      0.1165000              1.0000000        
P   2
  1      1.2310000             -0.1923340        
  2      0.2756000              1.0876382        
P   1
  1      0.0911000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: I
data:
IODINE
S   2
  1      0.7242000             -2.9731048        
  2      0.4653000              3.4827643        
S   1
  1      0.1336000              1.0000000        
P   2
  1      1.2900000             -0.2092377        
  2      0.3180000              1.1035347        
P   1
  1      0.1053000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: Xe
data:
XENON
S   2
  1      0.7646000             -3.6543172        
  2      0.5322000              4.1674919        
S   1
  1      0.1491000              1.0000000        
P   2
  1      1.2110000             -0.2616924        
  2      0.3808000              1.1570355        
P   1
  1      0.1259000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: Au
data:
GOLD
S   3
  1      2.8090000             -1.2021556        
  2      1.5950000              1.6741578        
  3      0.5327000              0.3526593        
S   4
  1      2.8090000              1.1608481        
  2      1.5950000             -1.8642846        
  3      0.5327000             -1.0356230        
  4      0.2826000              1.3064399        
S   1
  1      0.0598000              1.0000000        
P   3
  1      3.6840000             -0.2802681        
  2      1.6660000              0.7818398        
  3      0.5989000              0.4804776        
P   2
  1      0.6838000             -0.0952078        
  2      0.0977000              1.0299147        
P   1
  1      0.0279000              1.0000000        
D   2
  1      1.2870000              0.5844273        
  2      0.4335000              0.5298161        
D   1
  1      0.1396000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: Hg
data:
MERCURY
S   2
  1      0.5275000             -0.4911676        
  2      0.2334000              0.6044070        
S   1
  1      0.0686100              1.0000000        
P   2
  1      0.6503000             -0.0672271        
  2      0.1368000              0.4979023        
P   1
  1      0.0425600              1.0000000        
D   2
  1      1.4840000              0.4899927        
  2      0.5605000              0.4932711        
D   1
  1      0.1923000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: Tl
data:
THALLIUM
S   2
  1      0.5355000             -0.8008350        
  2      0.3082000              0.9220130        
S   1
  1      0.0818300              1.0000000        
P   2
  1      0.7977000             -0.0690671        
  2      0.1498000              0.5109710        
P   1
  1      0.0443500              1.0000000        
D   2
  1      8.6550000              0.0156029        
  2      1.4150000              0.6226510        
D   1
  1      0.4442000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: Pb
data:
LEAD
S   2
  1      0.5135000             -4.3675036        
  2      0.3756000              4.8504656        
S   1
  1      0.0944000              1.0000000        
P   2
  1      0.8748000             -0.1793128        
  2      0.1843000              1.0776505        
P   1
  1      0.0598000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: Bi
data:
BISMUTH
S   2
  1      0.5744000             -3.2278875        
  2      0.3851000              3.7637689        
S   1
  1      0.1050000              1.0000000        
P   2
  1      0.9105000             -0.2164189        
  2      0.2194000              1.1041867        
P   1
  1      0.0745000              1.0000000        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: U
data:
URANIUM
S   4
  1      2.4440000              0.2802780        
  2      1.4330000             -1.3231100        
  3      0.6677000              1.3949990        
  4      0.2556000              0.4531230        
S   5
  1      2.4440000             -0.0837540        
  2      1.4330000              0.6082360        
  3      0.6677000             -0.8184330        
  4      0.2556000             -0.9057530        
  5      0.1200000              1.2340200        
S   1
  1      0.0400000              1.0000000        
P   3
  1      1.1380000             -0.5581500        
  2      0.6874000              0.9701720        
  3      0.2506000              0.5419030        
P   4
  1      1.1380000              0.2257630        
  2      0.6874000             -0.4204690        
  3      0.2506000             -0.5459030        
  4      0.1200000              0.7429360        
P   1
  1      0.0400000              1.0000000        
D   1
  1      0.3826000              1.0000000        
D   1
  1      0.1473000              1.0000000        
F   2
  1      4.1130000              0.2189930        
  2      1.6970000              0.4595390        
F   2
  1      0.6774000              0.4216990        
  2      0.2510000              0.1790660        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: Np
data:
NEPTUNIUM
S   4
  1      2.3780000              0.5719500        
  2      1.5750000             -1.9571550        
  3      0.8950000              1.4731800        
  4      0.3180000              0.7126170        
S   5
  1      2.3780000             -0.2204320        
  2      1.5750000              0.9324950        
  3      0.8950000             -0.8246300        
  4      0.3180000             -0.9022650        
  5      0.1130000              1.1030570        
S   1
  1      0.0400000              1.0000000        
P   3
  1      1.3050000             -0.4680230        
  2      0.7210000              0.8473720        
  3      0.2690000              0.5628310        
P   4
  1      1.3050000              0.1995460        
  2      0.7210000             -0.3949300        
  3      0.2690000             -0.4360310        
  4      0.1000000              0.7862530        
P   1
  1      0.0374000              1.0000000        
D   1
  1      0.3960000              1.0000000        
D   1
  1      0.1500000              1.0000000        
F   2
  1      4.7910000              0.1853610        
  2      1.9830000              0.4568540        
F   2
  1      0.7890000              0.4369420        
  2      0.2900000              0.1981980        


name: LANL2DZ ECP
description: DZ Double Zeta Basis Set designed for an ECP
elt: Pu
data:
PLUTONIUM
S   5
  1     11.5600000             -0.0364860        
  2      2.4870000              1.6156990        
  3      1.7990000             -3.6388560        
  4      1.1760000              2.0314710        
  5      0.3590000              0.8533040        
S   6
  1     11.5600000              0.0175310        
  2      2.4870000             -0.7027910        
  3      1.7990000              1.7339680        
  4      1.1760000             -1.0902960        
  5      0.3590000             -0.9450600        
  6      0.1130000              1.1062660        
S   1
  1      0.0400000              1.0000000        
P   4
  1      2.5800000              0.2005000        
  2      1.6220000             -0.5912260        
  3      0.7482000              0.7974730        
  4      0.2793000              0.5635550        
P   5
  1      2.5800000             -0.0697090        
  2      1.6220000              0.2196110        
  3      0.7482000             -0.3575470        
  4      0.2793000             -0.4281660        
  5      0.1000000              0.7932680        
P   1
  1      0.0370000              1.0000000        
D   1
  1      0.4090000              1.0000000        
D   1
  1      0.1520000              1.0000000        
F   2
  1      4.8570000              0.2066870        
  2      2.0310000              0.4696250        
F   2
  1      0.8150000              0.4212150        
  2      0.3020000              0.1725220        


name: LANL2DZdp ECP
description: DZP Double Zeta + Polarization + Diffuse ECP
elt: H
data:
HYDROGEN
S   3
  1     19.2384000              0.0328280        
  2      2.8987000              0.2312040        
  3      0.6535000              0.8172260        
S   1
  1      0.1776000              1.0000000        
S   1
  1      0.0498000              1.0000000        
P   1
  1      0.3560000              1.0000000        


name: LANL2DZdp ECP
description: DZP Double Zeta + Polarization + Diffuse ECP
elt: C
data:
CARBON
S   7
  1   4233.0000000              0.0012200        
  2    634.9000000              0.0093420        
  3    146.1000000              0.0454520        
  4     42.5000000              0.1546570        
  5     14.1900000              0.3588660        
  6      5.1480000              0.4386320        
  7      1.9670000              0.1459180        
S   2
  1      5.1480000             -0.1683670        
  2      0.4962000              1.0600910        
S   1
  1      0.1533000              1.0000000        
P   4
  1     18.1600000              0.0185390        
  2      3.9860000              0.1154360        
  3      1.1430000              0.3861880        
  4      0.3594000              0.6401140        
P   1
  1      0.1146000              1.0000000        
P   1
  1      0.0311000              1.0000000        
D   1
  1      0.5870000              1.0000000        


name: LANL2DZdp ECP
description: DZP Double Zeta + Polarization + Diffuse ECP
elt: N
data:
NITROGEN
S   7
  1   5909.0000000              0.0011900        
  2    887.5000000              0.0090990        
  3    204.7000000              0.0441450        
  4     59.8400000              0.1504640        
  5     20.0000000              0.3567410        
  6      7.1930000              0.4465330        
  7      2.6860000              0.1456030        
S   2
  1      7.1930000             -0.1604050        
  2      0.7000000              1.0582150        
S   1
  1      0.2133000              1.0000000        
P   4
  1     26.7900000              0.0182540        
  2      5.9560000              0.1164610        
  3      1.7070000              0.3901780        
  4      0.5314000              0.6371020        
P   1
  1      0.1654000              1.0000000        
P   1
  1      0.0533000              1.0000000        
D   1
  1      0.7360000              1.0000000        


name: LANL2DZdp ECP
description: DZP Double Zeta + Polarization + Diffuse ECP
elt: O
data:
OXYGEN
S   7
  1   7817.0000000              0.0011760        
  2   1176.0000000              0.0089680        
  3    273.2000000              0.0428680        
  4     81.1700000              0.1439300        
  5     27.1800000              0.3556300        
  6      9.5320000              0.4612480        
  7      3.4140000              0.1402060        
S   2
  1      9.5320000             -0.1541530        
  2      0.9398000              1.0569140        
S   1
  1      0.2846000              1.0000000        
P   4
  1     35.1800000              0.0195800        
  2      7.9040000              0.1242000        
  3      2.3050000              0.3947140        
  4      0.7171000              0.6273760        
P   1
  1      0.2137000              1.0000000        
P   1
  1      0.0673000              1.0000000        
D   1
  1      0.9610000              1.0000000        


name: LANL2DZdp ECP
description: DZP Double Zeta + Polarization + Diffuse ECP
elt: F
data:
FLUORINE
S   7
  1   9995.0000000              0.0011600        
  2   1506.0000000              0.0088700        
  3    350.3000000              0.0423800        
  4    104.1000000              0.1429290        
  5     34.8400000              0.3553720        
  6     12.2200000              0.4620850        
  7      4.3690000              0.1408480        
S   2
  1     12.2200000             -0.1484520        
  2      1.2080000              1.0552700        
S   1
  1      0.3634000              1.0000000        
P   4
  1     44.3600000              0.0208760        
  2     10.0800000              0.1301070        
  3      2.9960000              0.3961660        
  4      0.9383000              0.6204040        
P   1
  1      0.2733000              1.0000000        
P   1
  1      0.0737000              1.0000000        
D   1
  1      1.5770000              1.0000000        


name: LANL2DZdp ECP
description: DZP Double Zeta + Polarization + Diffuse ECP
elt: Si
data:
SILICON
S   2
  1      1.2220000             -0.5707339        
  2      0.2595000              1.2823826        
S   1
  1      0.0931000              1.0000000        
P   2
  1      2.5800000             -0.0777250        
  2      0.2984000              1.0197870        
P   1
  1      0.0885000              1.0000000        
P   1
  1      0.0237000              1.0000000        
D   1
  1      0.2960000              1.0000000        


name: LANL2DZdp ECP
description: DZP Double Zeta + Polarization + Diffuse ECP
elt: P
data:
PHOSPHOROUS
S   2
  1      1.5160000             -0.5862089        
  2      0.3369000              1.2994376        
S   1
  1      0.1211000              1.0000000        
P   2
  1      3.7050000             -0.0691472        
  2      0.3934000              1.0161988        
P   1
  1      0.1190000              1.0000000        
P   1
  1      0.0298000              1.0000000        
D   1
  1      0.3640000              1.0000000        


name: LANL2DZdp ECP
description: DZP Double Zeta + Polarization + Diffuse ECP
elt: S
data:
SULFUR
S   2
  1      1.8500000             -0.5324335        
  2      0.4035000              1.2763801        
S   1
  1      0.1438000              1.0000000        
P   2
  1      4.9450000             -0.0608116        
  2      0.4870000              1.0132686        
P   1
  1      0.1379000              1.0000000        
P   1
  1      0.0347000              1.0000000        
D   1
  1      0.4960000              1.0000000        


name: LANL2DZdp ECP
description: DZP Double Zeta + Polarization + Diffuse ECP
elt: Cl
data:
CHLORINE
S   2
  1      2.2310000             -0.4900589        
  2      0.4720000              1.2542684        
S   1
  1      0.1631000              1.0000000        
P   2
  1      6.2960000             -0.0635641        
  2      0.6333000              1.0141355        
P   1
  1      0.1819000              1.0000000        
P   1
  1      0.0467000              1.0000000        
D   1
  1      0.6480000              1.0000000        


name: LANL2DZdp ECP
description: DZP Double Zeta + Polarization + Diffuse ECP
elt: Ge
data:
GERMANIUM
S   2
  1      0.8935000             -2.1756591        
  2      0.4424000              2.4493467        
S   1
  1      0.1162000              1.0000000        
P   2
  1      1.8770000             -0.1006779        
  2      0.2623000              1.0306256        
P   1
  1      0.0798000              1.0000000        
P   1
  1      0.0209000              1.0000000        
D   1
  1      0.2460000              1.0000000        


name: LANL2DZdp ECP
description: DZP Double Zeta + Polarization + Diffuse ECP
elt: As
data:
ARSENIC
S   2
  1      0.9635000             -2.6709549        
  2      0.5427000              2.9387892        
S   1
  1      0.1407000              1.0000000        
P   2
  1      2.0840000             -0.1137100        
  2      0.3224000              1.0380266        
P   1
  1      0.1020000              1.0000000        
P   1
  1      0.0263000              1.0000000        
D   1
  1      0.2860000              1.0000000        


name: LANL2DZdp ECP
description: DZP Double Zeta + Polarization + Diffuse ECP
elt: Se
data:
SELENIUM
S   2
  1      1.0330000             -3.3224095        
  2      0.6521000              3.6003462        
S   1
  1      0.1660000              1.0000000        
P   2
  1      2.3660000             -0.1185522        
  2      0.3833000              1.0414320        
P   1
  1      0.1186000              1.0000000        
P   1
  1      0.0328000              1.0000000        
D   1
  1      0.3630000              1.0000000        


name: LANL2DZdp ECP
description: DZP Double Zeta + Polarization + Diffuse ECP
elt: Br
data:
BROMINE
S   2
  1      1.1590000             -3.0378769        
  2      0.7107000              3.3703735        
S   1
  1      0.1905000              1.0000000        
P   2
  1      2.6910000             -0.1189800        
  2      0.4446000              1.0424471        
P   1
  1      0.1377000              1.0000000        
P   1
  1      0.0376000              1.0000000        
D   1
  1      0.4340000              1.0000000        


name: LANL2DZdp ECP
description: DZP Double Zeta + Polarization + Diffuse ECP
elt: Sn
data:
TIN
S   2
  1      0.5418000             -4.2089644        
  2      0.3784000              4.5198368        
S   1
  1      0.0926000              1.0000000        
P   2
  1      1.0470000             -0.1417678        
  2      0.1932000              1.0554488        
P   1
  1      0.0630000              1.0000000        
P   1
  1      0.0174000              1.0000000        
D   1
  1      0.1860000              1.0000000        


name: LANL2DZdp ECP
description: DZP Double Zeta + Polarization + Diffuse ECP
elt: Sb
data:
ANTIMONY
S   2
  1      0.5863000             -4.7537662        
  2      0.4293000              5.1096593        
S   1
  1      0.1078000              1.0000000        
P   2
  1      1.1110000             -0.1811707        
  2      0.2365000              1.0791649        
P   1
  1      0.0800000              1.0000000        
P   1
  1      0.0220000              1.0000000        
D   1
  1      0.2070000              1.0000000        


name: LANL2DZdp ECP
description: DZP Double Zeta + Polarization + Diffuse ECP
elt: Te
data:
TELLURIUM
S   2
  1      0.6938000             -2.4115013        
  2      0.4038000              2.9179976        
S   1
  1      0.1165000              1.0000000        
P   2
  1      1.2310000             -0.1923340        
  2      0.2756000              1.0876382        
P   1
  1      0.0911000              1.0000000        
P   1
  1      0.0274000              1.0000000        
D   1
  1      0.2500000              1.0000000        


name: LANL2DZdp ECP
description: DZP Double Zeta + Polarization + Diffuse ECP
elt: I
data:
IODINE
S   2
  1      0.7242000             -2.9731048        
  2      0.4653000              3.4827643        
S   1
  1      0.1336000              1.0000000        
P   2
  1      1.2900000             -0.2092377        
  2      0.3180000              1.1035347        
P   1
  1      0.1053000              1.0000000        
P   1
  1      0.0308000              1.0000000        
D   1
  1      0.2940000              1.0000000        


name: LANL2DZdp ECP
description: DZP Double Zeta + Polarization + Diffuse ECP
elt: Pb
data:
LEAD
S   2
  1      0.5135000             -4.3675036        
  2      0.3756000              4.8504656        
S   1
  1      0.0944000              1.0000000        
P   2
  1      0.8748000             -0.1793128        
  2      0.1843000              1.0776505        
P   1
  1      0.0598000              1.0000000        
P   1
  1      0.0168000              1.0000000        
D   1
  1      0.1790000              1.0000000        


name: LANL2DZdp ECP
description: DZP Double Zeta + Polarization + Diffuse ECP
elt: Bi
data:
BISMUTH
S   2
  1      0.5744000             -3.2278875        
  2      0.3851000              3.7637689        
S   1
  1      0.1050000              1.0000000        
P   2
  1      0.9105000             -0.2164189        
  2      0.2194000              1.1041867        
P   1
  1      0.0745000              1.0000000        
P   1
  1      0.0204000              1.0000000        
D   1
  1      0.1920000              1.0000000        


name: LANL2DZdp ECP Polarization
description: 1P Polarization Functions
elt: H
data:
HYDROGEN
S   1
  1      0.0498000              1.0000000        
P   1
  1      0.3560000              1.0000000        


name: LANL2DZdp ECP Polarization
description: 1P Polarization Functions
elt: C
data:
CARBON
P   1
  1      0.0311000              1.0000000        
D   1
  1      0.5870000              1.0000000        


name: LANL2DZdp ECP Polarization
description: 1P Polarization Functions
elt: N
data:
NITROGEN
P   1
  1      0.0533000              1.0000000        
D   1
  1      0.7360000              1.0000000        


name: LANL2DZdp ECP Polarization
description: 1P Polarization Functions
elt: O
data:
OXYGEN
P   1
  1      0.0673000              1.0000000        
D   1
  1      0.9610000              1.0000000        


name: LANL2DZdp ECP Polarization
description: 1P Polarization Functions
elt: F
data:
FLUORINE
P   1
  1      0.0737000              1.0000000        
D   1
  1      1.5770000              1.0000000        


name: LANL2DZdp ECP Polarization
description: 1P Polarization Functions
elt: Si
data:
SILICON
P   1
  1      0.0237000              1.0000000        
D   1
  1      0.2960000              1.0000000        


name: LANL2DZdp ECP Polarization
description: 1P Polarization Functions
elt: P
data:
PHOSPHOROUS
P   1
  1      0.0298000              1.0000000        
D   1
  1      0.3640000              1.0000000        


name: LANL2DZdp ECP Polarization
description: 1P Polarization Functions
elt: S
data:
SULFUR
P   1
  1      0.0347000              1.0000000        
D   1
  1      0.4960000              1.0000000        


name: LANL2DZdp ECP Polarization
description: 1P Polarization Functions
elt: Cl
data:
CHLORINE
P   1
  1      0.0467000              1.0000000        
D   1
  1      0.6480000              1.0000000        


name: LANL2DZdp ECP Polarization
description: 1P Polarization Functions
elt: Ge
data:
GERMANIUM
P   1
  1      0.0209000              1.0000000        
D   1
  1      0.2460000              1.0000000        


name: LANL2DZdp ECP Polarization
description: 1P Polarization Functions
elt: As
data:
ARSENIC
P   1
  1      0.0263000              1.0000000        
D   1
  1      0.2860000              1.0000000        


name: LANL2DZdp ECP Polarization
description: 1P Polarization Functions
elt: Se
data:
SELENIUM
P   1
  1      0.0328000              1.0000000        
D   1
  1      0.3630000              1.0000000        


name: LANL2DZdp ECP Polarization
description: 1P Polarization Functions
elt: Br
data:
BROMINE
P   1
  1      0.0376000              1.0000000        
D   1
  1      0.4340000              1.0000000        


name: LANL2DZdp ECP Polarization
description: 1P Polarization Functions
elt: Sn
data:
TIN
P   1
  1      0.0174000              1.0000000        
D   1
  1      0.1860000              1.0000000        


name: LANL2DZdp ECP Polarization
description: 1P Polarization Functions
elt: Sb
data:
ANTIMONY
P   1
  1      0.0220000              1.0000000        
D   1
  1      0.2070000              1.0000000        


name: LANL2DZdp ECP Polarization
description: 1P Polarization Functions
elt: Te
data:
TELLURIUM
P   1
  1      0.0274000              1.0000000        
D   1
  1      0.2500000              1.0000000        


name: LANL2DZdp ECP Polarization
description: 1P Polarization Functions
elt: I
data:
IODINE
P   1
  1      0.0308000              1.0000000        
D   1
  1      0.2940000              1.0000000        


name: LANL2DZdp ECP Polarization
description: 1P Polarization Functions
elt: Pb
data:
LEAD
P   1
  1      0.0168000              1.0000000        
D   1
  1      0.1790000              1.0000000        


name: LANL2DZdp ECP Polarization
description: 1P Polarization Functions
elt: Bi
data:
BISMUTH
P   1
  1      0.0204000              1.0000000        
D   1
  1      0.1920000              1.0000000        


name: LANL2TZ
description: N/A
elt: Sc
data:
SCANDIUM
S   1
  1      3.7170000              1.0000000        
S   1
  1      1.0970000              1.0000000        
S   1
  1      0.4164000              1.0000000        
S   1
  1      0.0761000              1.0000000        
S   1
  1      0.0284000              1.0000000        
P   1
  1     10.4000000              1.0000000        
P   1
  1      1.3110000              1.0000000        
P   1
  1      0.4266000              1.0000000        
P   1
  1      0.0470000              1.0000000        
P   1
  1      0.0140000              1.0000000        
D   3
  1     15.1300000              0.0379291        
  2      4.2050000              0.1738360        
  3      1.3030000              0.4268057        
D   1
  1      0.3680000              1.0000000        
D   1
  1      0.0812000              1.0000000        


name: LANL2TZ
description: N/A
elt: Ti
data:
TITANIUM
S   1
  1      4.3720000              1.0000000        
S   1
  1      1.0980000              1.0000000        
S   1
  1      0.4178000              1.0000000        
S   1
  1      0.0872000              1.0000000        
S   1
  1      0.0314000              1.0000000        
P   1
  1     12.5200000              1.0000000        
P   1
  1      1.4910000              1.0000000        
P   1
  1      0.4859000              1.0000000        
P   1
  1      0.0530000              1.0000000        
P   1
  1      0.0160000              1.0000000        
D   3
  1     20.2100000              0.0341682        
  2      5.4950000              0.1710005        
  3      1.6990000              0.4405849        
D   1
  1      0.4840000              1.0000000        
D   1
  1      0.1157000              1.0000000        


name: LANL2TZ
description: N/A
elt: V
data:
VANADIUM
S   1
  1      4.5900000              1.0000000        
S   1
  1      1.4930000              1.0000000        
S   1
  1      0.5570000              1.0000000        
S   1
  1      0.0975000              1.0000000        
S   1
  1      0.0342000              1.0000000        
P   1
  1     13.7600000              1.0000000        
P   1
  1      1.7120000              1.0000000        
P   1
  1      0.5587000              1.0000000        
P   1
  1      0.0590000              1.0000000        
P   1
  1      0.0180000              1.0000000        
D   3
  1     25.7000000              0.0331033        
  2      6.5300000              0.1795753        
  3      2.0780000              0.4373062        
D   1
  1      0.6243000              1.0000000        
D   1
  1      0.1542000              1.0000000        


name: LANL2TZ
description: N/A
elt: Cr
data:
CHROMIUM
S   1
  1      5.3610000              1.0000000        
S   1
  1      1.4490000              1.0000000        
S   1
  1      0.5496000              1.0000000        
S   1
  1      0.1052000              1.0000000        
S   1
  1      0.0364000              1.0000000        
P   1
  1     16.4200000              1.0000000        
P   1
  1      1.9140000              1.0000000        
P   1
  1      0.6241000              1.0000000        
P   1
  1      0.0630000              1.0000000        
P   1
  1      0.0190000              1.0000000        
D   3
  1     28.9500000              0.0337787        
  2      7.7080000              0.1780345        
  3      2.4950000              0.4370008        
D   1
  1      0.7655000              1.0000000        
D   1
  1      0.1889000              1.0000000        


name: LANL2TZ
description: N/A
elt: Mn
data:
MANGANESE
S   1
  1      5.9140000              1.0000000        
S   1
  1      1.6050000              1.0000000        
S   1
  1      0.6260000              1.0000000        
S   1
  1      0.1115000              1.0000000        
S   1
  1      0.0380000              1.0000000        
P   1
  1     18.2000000              1.0000000        
P   1
  1      2.1410000              1.0000000        
P   1
  1      0.7009000              1.0000000        
P   1
  1      0.0690000              1.0000000        
P   1
  1      0.0210000              1.0000000        
D   3
  1     32.2700000              0.0341580        
  2      8.8750000              0.1761105        
  3      2.8900000              0.4394298        
D   1
  1      0.8761000              1.0000000        
D   1
  1      0.2120000              1.0000000        


name: LANL2TZ
description: N/A
elt: Fe
data:
IRON
S   1
  1      6.4220000              1.0000000        
S   1
  1      1.8260000              1.0000000        
S   1
  1      0.7135000              1.0000000        
S   1
  1      0.1021000              1.0000000        
S   1
  1      0.0363000              1.0000000        
P   1
  1     19.4800000              1.0000000        
P   1
  1      2.3890000              1.0000000        
P   1
  1      0.7795000              1.0000000        
P   1
  1      0.0740000              1.0000000        
P   1
  1      0.0220000              1.0000000        
D   3
  1     37.0800000              0.0329000        
  2     10.1000000              0.1787418        
  3      3.2200000              0.4487657        
D   1
  1      0.9628000              1.0000000        
D   1
  1      0.2262000              1.0000000        


name: LANL2TZ
description: N/A
elt: Co
data:
COBALT
S   1
  1      7.1760000              1.0000000        
S   1
  1      2.0090000              1.0000000        
S   1
  1      0.8055000              1.0000000        
S   1
  1      0.1070000              1.0000000        
S   1
  1      0.0375000              1.0000000        
P   1
  1     21.3900000              1.0000000        
P   1
  1      2.6500000              1.0000000        
P   1
  1      0.8619000              1.0000000        
P   1
  1      0.0800000              1.0000000        
P   1
  1      0.0230000              1.0000000        
D   3
  1     39.2500000              0.0361541        
  2     10.7800000              0.1896744        
  3      3.4960000              0.4524981        
D   1
  1      1.0660000              1.0000000        
D   1
  1      0.2606000              1.0000000        


name: LANL2TZ
description: N/A
elt: Ni
data:
NICKEL
S   1
  1      7.6200000              1.0000000        
S   1
  1      2.2940000              1.0000000        
S   1
  1      0.8760000              1.0000000        
S   1
  1      0.1153000              1.0000000        
S   1
  1      0.0396000              1.0000000        
P   1
  1     23.6600000              1.0000000        
P   1
  1      2.8930000              1.0000000        
P   1
  1      0.9435000              1.0000000        
P   1
  1      0.0840000              1.0000000        
P   1
  1      0.0240000              1.0000000        
D   3
  1     42.7200000              0.0372699        
  2     11.7600000              0.1956103        
  3      3.8170000              0.4561273        
D   1
  1      1.1690000              1.0000000        
D   1
  1      0.2836000              1.0000000        


name: LANL2TZ
description: N/A
elt: Cu
data:
COPPER
S   1
  1      8.1760000              1.0000000        
S   1
  1      2.5680000              1.0000000        
S   1
  1      0.9587000              1.0000000        
S   1
  1      0.1153000              1.0000000        
S   1
  1      0.0396000              1.0000000        
P   1
  1     25.6300000              1.0000000        
P   1
  1      3.1660000              1.0000000        
P   1
  1      1.0230000              1.0000000        
P   1
  1      0.0860000              1.0000000        
P   1
  1      0.0240000              1.0000000        
D   3
  1     41.3400000              0.0465424        
  2     11.4200000              0.2227824        
  3      3.8390000              0.4539059        
D   1
  1      1.2300000              1.0000000        
D   1
  1      0.3102000              1.0000000        


name: LANL2TZ
description: N/A
elt: Zn
data:
ZINC
S   1
  1      0.7997000              1.0000000        
S   1
  1      0.1752000              1.0000000        
S   1
  1      0.0556000              1.0000000        
P   1
  1      0.1202000              1.0000000        
P   1
  1      0.0351000              1.0000000        
D   3
  1     68.8500000              0.0258532        
  2     18.3200000              0.1651195        
  3      5.9220000              0.4468212        
D   1
  1      1.9270000              1.0000000        
D   1
  1      0.5528000              1.0000000        


name: LANL2TZ
description: N/A
elt: Y
data:
YTTRIUM
S   1
  1      1.7510000              1.0000000        
S   1
  1      1.1430000              1.0000000        
S   1
  1      0.3581000              1.0000000        
S   1
  1      0.1058000              1.0000000        
S   1
  1      0.0318000              1.0000000        
P   1
  1      3.8840000              1.0000000        
P   1
  1      0.7660000              1.0000000        
P   1
  1      0.2890000              1.0000000        
P   1
  1      0.0629000              1.0000000        
P   1
  1      0.0223000              1.0000000        
D   2
  1      1.5230000              0.1074843        
  2      0.5634000              0.4563954        
D   1
  1      0.1834000              1.0000000        
D   1
  1      0.0569000              1.0000000        


name: LANL2TZ
description: N/A
elt: Zr
data:
ZIRCONIUM
S   1
  1      1.9760000              1.0000000        
S   1
  1      1.1540000              1.0000000        
S   1
  1      0.3910000              1.0000000        
S   1
  1      0.1001000              1.0000000        
S   1
  1      0.0334000              1.0000000        
P   1
  1      4.1920000              1.0000000        
P   1
  1      0.8764000              1.0000000        
P   1
  1      0.2972000              1.0000000        
P   1
  1      0.0724000              1.0000000        
P   1
  1      0.0243000              1.0000000        
D   2
  1      2.2690000              0.0599741        
  2      0.7855000              0.4734158        
D   1
  1      0.2615000              1.0000000        
D   1
  1      0.0802000              1.0000000        


name: LANL2TZ
description: N/A
elt: Nb
data:
NIOBIUM
S   1
  1      2.1820000              1.0000000        
S   1
  1      1.2090000              1.0000000        
S   1
  1      0.4165000              1.0000000        
S   1
  1      0.1454000              1.0000000        
S   1
  1      0.0392000              1.0000000        
P   1
  1      4.5190000              1.0000000        
P   1
  1      0.9406000              1.0000000        
P   1
  1      0.3492000              1.0000000        
P   1
  1      0.0752000              1.0000000        
P   1
  1      0.0247000              1.0000000        
D   2
  1      3.4660000              0.0315983        
  2      0.9938000              0.4834306        
D   1
  1      0.3350000              1.0000000        
D   1
  1      0.1024000              1.0000000        


name: LANL2TZ
description: N/A
elt: Mo
data:
MOLYBDENUM
S   1
  1      2.3610000              1.0000000        
S   1
  1      1.3090000              1.0000000        
S   1
  1      0.4500000              1.0000000        
S   1
  1      0.1681000              1.0000000        
S   1
  1      0.0423000              1.0000000        
P   1
  1      4.8950000              1.0000000        
P   1
  1      1.0440000              1.0000000        
P   1
  1      0.3877000              1.0000000        
P   1
  1      0.0780000              1.0000000        
P   1
  1      0.0247000              1.0000000        
D   2
  1      2.9930000              0.0527063        
  2      1.0630000              0.5003907        
D   1
  1      0.3721000              1.0000000        
D   1
  1      0.1178000              1.0000000        


name: LANL2TZ
description: N/A
elt: Tc
data:
TECHNETIUM
S   1
  1      2.3420000              1.0000000        
S   1
  1      1.6340000              1.0000000        
S   1
  1      0.5094000              1.0000000        
S   1
  1      0.1706000              1.0000000        
S   1
  1      0.0435000              1.0000000        
P   1
  1      5.2780000              1.0000000        
P   1
  1      1.1560000              1.0000000        
P   1
  1      0.4302000              1.0000000        
P   1
  1      0.0895000              1.0000000        
P   1
  1      0.0246000              1.0000000        
D   2
  1      4.6320000              0.0268724        
  2      1.2790000              0.5073089        
D   1
  1      0.4425000              1.0000000        
D   1
  1      0.1364000              1.0000000        


name: LANL2TZ
description: N/A
elt: Ru
data:
RUTHENIUM
S   1
  1      2.5650000              1.0000000        
S   1
  1      1.5080000              1.0000000        
S   1
  1      0.5129000              1.0000000        
S   1
  1      0.1362000              1.0000000        
S   1
  1      0.0417000              1.0000000        
P   1
  1      4.8590000              1.0000000        
P   1
  1      1.2190000              1.0000000        
P   1
  1      0.4413000              1.0000000        
P   1
  1      0.0830000              1.0000000        
P   1
  1      0.0250000              1.0000000        
D   2
  1      4.1950000              0.0485729        
  2      1.3770000              0.5105223        
D   1
  1      0.4828000              1.0000000        
D   1
  1      0.1501000              1.0000000        


name: LANL2TZ
description: N/A
elt: Rh
data:
RHODIUM
S   1
  1      2.6460000              1.0000000        
S   1
  1      1.7510000              1.0000000        
S   1
  1      0.5713000              1.0000000        
S   1
  1      0.1438000              1.0000000        
S   1
  1      0.0428000              1.0000000        
P   1
  1      5.4400000              1.0000000        
P   1
  1      1.3290000              1.0000000        
P   1
  1      0.4845000              1.0000000        
P   1
  1      0.0869000              1.0000000        
P   1
  1      0.0257000              1.0000000        
D   2
  1      3.6690000              0.0760059        
  2      1.4230000              0.5158852        
D   1
  1      0.5091000              1.0000000        
D   1
  1      0.1610000              1.0000000        


name: LANL2TZ
description: N/A
elt: Pd
data:
PALLADIUM
S   1
  1      2.7870000              1.0000000        
S   1
  1      1.9650000              1.0000000        
S   1
  1      0.6243000              1.0000000        
S   1
  1      0.1496000              1.0000000        
S   1
  1      0.0436000              1.0000000        
P   1
  1      5.9990000              1.0000000        
P   1
  1      1.4430000              1.0000000        
P   1
  1      0.5264000              1.0000000        
P   1
  1      0.0899000              1.0000000        
P   1
  1      0.0262000              1.0000000        
D   2
  1      6.0910000              0.0376146        
  2      1.7190000              0.5200479        
D   1
  1      0.6056000              1.0000000        
D   1
  1      0.1883000              1.0000000        


name: LANL2TZ
description: N/A
elt: Ag
data:
SILVER
S   1
  1      2.9500000              1.0000000        
S   1
  1      2.1490000              1.0000000        
S   1
  1      0.6684000              1.0000000        
S   1
  1      0.0997000              1.0000000        
S   1
  1      0.0347000              1.0000000        
P   1
  1      6.5530000              1.0000000        
P   1
  1      1.5650000              1.0000000        
P   1
  1      0.5748000              1.0000000        
P   1
  1      0.0833000              1.0000000        
P   1
  1      0.0252000              1.0000000        
D   2
  1      3.3910000              0.1396938        
  2      1.5990000              0.4744421        
D   1
  1      0.6282000              1.0000000        
D   1
  1      0.2108000              1.0000000        


name: LANL2TZ
description: N/A
elt: Cd
data:
CADMIUM
S   1
  1      0.5095000              1.0000000        
S   1
  1      0.1924000              1.0000000        
S   1
  1      0.0544000              1.0000000        
P   1
  1      0.8270000              1.0000000        
P   1
  1      0.1287000              1.0000000        
P   1
  1      0.0405000              1.0000000        
D   2
  1      5.1480000              0.0703071        
  2      1.9660000              0.5138427        
D   1
  1      0.7360000              1.0000000        
D   1
  1      0.2479000              1.0000000        


name: LANL2TZ
description: N/A
elt: Hg
data:
MERCURY
S   1
  1      0.5275000              1.0000000        
S   1
  1      0.2334000              1.0000000        
S   1
  1      0.0686100              1.0000000        
P   1
  1      0.6503000              1.0000000        
P   1
  1      0.1368000              1.0000000        
P   1
  1      0.0425600              1.0000000        
D   1
  1      1.4840000              1.0000000        
D   1
  1      0.5605000              1.0000000        
D   1
  1      0.1923000              1.0000000        


name: LANL2TZ(f)
description: TZ triple zeta basis set designed for an ECP + f polarization
elt: Sc
data:
SCANDIUM
S   1
  1      3.7170000              1.0000000        
S   1
  1      1.0970000              1.0000000        
S   1
  1      0.4164000              1.0000000        
S   1
  1      0.0761000              1.0000000        
S   1
  1      0.0284000              1.0000000        
P   1
  1     10.4000000              1.0000000        
P   1
  1      1.3110000              1.0000000        
P   1
  1      0.4266000              1.0000000        
P   1
  1      0.0470000              1.0000000        
P   1
  1      0.0140000              1.0000000        
D   3
  1     15.1300000              0.0379291        
  2      4.2050000              0.1738360        
  3      1.3030000              0.4268057        
D   1
  1      0.3680000              1.0000000        
D   1
  1      0.0812000              1.0000000        
F   1
  1      1.3350000              1.0000000        


name: LANL2TZ(f)
description: TZ triple zeta basis set designed for an ECP + f polarization
elt: Ti
data:
TITANIUM
S   1
  1      4.3720000              1.0000000        
S   1
  1      1.0980000              1.0000000        
S   1
  1      0.4178000              1.0000000        
S   1
  1      0.0872000              1.0000000        
S   1
  1      0.0314000              1.0000000        
P   1
  1     12.5200000              1.0000000        
P   1
  1      1.4910000              1.0000000        
P   1
  1      0.4859000              1.0000000        
P   1
  1      0.0530000              1.0000000        
P   1
  1      0.0160000              1.0000000        
D   3
  1     20.2100000              0.0341682        
  2      5.4950000              0.1710005        
  3      1.6990000              0.4405849        
D   1
  1      0.4840000              1.0000000        
D   1
  1      0.1157000              1.0000000        
F   1
  1      1.5060000              1.0000000        


name: LANL2TZ(f)
description: TZ triple zeta basis set designed for an ECP + f polarization
elt: V
data:
VANADIUM
S   1
  1      4.5900000              1.0000000        
S   1
  1      1.4930000              1.0000000        
S   1
  1      0.5570000              1.0000000        
S   1
  1      0.0975000              1.0000000        
S   1
  1      0.0342000              1.0000000        
P   1
  1     13.7600000              1.0000000        
P   1
  1      1.7120000              1.0000000        
P   1
  1      0.5587000              1.0000000        
P   1
  1      0.0590000              1.0000000        
P   1
  1      0.0180000              1.0000000        
D   3
  1     25.7000000              0.0331033        
  2      6.5300000              0.1795753        
  3      2.0780000              0.4373062        
D   1
  1      0.6243000              1.0000000        
D   1
  1      0.1542000              1.0000000        
F   1
  1      1.7510000              1.0000000        


name: LANL2TZ(f)
description: TZ triple zeta basis set designed for an ECP + f polarization
elt: Cr
data:
CHROMIUM
S   1
  1      5.3610000              1.0000000        
S   1
  1      1.4490000              1.0000000        
S   1
  1      0.5496000              1.0000000        
S   1
  1      0.1052000              1.0000000        
S   1
  1      0.0364000              1.0000000        
P   1
  1     16.4200000              1.0000000        
P   1
  1      1.9140000              1.0000000        
P   1
  1      0.6241000              1.0000000        
P   1
  1      0.0630000              1.0000000        
P   1
  1      0.0190000              1.0000000        
D   3
  1     28.9500000              0.0337787        
  2      7.7080000              0.1780345        
  3      2.4950000              0.4370008        
D   1
  1      0.7655000              1.0000000        
D   1
  1      0.1889000              1.0000000        
F   1
  1      1.9410000              1.0000000        


name: LANL2TZ(f)
description: TZ triple zeta basis set designed for an ECP + f polarization
elt: Mn
data:
MANGANESE
S   1
  1      5.9140000              1.0000000        
S   1
  1      1.6050000              1.0000000        
S   1
  1      0.6260000              1.0000000        
S   1
  1      0.1115000              1.0000000        
S   1
  1      0.0380000              1.0000000        
P   1
  1     18.2000000              1.0000000        
P   1
  1      2.1410000              1.0000000        
P   1
  1      0.7009000              1.0000000        
P   1
  1      0.0690000              1.0000000        
P   1
  1      0.0210000              1.0000000        
D   3
  1     32.2700000              0.0341580        
  2      8.8750000              0.1761105        
  3      2.8900000              0.4394298        
D   1
  1      0.8761000              1.0000000        
D   1
  1      0.2120000              1.0000000        
F   1
  1      2.1950000              1.0000000        


name: LANL2TZ(f)
description: TZ triple zeta basis set designed for an ECP + f polarization
elt: Fe
data:
IRON
S   1
  1      6.4220000              1.0000000        
S   1
  1      1.8260000              1.0000000        
S   1
  1      0.7135000              1.0000000        
S   1
  1      0.1021000              1.0000000        
S   1
  1      0.0363000              1.0000000        
P   1
  1     19.4800000              1.0000000        
P   1
  1      2.3890000              1.0000000        
P   1
  1      0.7795000              1.0000000        
P   1
  1      0.0740000              1.0000000        
P   1
  1      0.0220000              1.0000000        
D   3
  1     37.0800000              0.0329000        
  2     10.1000000              0.1787418        
  3      3.2200000              0.4487657        
D   1
  1      0.9628000              1.0000000        
D   1
  1      0.2262000              1.0000000        
F   1
  1      2.4620000              1.0000000        


name: LANL2TZ(f)
description: TZ triple zeta basis set designed for an ECP + f polarization
elt: Co
data:
COBALT
S   1
  1      7.1760000              1.0000000        
S   1
  1      2.0090000              1.0000000        
S   1
  1      0.8055000              1.0000000        
S   1
  1      0.1070000              1.0000000        
S   1
  1      0.0375000              1.0000000        
P   1
  1     21.3900000              1.0000000        
P   1
  1      2.6500000              1.0000000        
P   1
  1      0.8619000              1.0000000        
P   1
  1      0.0800000              1.0000000        
P   1
  1      0.0230000              1.0000000        
D   3
  1     39.2500000              0.0361541        
  2     10.7800000              0.1896744        
  3      3.4960000              0.4524981        
D   1
  1      1.0660000              1.0000000        
D   1
  1      0.2606000              1.0000000        
F   1
  1      2.7800000              1.0000000        


name: LANL2TZ(f)
description: TZ triple zeta basis set designed for an ECP + f polarization
elt: Ni
data:
NICKEL
S   1
  1      7.6200000              1.0000000        
S   1
  1      2.2940000              1.0000000        
S   1
  1      0.8760000              1.0000000        
S   1
  1      0.1153000              1.0000000        
S   1
  1      0.0396000              1.0000000        
P   1
  1     23.6600000              1.0000000        
P   1
  1      2.8930000              1.0000000        
P   1
  1      0.9435000              1.0000000        
P   1
  1      0.0840000              1.0000000        
P   1
  1      0.0240000              1.0000000        
D   3
  1     42.7200000              0.0372699        
  2     11.7600000              0.1956103        
  3      3.8170000              0.4561273        
D   1
  1      1.1690000              1.0000000        
D   1
  1      0.2836000              1.0000000        
F   1
  1      3.1300000              1.0000000        


name: LANL2TZ(f)
description: TZ triple zeta basis set designed for an ECP + f polarization
elt: Cu
data:
COPPER
S   1
  1      8.1760000              1.0000000        
S   1
  1      2.5680000              1.0000000        
S   1
  1      0.9587000              1.0000000        
S   1
  1      0.1153000              1.0000000        
S   1
  1      0.0396000              1.0000000        
P   1
  1     25.6300000              1.0000000        
P   1
  1      3.1660000              1.0000000        
P   1
  1      1.0230000              1.0000000        
P   1
  1      0.0860000              1.0000000        
P   1
  1      0.0240000              1.0000000        
D   3
  1     41.3400000              0.0465424        
  2     11.4200000              0.2227824        
  3      3.8390000              0.4539059        
D   1
  1      1.2300000              1.0000000        
D   1
  1      0.3102000              1.0000000        
F   1
  1      3.5250000              1.0000000        


name: LANL2TZ(f)
description: TZ triple zeta basis set designed for an ECP + f polarization
elt: Y
data:
YTTRIUM
S   1
  1      1.7510000              1.0000000        
S   1
  1      1.1430000              1.0000000        
S   1
  1      0.3581000              1.0000000        
S   1
  1      0.1058000              1.0000000        
S   1
  1      0.0318000              1.0000000        
P   1
  1      3.8840000              1.0000000        
P   1
  1      0.7660000              1.0000000        
P   1
  1      0.2890000              1.0000000        
P   1
  1      0.0629000              1.0000000        
P   1
  1      0.0223000              1.0000000        
D   2
  1      1.5230000              0.1074843        
  2      0.5634000              0.4563954        
D   1
  1      0.1834000              1.0000000        
D   1
  1      0.0569000              1.0000000        
F   1
  1      0.8350000              1.0000000        


name: LANL2TZ(f)
description: TZ triple zeta basis set designed for an ECP + f polarization
elt: Zr
data:
ZIRCONIUM
S   1
  1      1.9760000              1.0000000        
S   1
  1      1.1540000              1.0000000        
S   1
  1      0.3910000              1.0000000        
S   1
  1      0.1001000              1.0000000        
S   1
  1      0.0334000              1.0000000        
P   1
  1      4.1920000              1.0000000        
P   1
  1      0.8764000              1.0000000        
P   1
  1      0.2972000              1.0000000        
P   1
  1      0.0724000              1.0000000        
P   1
  1      0.0243000              1.0000000        
D   2
  1      2.2690000              0.0599741        
  2      0.7855000              0.4734158        
D   1
  1      0.2615000              1.0000000        
D   1
  1      0.0802000              1.0000000        
F   1
  1      0.8750000              1.0000000        


name: LANL2TZ(f)
description: TZ triple zeta basis set designed for an ECP + f polarization
elt: Nb
data:
NIOBIUM
S   1
  1      2.1820000              1.0000000        
S   1
  1      1.2090000              1.0000000        
S   1
  1      0.4165000              1.0000000        
S   1
  1      0.1454000              1.0000000        
S   1
  1      0.0392000              1.0000000        
P   1
  1      4.5190000              1.0000000        
P   1
  1      0.9406000              1.0000000        
P   1
  1      0.3492000              1.0000000        
P   1
  1      0.0752000              1.0000000        
P   1
  1      0.0247000              1.0000000        
D   2
  1      3.4660000              0.0315983        
  2      0.9938000              0.4834306        
D   1
  1      0.3350000              1.0000000        
D   1
  1      0.1024000              1.0000000        
F   1
  1      0.9520000              1.0000000        


name: LANL2TZ(f)
description: TZ triple zeta basis set designed for an ECP + f polarization
elt: Mo
data:
MOLYBDENUM
S   1
  1      2.3610000              1.0000000        
S   1
  1      1.3090000              1.0000000        
S   1
  1      0.4500000              1.0000000        
S   1
  1      0.1681000              1.0000000        
S   1
  1      0.0423000              1.0000000        
P   1
  1      4.8950000              1.0000000        
P   1
  1      1.0440000              1.0000000        
P   1
  1      0.3877000              1.0000000        
P   1
  1      0.0780000              1.0000000        
P   1
  1      0.0247000              1.0000000        
D   2
  1      2.9930000              0.0527063        
  2      1.0630000              0.5003907        
D   1
  1      0.3721000              1.0000000        
D   1
  1      0.1178000              1.0000000        
F   1
  1      1.0430000              1.0000000        


name: LANL2TZ(f)
description: TZ triple zeta basis set designed for an ECP + f polarization
elt: Tc
data:
TECHNETIUM
S   1
  1      2.3420000              1.0000000        
S   1
  1      1.6340000              1.0000000        
S   1
  1      0.5094000              1.0000000        
S   1
  1      0.1706000              1.0000000        
S   1
  1      0.0435000              1.0000000        
P   1
  1      5.2780000              1.0000000        
P   1
  1      1.1560000              1.0000000        
P   1
  1      0.4302000              1.0000000        
P   1
  1      0.0895000              1.0000000        
P   1
  1      0.0246000              1.0000000        
D   2
  1      4.6320000              0.0268724        
  2      1.2790000              0.5073089        
D   1
  1      0.4425000              1.0000000        
D   1
  1      0.1364000              1.0000000        
F   1
  1      1.1340000              1.0000000        


name: LANL2TZ(f)
description: TZ triple zeta basis set designed for an ECP + f polarization
elt: Ru
data:
RUTHENIUM
S   1
  1      2.5650000              1.0000000        
S   1
  1      1.5080000              1.0000000        
S   1
  1      0.5129000              1.0000000        
S   1
  1      0.1362000              1.0000000        
S   1
  1      0.0417000              1.0000000        
P   1
  1      4.8590000              1.0000000        
P   1
  1      1.2190000              1.0000000        
P   1
  1      0.4413000              1.0000000        
P   1
  1      0.0830000              1.0000000        
P   1
  1      0.0250000              1.0000000        
D   2
  1      4.1950000              0.0485729        
  2      1.3770000              0.5105223        
D   1
  1      0.4828000              1.0000000        
D   1
  1      0.1501000              1.0000000        
F   1
  1      1.2350000              1.0000000        


name: LANL2TZ(f)
description: TZ triple zeta basis set designed for an ECP + f polarization
elt: Rh
data:
RHODIUM
S   1
  1      2.6460000              1.0000000        
S   1
  1      1.7510000              1.0000000        
S   1
  1      0.5713000              1.0000000        
S   1
  1      0.1438000              1.0000000        
S   1
  1      0.0428000              1.0000000        
P   1
  1      5.4400000              1.0000000        
P   1
  1      1.3290000              1.0000000        
P   1
  1      0.4845000              1.0000000        
P   1
  1      0.0869000              1.0000000        
P   1
  1      0.0257000              1.0000000        
D   2
  1      3.6690000              0.0760059        
  2      1.4230000              0.5158852        
D   1
  1      0.5091000              1.0000000        
D   1
  1      0.1610000              1.0000000        
F   1
  1      1.3500000              1.0000000        


name: LANL2TZ(f)
description: TZ triple zeta basis set designed for an ECP + f polarization
elt: Pd
data:
PALLADIUM
S   1
  1      2.7870000              1.0000000        
S   1
  1      1.9650000              1.0000000        
S   1
  1      0.6243000              1.0000000        
S   1
  1      0.1496000              1.0000000        
S   1
  1      0.0436000              1.0000000        
P   1
  1      5.9990000              1.0000000        
P   1
  1      1.4430000              1.0000000        
P   1
  1      0.5264000              1.0000000        
P   1
  1      0.0899000              1.0000000        
P   1
  1      0.0262000              1.0000000        
D   2
  1      6.0910000              0.0376146        
  2      1.7190000              0.5200479        
D   1
  1      0.6056000              1.0000000        
D   1
  1      0.1883000              1.0000000        
F   1
  1      1.4720000              1.0000000        


name: LANL2TZ(f)
description: TZ triple zeta basis set designed for an ECP + f polarization
elt: Ag
data:
SILVER
S   1
  1      2.9500000              1.0000000        
S   1
  1      2.1490000              1.0000000        
S   1
  1      0.6684000              1.0000000        
S   1
  1      0.0997000              1.0000000        
S   1
  1      0.0347000              1.0000000        
P   1
  1      6.5530000              1.0000000        
P   1
  1      1.5650000              1.0000000        
P   1
  1      0.5748000              1.0000000        
P   1
  1      0.0833000              1.0000000        
P   1
  1      0.0252000              1.0000000        
D   2
  1      3.3910000              0.1396938        
  2      1.5990000              0.4744421        
D   1
  1      0.6282000              1.0000000        
D   1
  1      0.2108000              1.0000000        
F   1
  1      1.6110000              1.0000000        


name: LANL2TZ+
description: TZ triple zeta basis set designed for an ECP + diffuse d function
elt: Sc
data:
SCANDIUM
S   1
  1      3.7170000              1.0000000        
S   1
  1      1.0970000              1.0000000        
S   1
  1      0.4164000              1.0000000        
S   1
  1      0.0761000              1.0000000        
S   1
  1      0.0284000              1.0000000        
P   1
  1     10.4000000              1.0000000        
P   1
  1      1.3110000              1.0000000        
P   1
  1      0.4266000              1.0000000        
P   1
  1      0.0470000              1.0000000        
P   1
  1      0.0140000              1.0000000        
D   3
  1     15.1300000              0.0379291        
  2      4.2050000              0.1738360        
  3      1.3030000              0.4268057        
D   1
  1      0.3680000              1.0000000        
D   1
  1      0.0812000              1.0000000        
D   1
  1      0.0250000              1.0000000        


name: LANL2TZ+
description: TZ triple zeta basis set designed for an ECP + diffuse d function
elt: Ti
data:
TITANIUM
S   1
  1      4.3720000              1.0000000        
S   1
  1      1.0980000              1.0000000        
S   1
  1      0.4178000              1.0000000        
S   1
  1      0.0872000              1.0000000        
S   1
  1      0.0314000              1.0000000        
P   1
  1     12.5200000              1.0000000        
P   1
  1      1.4910000              1.0000000        
P   1
  1      0.4859000              1.0000000        
P   1
  1      0.0530000              1.0000000        
P   1
  1      0.0160000              1.0000000        
D   3
  1     20.2100000              0.0341682        
  2      5.4950000              0.1710005        
  3      1.6990000              0.4405849        
D   1
  1      0.4840000              1.0000000        
D   1
  1      0.1157000              1.0000000        
D   1
  1      0.0349000              1.0000000        


name: LANL2TZ+
description: TZ triple zeta basis set designed for an ECP + diffuse d function
elt: V
data:
VANADIUM
S   1
  1      4.5900000              1.0000000        
S   1
  1      1.4930000              1.0000000        
S   1
  1      0.5570000              1.0000000        
S   1
  1      0.0975000              1.0000000        
S   1
  1      0.0342000              1.0000000        
P   1
  1     13.7600000              1.0000000        
P   1
  1      1.7120000              1.0000000        
P   1
  1      0.5587000              1.0000000        
P   1
  1      0.0590000              1.0000000        
P   1
  1      0.0180000              1.0000000        
D   3
  1     25.7000000              0.0331033        
  2      6.5300000              0.1795753        
  3      2.0780000              0.4373062        
D   1
  1      0.6243000              1.0000000        
D   1
  1      0.1542000              1.0000000        
D   1
  1      0.0464000              1.0000000        


name: LANL2TZ+
description: TZ triple zeta basis set designed for an ECP + diffuse d function
elt: Cr
data:
CHROMIUM
S   1
  1      5.3610000              1.0000000        
S   1
  1      1.4490000              1.0000000        
S   1
  1      0.5496000              1.0000000        
S   1
  1      0.1052000              1.0000000        
S   1
  1      0.0364000              1.0000000        
P   1
  1     16.4200000              1.0000000        
P   1
  1      1.9140000              1.0000000        
P   1
  1      0.6241000              1.0000000        
P   1
  1      0.0630000              1.0000000        
P   1
  1      0.0190000              1.0000000        
D   3
  1     28.9500000              0.0337787        
  2      7.7080000              0.1780345        
  3      2.4950000              0.4370008        
D   1
  1      0.7655000              1.0000000        
D   1
  1      0.1889000              1.0000000        
D   1
  1      0.0587000              1.0000000        


name: LANL2TZ+
description: TZ triple zeta basis set designed for an ECP + diffuse d function
elt: Mn
data:
MANGANESE
S   1
  1      5.9140000              1.0000000        
S   1
  1      1.6050000              1.0000000        
S   1
  1      0.6260000              1.0000000        
S   1
  1      0.1115000              1.0000000        
S   1
  1      0.0380000              1.0000000        
P   1
  1     18.2000000              1.0000000        
P   1
  1      2.1410000              1.0000000        
P   1
  1      0.7009000              1.0000000        
P   1
  1      0.0690000              1.0000000        
P   1
  1      0.0210000              1.0000000        
D   3
  1     32.2700000              0.0341580        
  2      8.8750000              0.1761105        
  3      2.8900000              0.4394298        
D   1
  1      0.8761000              1.0000000        
D   1
  1      0.2120000              1.0000000        
D   1
  1      0.0670000              1.0000000        


name: LANL2TZ+
description: TZ triple zeta basis set designed for an ECP + diffuse d function
elt: Fe
data:
IRON
S   1
  1      6.4220000              1.0000000        
S   1
  1      1.8260000              1.0000000        
S   1
  1      0.7135000              1.0000000        
S   1
  1      0.1021000              1.0000000        
S   1
  1      0.0363000              1.0000000        
P   1
  1     19.4800000              1.0000000        
P   1
  1      2.3890000              1.0000000        
P   1
  1      0.7795000              1.0000000        
P   1
  1      0.0740000              1.0000000        
P   1
  1      0.0220000              1.0000000        
D   3
  1     37.0800000              0.0329000        
  2     10.1000000              0.1787418        
  3      3.2200000              0.4487657        
D   1
  1      0.9628000              1.0000000        
D   1
  1      0.2262000              1.0000000        
D   1
  1      0.0706000              1.0000000        


name: LANL2TZ+
description: TZ triple zeta basis set designed for an ECP + diffuse d function
elt: Co
data:
COBALT
S   1
  1      7.1760000              1.0000000        
S   1
  1      2.0090000              1.0000000        
S   1
  1      0.8055000              1.0000000        
S   1
  1      0.1070000              1.0000000        
S   1
  1      0.0375000              1.0000000        
P   1
  1     21.3900000              1.0000000        
P   1
  1      2.6500000              1.0000000        
P   1
  1      0.8619000              1.0000000        
P   1
  1      0.0800000              1.0000000        
P   1
  1      0.0230000              1.0000000        
D   3
  1     39.2500000              0.0361541        
  2     10.7800000              0.1896744        
  3      3.4960000              0.4524981        
D   1
  1      1.0660000              1.0000000        
D   1
  1      0.2606000              1.0000000        
D   1
  1      0.0822000              1.0000000        


name: LANL2TZ+
description: TZ triple zeta basis set designed for an ECP + diffuse d function
elt: Ni
data:
NICKEL
S   1
  1      7.6200000              1.0000000        
S   1
  1      2.2940000              1.0000000        
S   1
  1      0.8760000              1.0000000        
S   1
  1      0.1153000              1.0000000        
S   1
  1      0.0396000              1.0000000        
P   1
  1     23.6600000              1.0000000        
P   1
  1      2.8930000              1.0000000        
P   1
  1      0.9435000              1.0000000        
P   1
  1      0.0840000              1.0000000        
P   1
  1      0.0240000              1.0000000        
D   3
  1     42.7200000              0.0372699        
  2     11.7600000              0.1956103        
  3      3.8170000              0.4561273        
D   1
  1      1.1690000              1.0000000        
D   1
  1      0.2836000              1.0000000        
D   1
  1      0.0898000              1.0000000        


name: LANL2TZ+
description: TZ triple zeta basis set designed for an ECP + diffuse d function
elt: Cu
data:
COPPER
S   1
  1      8.1760000              1.0000000        
S   1
  1      2.5680000              1.0000000        
S   1
  1      0.9587000              1.0000000        
S   1
  1      0.1153000              1.0000000        
S   1
  1      0.0396000              1.0000000        
P   1
  1     25.6300000              1.0000000        
P   1
  1      3.1660000              1.0000000        
P   1
  1      1.0230000              1.0000000        
P   1
  1      0.0860000              1.0000000        
P   1
  1      0.0240000              1.0000000        
D   3
  1     41.3400000              0.0465424        
  2     11.4200000              0.2227824        
  3      3.8390000              0.4539059        
D   1
  1      1.2300000              1.0000000        
D   1
  1      0.3102000              1.0000000        
D   1
  1      0.1010000              1.0000000        


name: LANL2TZ+
description: TZ triple zeta basis set designed for an ECP + diffuse d function
elt: Zn
data:
ZINC
S   1
  1      0.7997000              1.0000000        
S   1
  1      0.1752000              1.0000000        
S   1
  1      0.0556000              1.0000000        
P   1
  1      0.1202000              1.0000000        
P   1
  1      0.0351000              1.0000000        
D   3
  1     68.8500000              0.0258532        
  2     18.3200000              0.1651195        
  3      5.9220000              0.4468212        
D   1
  1      1.9270000              1.0000000        
D   1
  1      0.5528000              1.0000000        
D   1
  1      0.1700000              1.0000000        


name: Lanl2-[10s8p7d3f2g]
description: N/A
elt: Rh
data:
RHODIUM
S   16
  1    327.6800000             -0.0009800        
  2    163.8400000              0.0055500        
  3     81.9200000             -0.0198300        
  4     40.9600000              0.0544400        
  5     20.4800000             -0.1562300        
  6     10.2400000              0.3511800        
  7      5.1200000             -0.6265400        
  8      2.5600000             -0.1291100        
  9      1.2800000              0.8471200        
 10      0.6400000              0.4147500        
 11      0.3200000              0.1326400        
 12      0.1600000             -0.0401200        
 13      0.0800000              0.0286500        
 14      0.0400000             -0.0172900        
 15      0.0200000              0.0076500        
 16      0.0100000             -0.0019700        
S   16
  1    327.6800000              0.0002400        
  2    163.8400000             -0.0013300        
  3     81.9200000              0.0049000        
  4     40.9600000             -0.0136000        
  5     20.4800000              0.0412300        
  6     10.2400000             -0.0965400        
  7      5.1200000              0.2007300        
  8      2.5600000              0.0036100        
  9      1.2800000             -0.3011100        
 10      0.6400000             -0.2436200        
 11      0.3200000             -0.0908900        
 12      0.1600000              0.2190200        
 13      0.0800000              0.4852900        
 14      0.0400000              0.4274800        
 15      0.0200000              0.0730000        
 16      0.0100000              0.0013100        
S   1
  1      6.1035156              1.0000000        
S   1
  1      2.4414063              1.0000000        
S   1
  1      0.9765625              1.0000000        
S   1
  1      0.3906250              1.0000000        
S   1
  1      0.1562500              1.0000000        
S   1
  1      0.0625000              1.0000000        
S   1
  1      0.0250000              1.0000000        
S   1
  1      0.0100000              1.0000000        
P   13
  1    163.8400000              0.0004700        
  2     81.9200000             -0.0032400        
  3     40.9600000              0.0101200        
  4     20.4800000             -0.0449000        
  5     10.2400000              0.0931000        
  6      5.1200000             -0.2412500        
  7      2.5600000              0.2057500        
  8      1.2800000              0.5400800        
  9      0.6400000              0.3505500        
 10      0.3200000              0.1010900        
 11      0.1600000              0.0039400        
 12      0.0800000              0.0035400        
 13      0.0400000             -0.0006700        
P   1
  1      5.0000000              1.0000000        
P   1
  1      2.0000000              1.0000000        
P   1
  1      0.8000000              1.0000000        
P   1
  1      0.3200000              1.0000000        
P   1
  1      0.1280000              1.0000000        
P   1
  1      0.0512000              1.0000000        
P   1
  1      0.0204500              1.0000000        
D   13
  1     37.4813370             -0.0003900        
  2     20.8229650             -0.0032000        
  3     11.5683140              0.0020200        
  4      6.4268410             -0.0045700        
  5      3.5704672              0.0444700        
  6      1.9835929              0.2169900        
  7      1.1019961              0.2789200        
  8      0.6122200              0.2864500        
  9      0.3401222              0.2112500        
 10      0.1889568              0.1385000        
 11      0.1049760              0.0551200        
 12      0.0583200              0.0153100        
 13      0.0324000              0.0003700        
D   1
  1      2.7648000              1.0000000        
D   1
  1      1.1520000              1.0000000        
D   1
  1      0.4800000              1.0000000        
D   1
  1      0.2000000              1.0000000        
D   1
  1      0.0833333              1.0000000        
D   1
  1      0.0347222              1.0000000        
F   1
  1      1.2150000              1.0000000        
F   1
  1      0.2700000              1.0000000        
F   1
  1      0.0600000              1.0000000        
G   1
  1      0.5000000              1.0000000        
G   1
  1      0.0800000              1.0000000        


name: Lanl2-[5s4p4d2f]
description: N/A
elt: Rh
data:
RHODIUM
S   11
  1    327.6800000             -0.0009800        
  2    163.8400000              0.0055500        
  3     81.9200000             -0.0198300        
  4     40.9600000              0.0544400        
  5     20.4800000             -0.1562300        
  6     10.2400000              0.3511800        
  7      5.1200000             -0.6265400        
  8      2.5600000             -0.1291100        
  9      1.2800000              0.8471200        
 10      0.6400000              0.4147500        
 11      0.3200000              0.1326400        
S   12
  1    327.6800000              0.0002400        
  2    163.8400000             -0.0013300        
  3     81.9200000              0.0049000        
  4     40.9600000             -0.0136000        
  5     20.4800000              0.0412300        
  6     10.2400000             -0.0965400        
  7      5.1200000              0.2007300        
  8      2.5600000              0.0036100        
  9      1.2800000             -0.3011100        
 10      0.6400000             -0.2436200        
 11      0.3200000             -0.0908900        
 12      0.1600000              0.2190200        
S   1
  1      0.0793500              1.0000000        
S   1
  1      0.0345000              1.0000000        
S   1
  1      0.0200000              1.0000000        
P   9
  1    163.8400000              0.0004700        
  2     81.9200000             -0.0032400        
  3     40.9600000              0.0101200        
  4     20.4800000             -0.0449000        
  5     10.2400000              0.0931000        
  6      5.1200000             -0.2412500        
  7      2.5600000              0.2057500        
  8      1.2800000              0.5400800        
  9      0.6400000              0.3505500        
P   1
  1      0.2250000              1.0000000        
P   1
  1      0.0750000              1.0000000        
P   1
  1      0.0240000              1.0000000        
D   10
  1     37.4813370             -0.0003900        
  2     20.8229650             -0.0032000        
  3     11.5683140              0.0020200        
  4      6.4268410             -0.0045700        
  5      3.5704672              0.0444700        
  6      1.9835929              0.2169900        
  7      1.1019961              0.2789200        
  8      0.6122200              0.2864500        
  9      0.3401222              0.2112500        
 10      0.1889568              0.1385000        
D   1
  1      0.5400000              1.0000000        
D   1
  1      0.1800000              1.0000000        
D   1
  1      0.0600000              1.0000000        
F   1
  1      0.5000000              1.0000000        
F   1
  1      0.0800000              1.0000000        


name: Lanl2-[6s4p4d2f]
description: N/A
elt: Rh
data:
RHODIUM
S   11
  1    327.6800000             -0.0009800        
  2    163.8400000              0.0055500        
  3     81.9200000             -0.0198300        
  4     40.9600000              0.0544400        
  5     20.4800000             -0.1562300        
  6     10.2400000              0.3511800        
  7      5.1200000             -0.6265400        
  8      2.5600000             -0.1291100        
  9      1.2800000              0.8471200        
 10      0.6400000              0.4147500        
 11      0.3200000              0.1326400        
S   12
  1    327.6800000              0.0002400        
  2    163.8400000             -0.0013300        
  3     81.9200000              0.0049000        
  4     40.9600000             -0.0136000        
  5     20.4800000              0.0412300        
  6     10.2400000             -0.0965400        
  7      5.1200000              0.2007300        
  8      2.5600000              0.0036100        
  9      1.2800000             -0.3011100        
 10      0.6400000             -0.2436200        
 11      0.3200000             -0.0908900        
 12      0.1600000              0.2190200        
S   1
  1      0.0793500              1.0000000        
S   1
  1      0.0345000              1.0000000        
S   1
  1      0.0200000              1.0000000        
S   1
  1      0.0100000              1.0000000        
P   9
  1    163.8400000              0.0004700        
  2     81.9200000             -0.0032400        
  3     40.9600000              0.0101200        
  4     20.4800000             -0.0449000        
  5     10.2400000              0.0931000        
  6      5.1200000             -0.2412500        
  7      2.5600000              0.2057500        
  8      1.2800000              0.5400800        
  9      0.6400000              0.3505500        
P   1
  1      0.2250000              1.0000000        
P   1
  1      0.0750000              1.0000000        
P   1
  1      0.0240000              1.0000000        
D   10
  1     37.4813370             -0.0003900        
  2     20.8229650             -0.0032000        
  3     11.5683140              0.0020200        
  4      6.4268410             -0.0045700        
  5      3.5704672              0.0444700        
  6      1.9835929              0.2169900        
  7      1.1019961              0.2789200        
  8      0.6122200              0.2864500        
  9      0.3401222              0.2112500        
 10      0.1889568              0.1385000        
D   1
  1      0.5400000              1.0000000        
D   1
  1      0.1800000              1.0000000        
D   1
  1      0.0600000              1.0000000        
F   1
  1      0.5000000              1.0000000        
F   1
  1      0.0800000              1.0000000        


name: Lanl2DZ+1d1f
description: Lanl2DZ+1d1f
elt: Rh
data:
RHODIUM
S   3
  1      2.6460000             -1.3554084        
  2      1.7510000              1.6112233        
  3      0.5713000              0.5893814        
S   4
  1      2.6460000              1.1472137        
  2      1.7510000             -1.4943525        
  3      0.5713000             -0.8589704        
  4      0.1438000              1.0297241        
S   1
  1      0.0428000              1.0000000        
P   3
  1      5.4400000             -0.0987699        
  2      1.3290000              0.7433595        
  3      0.4845000              0.3668462        
P   2
  1      0.6595000             -0.0838056        
  2      0.0869000              1.0244841        
P   1
  1      0.0257000              1.0000000        
D   3
  1      3.6690000              0.0760059        
  2      1.4230000              0.5158852        
  3      0.5091000              0.5436585        
D   1
  1      0.1610000              1.0000000        
D   1
  1      0.0800000              1.0000000        
F   1
  1      0.5000000              1.0000000        


name: Lanl2DZ+2s2p2d2f
description: N/A
elt: Rh
data:
RHODIUM
S   3
  1      2.6460000             -1.3554084        
  2      1.7510000              1.6112233        
  3      0.5713000              0.5893814        
S   4
  1      2.6460000              1.1472137        
  2      1.7510000             -1.4943525        
  3      0.5713000             -0.8589704        
  4      0.1438000              1.0297241        
S   1
  1      0.0428000              1.0000000        
S   1
  1      0.0850000              1.0000000        
S   1
  1      0.0150000              1.0000000        
P   3
  1      5.4400000             -0.0987699        
  2      1.3290000              0.7433595        
  3      0.4845000              0.3668462        
P   2
  1      0.6595000             -0.0838056        
  2      0.0869000              1.0244841        
P   1
  1      0.0257000              1.0000000        
P   1
  1      1.0000000              1.0000000        
P   1
  1      0.1200000              1.0000000        
D   3
  1      3.6690000              0.0760059        
  2      1.4230000              0.5158852        
  3      0.5091000              0.5436585        
D   1
  1      1.0000000              1.0000000        
D   1
  1      0.1610000              1.0000000        
D   1
  1      0.0800000              1.0000000        
F   1
  1      0.5000000              1.0000000        
F   1
  1      0.0800000              1.0000000        


name: MG3S
elt: H
description:
MG3S is a triple-zeta polarized basis set with diffuse functions on all heavy atoms.  It is a modification of Pople's 6-311++G** basis set.

data:
HYDROGEN
S   3
  1      3.386500000000E+01            2.549380000000E-02      
  2      5.094790000000E+00            1.903730000000E-01      
  3      1.158790000000E+00            8.521610000000E-01      
S   1
  1      3.258400000000E-01            1.0000000        
S   1
  1      1.027410000000E-01            1.0000000        
P   1
  1      1.500000000000E+00            1.0000000        
P   1
  1      3.750000000000E-01            1.0000000        


name: MG3S
elt: He
description:
MG3S is a triple-zeta polarized basis set with diffuse functions on all heavy atoms.  It is a modification of Pople's 6-311++G** basis set.

data:
HELIUM
S   3
  1      9.812430000000E+01            2.874520000000E-02      
  2      1.476890000000E+01            2.080610000000E-01      
  3      3.318830000000E+00            8.376350000000E-01      
S   1
  1      8.740470000000E-01            1.0000000        
S   1
  1      2.445640000000E-01            1.0000000        
S   1
  1      8.600000000000E-02            1.0000000        
P   1
  1      1.500000000000E+00            1.0000000        
P   1
  1      3.750000000000E-01            1.0000000        


name: MG3S
elt: Li
description:
MG3S is a triple-zeta polarized basis set with diffuse functions on all heavy atoms.  It is a modification of Pople's 6-311++G** basis set.

data:
LITHIUM
S   6
  1      9.004600000000E+02            2.287040000000E-03      
  2      1.344330000000E+02            1.763500000000E-02      
  3      3.043650000000E+01            8.734340000000E-02      
  4      8.626390000000E+00            2.809770000000E-01      
  5      2.483320000000E+00            6.587410000000E-01      
  6      3.031790000000E-01            1.187120000000E-01      
S   3
  1      4.868900000000E+00            9.332930000000E-02      
  2      8.569240000000E-01            9.430450000000E-01      
  3      2.432270000000E-01           -2.798270000000E-01      
S   1
  1      6.350700000000E-02            1.0000000        
S   1
  1      2.436830000000E-02            1.0000000        
S   1
  1      7.400000000000E-03            1.0000000        
P   3
  1      4.868900000000E+00            3.276610000000E-02      
  2      8.569240000000E-01            1.597920000000E-01      
  3      2.432270000000E-01            8.856670000000E-01      
P   1
  1      6.350700000000E-02            1.0000000        
P   1
  1      2.436830000000E-02            1.0000000        
P   1
  1      7.400000000000E-03            1.0000000        
D   1
  1      4.000000000000E-01            1.0000000        
D   1
  1      1.000000000000E-01            1.0000000        
F   1
  1      1.500000000000E-01            1.0000000        


name: MG3S
elt: Be
data:
BERYLLIUM
S   6
  1      1.682800000000E+03            2.285740000000E-03      
  2      2.517150000000E+02            1.759380000000E-02      
  3      5.741160000000E+01            8.633150000000E-02      
  4      1.651710000000E+01            2.818350000000E-01      
  5      4.853640000000E+00            6.405940000000E-01      
  6      6.268630000000E-01            1.444670000000E-01      
S   3
  1      8.093800000000E+00            1.086210000000E-01      
  2      1.740750000000E+00            9.273010000000E-01      
  3      4.858160000000E-01           -2.971690000000E-01      
S   1
  1      1.636130000000E-01            1.0000000        
S   1
  1      5.672850000000E-02            1.0000000        
S   1
  1      2.070000000000E-02            1.0000000        
P   3
  1      8.093800000000E+00            3.613440000000E-02      
  2      1.740750000000E+00            2.169580000000E-01      
  3      4.858160000000E-01            8.418390000000E-01      
P   1
  1      1.636130000000E-01            1.0000000        
P   1
  1      5.672850000000E-02            1.0000000        
P   1
  1      2.070000000000E-02            1.0000000        
D   1
  1      5.100000000000E-01            1.0000000        
D   1
  1      1.275000000000E-01            1.0000000        
F   1
  1      2.600000000000E-01            1.0000000        


name: MG3S
elt: B
data:
BORON
S   6
  1      2.858890000000E+03            2.153750000000E-03      
  2      4.281400000000E+02            1.658230000000E-02      
  3      9.752820000000E+01            8.218700000000E-02      
  4      2.796930000000E+01            2.766180000000E-01      
  5      8.215770000000E+00            6.293160000000E-01      
  6      1.112780000000E+00            1.737700000000E-01      
S   3
  1      1.324150000000E+01            1.174430000000E-01      
  2      3.001660000000E+00            9.180020000000E-01      
  3      9.128560000000E-01           -2.651050000000E-03      
S   1
  1      3.154540000000E-01            1.0000000        
S   1
  1      9.885630000000E-02            1.0000000        
S   1
  1      3.150000000000E-02            1.0000000        
P   3
  1      1.324150000000E+01            4.181000000000E-02      
  2      3.001660000000E+00            2.365750000000E-01      
  3      9.128560000000E-01            8.162140000000E-01      
P   1
  1      3.154540000000E-01            1.0000000        
P   1
  1      9.885630000000E-02            1.0000000        
P   1
  1      3.150000000000E-02            1.0000000        
D   1
  1      8.020000000000E-01            1.0000000        
D   1
  1      2.005000000000E-01            1.0000000        
F   1
  1      5.000000000000E-01            1.0000000        


name: MG3S
elt: C
data:
CARBON
S   6
  1      4.563240000000E+03            1.966650000000E-03      
  2      6.820240000000E+02            1.523060000000E-02      
  3      1.549730000000E+02            7.612690000000E-02      
  4      4.445530000000E+01            2.608010000000E-01      
  5      1.302900000000E+01            6.164620000000E-01      
  6      1.827730000000E+00            2.210060000000E-01      
S   3
  1      2.096420000000E+01            1.146600000000E-01      
  2      4.803310000000E+00            9.199990000000E-01      
  3      1.459330000000E+00           -3.030680000000E-03      
S   1
  1      4.834560000000E-01            1.0000000        
S   1
  1      1.455850000000E-01            1.0000000        
S   1
  1      4.380000000000E-02            1.0000000        
P   3
  1      2.096420000000E+01            4.024870000000E-02      
  2      4.803310000000E+00            2.375940000000E-01      
  3      1.459330000000E+00            8.158540000000E-01      
P   1
  1      4.834560000000E-01            1.0000000        
P   1
  1      1.455850000000E-01            1.0000000        
P   1
  1      4.380000000000E-02            1.0000000        
D   1
  1      1.252000000000E+00            1.0000000        
D   1
  1      3.130000000000E-01            1.0000000        
F   1
  1      8.000000000000E-01            1.0000000        


name: MG3S
elt: N
data:
NITROGEN
S   6
  1      6.293480000000E+03            1.969790000000E-03      
  2      9.490440000000E+02            1.496130000000E-02      
  3      2.187760000000E+02            7.350060000000E-02      
  4      6.369160000000E+01            2.489370000000E-01      
  5      1.882820000000E+01            6.024600000000E-01      
  6      2.720230000000E+00            2.562020000000E-01      
S   3
  1      3.063310000000E+01            1.119060000000E-01      
  2      7.026140000000E+00            9.216660000000E-01      
  3      2.112050000000E+00           -2.569190000000E-03      
S   1
  1      6.840090000000E-01            1.0000000        
S   1
  1      2.008780000000E-01            1.0000000        
S   1
  1      6.390000000000E-02            1.0000000        
P   3
  1      3.063310000000E+01            3.831190000000E-02      
  2      7.026140000000E+00            2.374030000000E-01      
  3      2.112050000000E+00            8.175920000000E-01      
P   1
  1      6.840090000000E-01            1.0000000        
P   1
  1      2.008780000000E-01            1.0000000        
P   1
  1      6.390000000000E-02            1.0000000        
D   1
  1      1.826000000000E+00            1.0000000        
D   1
  1      4.565000000000E-01            1.0000000        
F   1
  1      1.000000000000E+00            1.0000000        


name: MG3S
elt: O
data:
OXYGEN
S   6
  1      8.588500000000E+03            1.895150000000E-03      
  2      1.297230000000E+03            1.438590000000E-02      
  3      2.992960000000E+02            7.073200000000E-02      
  4      8.737710000000E+01            2.400010000000E-01      
  5      2.567890000000E+01            5.947970000000E-01      
  6      3.740040000000E+00            2.808020000000E-01      
S   3
  1      4.211750000000E+01            1.138890000000E-01      
  2      9.628370000000E+00            9.208110000000E-01      
  3      2.853320000000E+00           -3.274470000000E-03      
S   1
  1      9.056610000000E-01            1.0000000        
S   1
  1      2.556110000000E-01            1.0000000        
S   1
  1      8.450000000000E-02            1.0000000        
P   3
  1      4.211750000000E+01            3.651140000000E-02      
  2      9.628370000000E+00            2.371530000000E-01      
  3      2.853320000000E+00            8.197020000000E-01      
P   1
  1      9.056610000000E-01            1.0000000        
P   1
  1      2.556110000000E-01            1.0000000        
P   1
  1      8.450000000000E-02            1.0000000        
D   1
  1      2.584000000000E+00            1.0000000        
D   1
  1      6.460000000000E-01            1.0000000        
F   1
  1      1.400000000000E+00            1.0000000        


name: MG3S
elt: F
data:
FLUORINE
S   6
  1      1.142710000000E+04            1.800930000000E-03      
  2      1.722350000000E+03            1.374190000000E-02      
  3      3.957460000000E+02            6.813340000000E-02      
  4      1.151390000000E+02            2.333250000000E-01      
  5      3.360260000000E+01            5.890860000000E-01      
  6      4.919010000000E+00            2.995050000000E-01      
S   3
  1      5.544410000000E+01            1.145360000000E-01      
  2      1.263230000000E+01            9.205120000000E-01      
  3      3.717560000000E+00           -3.378040000000E-03      
S   1
  1      1.165450000000E+00            1.0000000        
S   1
  1      3.218920000000E-01            1.0000000        
S   1
  1      1.076000000000E-01            1.0000000        
P   3
  1      5.544410000000E+01            3.546090000000E-02      
  2      1.263230000000E+01            2.374510000000E-01      
  3      3.717560000000E+00            8.204580000000E-01      
P   1
  1      1.165450000000E+00            1.0000000        
P   1
  1      3.218920000000E-01            1.0000000        
P   1
  1      1.076000000000E-01            1.0000000        
D   1
  1      3.500000000000E+00            1.0000000        
D   1
  1      8.750000000000E-01            1.0000000        
F   1
  1      1.850000000000E+00            1.0000000        


name: MG3S
elt: Ne
data:
NEON
S   6
  1      1.399570000000E+04            1.832760000000E-03      
  2      2.117100000000E+03            1.388270000000E-02      
  3      4.904250000000E+02            6.806870000000E-02      
  4      1.438330000000E+02            2.313280000000E-01      
  5      4.192650000000E+01            5.858900000000E-01      
  6      6.156840000000E+00            3.058830000000E-01      
S   3
  1      6.912110000000E+01            1.191490000000E-01      
  2      1.583500000000E+01            9.173750000000E-01      
  3      4.673260000000E+00           -4.058390000000E-03      
S   1
  1      1.457560000000E+00            1.0000000        
S   1
  1      3.970570000000E-01            1.0000000        
S   1
  1      1.300000000000E-01            1.0000000        
P   3
  1      6.912110000000E+01            3.565740000000E-02      
  2      1.583500000000E+01            2.394770000000E-01      
  3      4.673260000000E+00            8.184610000000E-01      
P   1
  1      1.457560000000E+00            1.0000000        
P   1
  1      3.970570000000E-01            1.0000000        
P   1
  1      1.300000000000E-01            1.0000000        
D   1
  1      4.608000000000E+00            1.0000000        
D   1
  1      1.152000000000E+00            1.0000000        
F   1
  1      2.500000000000E+00            1.0000000        


name: MG3S
elt: Na
data:
SODIUM
S   6
  1      3.616640000000E+04            1.032000000000E-03      
  2      5.372580000000E+03            8.071000000000E-03      
  3      1.213210000000E+03            4.212900000000E-02      
  4      3.396230000000E+02            1.697890000000E-01      
  5      1.095530000000E+02            5.146210000000E-01      
  6      3.877730000000E+01            3.798170000000E-01      
S   3
  1      3.877730000000E+01            3.747620000000E-01      
  2      1.457590000000E+01            5.757690000000E-01      
  3      5.269930000000E+00            1.129330000000E-01      
S   1
  1      1.827770000000E+00            1.0000000        
S   1
  1      6.199480000000E-01            1.0000000        
S   1
  1      5.724000000000E-02            1.0000000        
S   1
  1      2.404800000000E-02            1.0000000        
S   1
  1      7.600000000000E-03            1.0000000        
P   4
  1      1.446450000000E+02            1.148500000000E-02      
  2      3.390740000000E+01            8.238300000000E-02      
  3      1.062850000000E+01            3.196580000000E-01      
  4      3.823890000000E+00            7.012950000000E-01      
P   2
  1      1.444290000000E+00            6.385060000000E-01      
  2      5.526210000000E-01            4.253650000000E-01      
P   1
  1      1.887200000000E-01            1.0000000        
P   1
  1      4.650100000000E-02            1.0000000        
P   1
  1      1.628500000000E-02            1.0000000        
P   1
  1      7.600000000000E-03            1.0000000        
D   1
  1      7.000000000000E-01            1.0000000        
D   1
  1      1.750000000000E-01            1.0000000        
D   1
  1      4.375000000000E-02            1.0000000        
F   1
  1      3.000000000000E-01            1.0000000        
F   1
  1      7.500000000000E-02            1.0000000        


name: MG3S
elt: Mg
data:
MAGNESIUM
S   6
  1      4.386650000000E+04            9.180000000000E-04      
  2      6.605370000000E+03            7.047000000000E-03      
  3      1.513260000000E+03            3.594100000000E-02      
  4      4.323170000000E+02            1.414610000000E-01      
  5      1.421490000000E+02            4.267640000000E-01      
  6      5.139830000000E+01            4.979750000000E-01      
S   3
  1      5.139830000000E+01            2.513550000000E-01      
  2      1.991960000000E+01            6.186710000000E-01      
  3      8.024740000000E+00            1.884170000000E-01      
S   1
  1      2.508170000000E+00            1.0000000        
S   1
  1      8.715310000000E-01            1.0000000        
S   1
  1      1.081880000000E-01            1.0000000        
S   1
  1      4.013000000000E-02            1.0000000        
S   1
  1      1.460000000000E-02            1.0000000        
P   4
  1      1.938540000000E+02            1.018800000000E-02      
  2      4.544200000000E+01            7.536000000000E-02      
  3      1.418640000000E+01            3.074190000000E-01      
  4      5.057510000000E+00            7.175750000000E-01      
P   2
  1      1.888610000000E+00            6.673390000000E-01      
  2      7.226520000000E-01            3.946490000000E-01      
P   1
  1      2.364170000000E-01            1.0000000        
P   1
  1      9.335800000000E-02            1.0000000        
P   1
  1      3.480900000000E-02            1.0000000        
P   1
  1      1.460000000000E-02            1.0000000        
D   1
  1      7.000000000000E-01            1.0000000        
D   1
  1      1.750000000000E-01            1.0000000        
D   1
  1      4.375000000000E-02            1.0000000        
F   1
  1      4.000000000000E-01            1.0000000        
F   1
  1      1.000000000000E-01            1.0000000        


name: MG3S
elt: Al
data:
ALUMINUM
S   6
  1      5.486648900000E+04            8.390000000000E-04      
  2      8.211766500000E+03            6.527000000000E-03      
  3      1.866176100000E+03            3.366600000000E-02      
  4      5.311293400000E+02            1.329020000000E-01      
  5      1.751179700000E+02            4.012660000000E-01      
  6      6.400550000000E+01            5.313380000000E-01      
S   3
  1      6.400550000000E+01            2.023050000000E-01      
  2      2.529250700000E+01            6.247900000000E-01      
  3      1.053491000000E+01            2.274390000000E-01      
S   1
  1      3.206711000000E+00            1.0000000        
S   1
  1      1.152555000000E+00            1.0000000        
S   1
  1      1.766780000000E-01            1.0000000        
S   1
  1      6.523700000000E-02            1.0000000        
S   1
  1      3.180000000000E-02            1.0000000        
P   4
  1      2.592836200000E+02            9.448000000000E-03      
  2      6.107687000000E+01            7.097400000000E-02      
  3      1.930323700000E+01            2.956360000000E-01      
  4      7.010882000000E+00            7.282190000000E-01      
P   2
  1      2.673865000000E+00            6.444670000000E-01      
  2      1.036596000000E+00            4.174130000000E-01      
P   1
  1      3.168190000000E-01            1.0000000        
P   1
  1      1.142570000000E-01            1.0000000        
P   1
  1      4.139700000000E-02            1.0000000        
P   1
  1      3.180000000000E-02            1.0000000        
D   1
  1      1.300000000000E+00            1.0000000        
D   1
  1      3.250000000000E-01            1.0000000        
D   1
  1      8.125000000000E-02            1.0000000        
F   1
  1      5.000000000000E-01            1.0000000        
F   1
  1      1.250000000000E-01            1.0000000        


name: MG3S
elt: Si
data:
SILICON
S   6
  1      6.937923000000E+04            7.570000000000E-04      
  2      1.035494000000E+04            5.932000000000E-03      
  3      2.333879600000E+03            3.108800000000E-02      
  4      6.571429500000E+02            1.249670000000E-01      
  5      2.143011300000E+02            3.868970000000E-01      
  6      7.762916800000E+01            5.548880000000E-01      
S   3
  1      7.762916800000E+01            1.778810000000E-01      
  2      3.063080700000E+01            6.277650000000E-01      
  3      1.280129500000E+01            2.476230000000E-01      
S   1
  1      3.926866000000E+00            1.0000000        
S   1
  1      1.452343000000E+00            1.0000000        
S   1
  1      2.562340000000E-01            1.0000000        
S   1
  1      9.427900000000E-02            1.0000000        
S   1
  1      3.310000000000E-02            1.0000000        
P   4
  1      3.354831900000E+02            8.866000000000E-03      
  2      7.890036600000E+01            6.829900000000E-02      
  3      2.498815000000E+01            2.909580000000E-01      
  4      9.219711000000E+00            7.321170000000E-01      
P   2
  1      3.621140000000E+00            6.198790000000E-01      
  2      1.451310000000E+00            4.391480000000E-01      
P   1
  1      5.049770000000E-01            1.0000000        
P   1
  1      1.863170000000E-01            1.0000000        
P   1
  1      6.543200000000E-02            1.0000000        
P   1
  1      3.310000000000E-02            1.0000000        
D   1
  1      1.800000000000E+00            1.0000000        
D   1
  1      4.500000000000E-01            1.0000000        
D   1
  1      1.125000000000E-01            1.0000000        
F   1
  1      6.400000000000E-01            1.0000000        
F   1
  1      1.600000000000E-01            1.0000000        


name: MG3S
elt: P
data:
PHOSPHOROUS
S   6
  1      7.749240000000E+04            7.869212000000E-04      
  2      1.160580000000E+04            6.108245000000E-03      
  3      2.645960000000E+03            3.139689000000E-02      
  4      7.549700000000E+02            1.242379000000E-01      
  5      2.487500000000E+02            3.811538000000E-01      
  6      9.115000000000E+01            5.595372000000E-01      
S   3
  1      9.115000000000E+01            1.641617000000E-01      
  2      3.622000000000E+01            6.259097000000E-01      
  3      1.521000000000E+01            2.620744000000E-01      
S   1
  1      4.710000000000E+00            1.0000000        
S   1
  1      1.780000000000E+00            1.0000000        
S   1
  1      3.400000000000E-01            1.0000000        
S   1
  1      1.200000000000E-01            1.0000000        
S   1
  1      3.480000000000E-02            1.0000000        
P   4
  1      3.848400000000E+02            8.967875000000E-03      
  2      9.055000000000E+01            6.904902000000E-02      
  3      2.880000000000E+01            2.928770000000E-01      
  4      1.068000000000E+01            7.292494000000E-01      
P   2
  1      4.250000000000E+00            6.325822000000E-01      
  2      1.740000000000E+00            4.232996000000E-01      
P   1
  1      5.900000000000E-01            1.0000000        
P   1
  1      2.200000000000E-01            1.0000000        
P   1
  1      8.000000000000E-02            1.0000000        
P   1
  1      3.480000000000E-02            1.0000000        
D   1
  1      2.200000000000E+00            1.0000000        
D   1
  1      5.500000000000E-01            1.0000000        
D   1
  1      1.375000000000E-01            1.0000000        
F   1
  1      9.000000000000E-01            1.0000000        
F   1
  1      2.250000000000E-01            1.0000000        


name: MG3S
elt: S
data:
SULFUR
S   6
  1      9.341340000000E+04            7.420791000000E-04      
  2      1.396170000000E+04            5.787658000000E-03      
  3      3.169910000000E+03            2.994067000000E-02      
  4      9.024500000000E+02            1.189282000000E-01      
  5      2.971500000000E+02            3.681822000000E-01      
  6      1.087000000000E+02            5.776336000000E-01      
S   3
  1      1.087000000000E+02            1.427905000000E-01      
  2      4.315000000000E+01            6.246934000000E-01      
  3      1.810000000000E+01            2.834835000000E-01      
S   1
  1      5.570000000000E+00            1.0000000        
S   1
  1      2.140000000000E+00            1.0000000        
S   1
  1      4.300000000000E-01            1.0000000        
S   1
  1      1.500000000000E-01            1.0000000        
S   1
  1      4.050000000000E-02            1.0000000        
P   4
  1      4.950400000000E+02            8.196253000000E-03      
  2      1.172200000000E+02            6.364204000000E-02      
  3      3.750000000000E+01            2.788060000000E-01      
  4      1.391000000000E+01            7.447404000000E-01      
P   2
  1      5.500000000000E+00            6.168248000000E-01      
  2      2.240000000000E+00            4.402946000000E-01      
P   1
  1      7.700000000000E-01            1.0000000        
P   1
  1      2.900000000000E-01            1.0000000        
P   1
  1      1.000000000000E-01            1.0000000        
P   1
  1      4.050000000000E-02            1.0000000        
D   1
  1      2.600000000000E+00            1.0000000        
D   1
  1      6.500000000000E-01            1.0000000        
D   1
  1      1.625000000000E-01            1.0000000        
F   1
  1      1.100000000000E+00            1.0000000        
F   1
  1      2.750000000000E-01            1.0000000        


name: MG3S
elt: Cl
data:
CHLORINE
S   6
  1      1.058190000000E+05            7.423627000000E-04      
  2      1.587200000000E+04            5.747318000000E-03      
  3      3.619650000000E+03            2.964876000000E-02      
  4      1.030800000000E+03            1.178998000000E-01      
  5      3.399000000000E+02            3.648532000000E-01      
  6      1.245300000000E+02            5.816968000000E-01      
S   3
  1      1.245300000000E+02            1.370443000000E-01      
  2      4.951000000000E+01            6.231380000000E-01      
  3      2.080000000000E+01            2.903279000000E-01      
S   1
  1      6.460000000000E+00            1.0000000        
S   1
  1      2.520000000000E+00            1.0000000        
S   1
  1      5.300000000000E-01            1.0000000        
S   1
  1      1.900000000000E-01            1.0000000        
S   1
  1      4.830000000000E-02            1.0000000        
P   4
  1      5.897800000000E+02            7.873332000000E-03      
  2      1.398500000000E+02            6.155460000000E-02      
  3      4.479000000000E+01            2.742514000000E-01      
  4      1.661000000000E+01            7.498994000000E-01      
P   2
  1      6.590000000000E+00            6.147640000000E-01      
  2      2.710000000000E+00            4.413416000000E-01      
P   1
  1      9.500000000000E-01            1.0000000        
P   1
  1      3.500000000000E-01            1.0000000        
P   1
  1      1.200000000000E-01            1.0000000        
P   1
  1      4.830000000000E-02            1.0000000        
D   1
  1      3.000000000000E+00            1.0000000        
D   1
  1      7.500000000000E-01            1.0000000        
D   1
  1      1.875000000000E-01            1.0000000        
F   1
  1      1.400000000000E+00            1.0000000        
F   1
  1      3.500000000000E-01            1.0000000        


name: MG3S
elt: Ar
data:
ARGON
S   6
  1      1.180220000000E+05            7.461902000000E-04      
  2      1.768350000000E+04            5.786362000000E-03      
  3      4.027770000000E+03            2.990098000000E-02      
  4      1.145400000000E+03            1.191287000000E-01      
  5      3.771600000000E+02            3.687839000000E-01      
  6      1.381600000000E+02            5.767726000000E-01      
S   3
  1      1.381600000000E+02            1.435931000000E-01      
  2      5.498000000000E+01            6.231142000000E-01      
  3      2.317000000000E+01            2.840810000000E-01      
S   1
  1      7.370000000000E+00            1.0000000        
S   1
  1      2.920000000000E+00            1.0000000        
S   1
  1      6.500000000000E-01            1.0000000        
S   1
  1      2.300000000000E-01            1.0000000        
S   1
  1      6.000000000000E-02            1.0000000        
P   4
  1      6.630600000000E+02            7.820021000000E-03      
  2      1.570900000000E+02            6.148333000000E-02      
  3      5.023000000000E+01            2.754731000000E-01      
  4      1.863000000000E+01            7.488402000000E-01      
P   2
  1      7.440000000000E+00           -6.282210000000E-01      
  2      3.090000000000E+00           -4.260202000000E-01      
P   1
  1      1.100000000000E+00            1.0000000        
P   1
  1      4.100000000000E-01            1.0000000        
P   1
  1      1.400000000000E-01            1.0000000        
P   1
  1      6.000000000000E-02            1.0000000        
D   1
  1      3.400000000000E+00            1.0000000        
D   1
  1      8.500000000000E-01            1.0000000        
D   1
  1      2.125000000000E-01            1.0000000        
F   1
  1      1.700000000000E+00            1.0000000        
F   1
  1      4.250000000000E-01            1.0000000        


name: MIDI (Huzinaga)
description: VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
elt: H
data:
HYDROGEN
S   2
  1      4.5018000              0.0704520        
  2      0.6814440              0.4078260        
S   1
  1      0.1513980              1.0000000        


name: MIDI (Huzinaga)
description: VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
elt: He
data:
HELIUM
S   2
  1     13.6267360              0.0802410        
  2      1.9993490              0.4091430        
S   1
  1      0.3829930              1.0000000        


name: MIDI (Huzinaga)
description: VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
elt: Li
data:
LITHIUM
S   3
  1     35.0461500              0.0737600        
  2      5.2016900              0.3974710        
  3      1.0562400              0.6650920        
S   2
  1      0.7151700             -0.0939700        
  2      0.0705300              0.5701000        
S   1
  1      0.0273500              1.0000000        


name: MIDI (Huzinaga)
description: VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
elt: Be
data:
BERYLLIUM
S   3
  1     66.9535400              0.0702000        
  2      9.9392900              0.3919100        
  3      2.0571300              0.6699700        
S   2
  1      1.9122100             -0.0828200        
  2      0.1613200              0.5575530        
S   1
  1      0.0552400              1.0000000        


name: MIDI (Huzinaga)
description: VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
elt: B
data:
BORON
S   3
  1    108.4370400              0.0686510        
  2     16.1205600              0.3899330        
  3      3.3734300              0.6713950        
S   2
  1      3.5665000             -0.0824190        
  2      0.2954700              0.5590640        
S   1
  1      0.0980500              1.0000000        
P   2
  1      2.5720720              0.1059000        
  2      0.5169400              0.4571800        
P   1
  1      0.1231400              1.0000000        


name: MIDI (Huzinaga)
description: VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
elt: C
data:
CARBON
S   3
  1    153.1722600              0.0707400        
  2     23.0730300              0.3953800        
  3      4.9232900              0.6633110        
S   2
  1      5.7255700             -0.0813800        
  2      0.4550400              0.5748530        
S   1
  1      0.1470700              1.0000000        
P   2
  1      4.2513100              0.1099310        
  2      0.8632700              0.4627130        
P   1
  1      0.2013500              1.0000000        


name: MIDI (Huzinaga)
description: VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
elt: N
data:
NITROGEN
S   3
  1    218.3644900              0.0678700        
  2     32.5988900              0.3902020        
  3      6.9173900              0.6700830        
S   2
  1      8.3263800             -0.0808900        
  2      0.6591900              0.5672020        
S   1
  1      0.2100900              1.0000000        
P   2
  1      6.1203500              0.1159190        
  2      1.2593800              0.4699580        
P   1
  1      0.2914500              1.0000000        


name: MIDI (Huzinaga)
description: VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
elt: O
data:
OXYGEN
S   3
  1    281.8665800              0.0690600        
  2     42.4160000              0.3931590        
  3      9.0956200              0.6656690        
S   2
  1     11.4660300             -0.0808200        
  2      0.8878600              0.5820900        
S   1
  1      0.2788000              1.0000000        
P   2
  1      8.0472400              0.1242710        
  2      1.6684200              0.4765940        
P   1
  1      0.3725100              1.0000000        


name: MIDI (Huzinaga)
description: VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
elt: F
data:
FLUORINE
S   3
  1    368.3711200              0.0670400        
  2     55.0610600              0.3892490        
  3     11.7476700              0.6707880        
S   2
  1     15.1518400             -0.0805500        
  2      1.1513700              0.5877290        
S   1
  1      0.3581100              1.0000000        
P   2
  1     10.5770700              0.1262700        
  2      2.1949800              0.4779480        
P   1
  1      0.4793700              1.0000000        


name: MIDI (Huzinaga)
description: VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
elt: Ne
data:
NEON
S   3
  1    456.9528500              0.0669100        
  2     68.3654300              0.3893490        
  3     14.6197600              0.6705180        
S   2
  1     19.3271900             -0.0802500        
  2      1.4418200              0.5952980        
S   1
  1      0.4440800              1.0000000        
P   2
  1     13.3525200              0.1288400        
  2      2.7794700              0.4804410        
P   1
  1      0.6009700              1.0000000        


name: MIDI (Huzinaga)
description: VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
elt: Na
data:
SODIUM
S   3
  1    542.7605300              0.0684100        
  2     81.9594700              0.3920920        
  3     17.7237700              0.6660840        
S   3
  1     23.2804200             -0.0838010        
  2      1.8683400              0.5827940        
  3      0.6232500              0.4924740        
S   2
  1      0.5067300             -0.1157620        
  2      0.0535100              0.6958630        
S   1
  1      0.0208000              1.0000000        
P   3
  1     17.8363600              0.1257100        
  2      3.7956900              0.4804610        
  3      0.8775100              0.6022810        


name: MIDI (Huzinaga)
description: VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
elt: Al
data:
ALUMINUM
S   3
  1    777.4433400              0.0668870        
  2    117.2315300              0.3877680        
  3     25.3762970              0.6707030        
S   3
  1     33.3562530             -0.0889560        
  2      2.8013150              0.6010610        
  3      1.0227330              0.4687860        
S   2
  1      1.3291880             -0.1513890        
  2      0.1616630              0.6593860        
S   1
  1      0.0589890              1.0000000        
P   3
  1     30.5695800              0.1123530        
  2      6.6447010              0.4674670        
  3      1.6543950              0.6097820        
P   2
  1      0.0446520              0.3964700        
  2      0.2996510              0.2264330        
P   1
  1      0.1158480              1.0000000        


name: MIDI (Huzinaga)
description: VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
elt: Si
data:
SILICON
S   3
  1    909.2348700              0.0664050        
  2    137.1245600              0.3862220        
  3     29.7148100              0.6722400        
S   3
  1     39.1294230             -0.0909990        
  2      3.3359810              0.6116150        
  3      1.2512590              0.4568600        
S   2
  1      1.8031010             -0.1687330        
  2      0.2263890              0.6754530        
S   1
  1      0.0823960              1.0000000        
P   3
  1     37.8817610              0.1087530        
  2      8.3045980              0.4635150        
  3      2.1207920              0.6113340        
P   2
  1      0.4478020              0.2389130        
  2      0.0623620              0.3454530        
P   1
  1      0.1708380              1.0000000        


name: MIDI (Huzinaga)
description: VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
elt: P
data:
PHOSPHOROUS
S   3
  1   1053.2658000              0.0658650        
  2    158.7904400              0.3845780        
  3     34.4244070              0.6739630        
S   3
  1     45.4503800             -0.0926550        
  2      3.8999260              0.6265130        
  3      1.4885070              0.4410390        
S   2
  1      2.3008410             -0.1805490        
  2      0.2989590              0.6809520        
S   1
  1      0.1088540              1.0000000        
P   3
  1     46.1000190              0.1053880        
  2     10.1650570              0.4597120        
  3      2.6447940              0.6137140        
P   2
  1      0.6326860              0.2358850        
  2      0.2402190              0.5541600        
P   1
  1      0.0864470              1.0000000        


name: MIDI (Huzinaga)
description: VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
elt: S
data:
SULFUR
S   3
  1   1201.4584000              0.0657650        
  2    181.3921200              0.3839480        
  3     39.4047950              0.6743720        
S   3
  1     52.1390300             -0.0942320        
  2      4.5287990              0.6354680        
  3      1.7549380              0.4315060        
S   2
  1      2.8404370              0.1900420        
  2      0.3814330             -0.6855270        
S   1
  1      0.1387860              1.0000000        
P   3
  1     54.6440710              0.1036730        
  2     12.1229020              0.4581900        
  3      3.2065040              0.6134000        
P   2
  1      0.8632740              0.2294360        
  2      0.1086790              0.3537000        
P   1
  1      0.3181300              1.0000000        


name: MIDI (Huzinaga)
description: VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
elt: Cl
data:
CHLORINE
S   3
  1   1362.0220000              0.0655440        
  2    205.8111000              0.3829870        
  3     44.7721670              0.6752100        
S   3
  1     59.2257320             -0.0956200        
  2      5.2139020              0.6414260        
  3      2.0473460              0.4251530        
S   2
  1      3.4197120              0.1964010        
  2      0.4700170             -0.6923600        
S   1
  1      0.1699580              1.0000000        
P   3
  1     64.0999580              0.1017890        
  2     14.2871390              0.4561070        
  3      3.8281350              0.6142820        
P   2
  1      1.0951260              0.2359030        
  2      0.1321760              0.3466000        
P   1
  1      0.3960040              1.0000000        


name: MIDI (Huzinaga)
description: VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
elt: Ar
data:
ARGON
S   3
  1   1536.9325000              0.0651590        
  2    232.1776500              0.3818070        
  3     50.5216850              0.6764460        
S   3
  1     66.9339490             -0.0967400        
  2      5.9185520              0.6527490        
  3      2.3393420              0.4135730        
S   2
  1      4.0453070              0.2007360        
  2      0.5657010             -0.6962680        
S   1
  1      0.2040650              1.0000000        
P   3
  1     74.3529150              0.1000790        
  2     16.6313460              0.4542260        
  3      4.5039270              0.6152500        
P   2
  1      1.3570910              0.2372760        
  2      0.4881130              0.5583600        
P   1
  1      0.1621260              1.0000000        


name: MIDI (Huzinaga)
description: VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
elt: K
data:
POTASSIUM
S   3
  1   1721.1755000              0.0648750        
  2    260.0163300              0.3808590        
  3     56.6245540              0.6773680        
S   3
  1     75.0556000             -0.0978730        
  2      6.6911630              0.6595600        
  3      2.6671660              0.4065290        
S   3
  1      4.6689370             -0.2129300        
  2      0.7000130              0.6892490        
  3      0.2753340              0.4339250        
S   2
  1      0.2523120             -0.1529800        
  2      0.0376310              0.6817280        
S   1
  1      0.0162180              1.0000000        
P   3
  1     85.7898460              0.0980350        
  2     19.2547940              0.4510410        
  3      5.2686240              0.6177080        
P   3
  1      1.6831450              0.2386360        
  2      0.6258090              0.5710570        
  3      0.2238980              0.3165360        


name: MIDI (Huzinaga)
description: VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
elt: Cs
data:
CESIUM
S   3
  1  15525.8660000              0.0607240        
  2   2349.0055000              0.3658420        
  3    516.2355500              0.6920470        
S   3
  1    687.5050500             -0.1102130        
  2     67.1911570              0.7272030        
  3     27.9920030              0.3401430        
S   3
  1     60.1681880             -0.2753150        
  2     10.8686940              0.8901280        
  3      4.7407050              0.2648630        
S   3
  1      9.8871630             -0.3688270        
  2      2.3693430              0.8325820        
  3      1.1416760              0.3887890        
S   3
  1      1.7690780             -0.3409420        
  2      0.3836200              0.7000970        
  3      0.1713060              0.4934520        
S   2
  1      0.2118490             -0.2750220        
  2      0.0403240              0.1936040        
S   1
  1      0.0170580              1.0000000        
P   3
  1   1024.2833000              0.0791850        
  2    239.6488900              0.4199330        
  3     71.2555480              0.6432510        
P   3
  1    139.4586400             -0.0331230        
  2     25.8108100              0.3891080        
  3     10.1394520              0.6790330        
P   3
  1      4.3242440              0.3816690        
  2      1.9364150              0.5769760        
  3      0.8145050              0.1154050        
P   3
  1      0.5945840              0.3199070        
  2      0.2749920              0.5531870        
  3      0.1115530              0.2160880        
D   3
  1    144.0513900              0.1118300        
  2     40.5051460              0.4768350        
  3     13.0862440              0.5954170        
D   3
  1      7.3715780              0.2537250        
  2      2.7248240              0.5788860        
  3      1.0266780              0.3325980        


name: MIDI!
description: VDZP Valence Double Zeta + Polarization on some atoms
elt: N
data:
NITROGEN
S   3
  1    218.3644900              0.0678700        
  2     32.5988900              0.3902020        
  3      6.9173900              0.6700830        
S   2
  1      8.3263800             -0.0808900        
  2      0.6591900              0.5672020        
S   1
  1      0.2100900              1.0000000        
P   2
  1      6.1203500              0.1159190        
  2      1.2593800              0.4699580        
P   1
  1      0.2914500              1.0000000        
D   1
  1      0.8500000              1.0000000        


name: MIDI!
description: VDZP Valence Double Zeta + Polarization on some atoms
elt: O
data:
OXYGEN
S   3
  1    281.8665800              0.0690600        
  2     42.4160000              0.3931590        
  3      9.0956200              0.6656690        
S   2
  1     11.4660300             -0.0808200        
  2      0.8878600              0.5820900        
S   1
  1      0.2788000              1.0000000        
P   2
  1      8.0472400              0.1242710        
  2      1.6684200              0.4765940        
P   1
  1      0.3725100              1.0000000        
D   1
  1      0.8000000              1.0000000        


name: MIDI!
description: VDZP Valence Double Zeta + Polarization on some atoms
elt: F
data:
FLUORINE
S   3
  1    368.3711200              0.0670400        
  2     55.0610600              0.3892490        
  3     11.7476700              0.6707880        
S   2
  1     15.1518400             -0.0805500        
  2      1.1513700              0.5877290        
S   1
  1      0.3581100              1.0000000        
P   2
  1     10.5770700              0.1262700        
  2      2.1949800              0.4779480        
P   1
  1      0.4793700              1.0000000        
D   1
  1      1.0000000              1.0000000        


name: MIDI!
description: VDZP Valence Double Zeta + Polarization on some atoms
elt: Si
data:
SILICON
S   3
  1    910.6550000              0.0660820        
  2    137.3360000              0.3862290        
  3     29.7601000              0.6723800        
S   3
  1     36.6716000             -0.1045110        
  2      8.3172900              0.1074100        
  3      2.2164500              0.9514460        
S   2
  1      1.0791300             -0.3761080        
  2      0.3024220              1.2516500        
S   1
  1      0.0933390              1.0000000        
P   3
  1     36.6716000              0.1133550        
  2      8.3172900              0.4575780        
  3      2.2164500              0.6074270        
P   2
  1      1.0791300              0.0671030        
  2      0.3024220              0.9568830        
P   1
  1      0.0933390              1.0000000        
D   1
  1      0.4000000              1.0000000        


name: MIDI!
description: VDZP Valence Double Zeta + Polarization on some atoms
elt: P
data:
PHOSPHOROUS
S   3
  1   1053.2658000              0.0658650        
  2    158.7904400              0.3845780        
  3     34.4244070              0.6739630        
S   3
  1     45.4503800             -0.0926550        
  2      3.8999260              0.6265130        
  3      1.4885070              0.4410390        
S   2
  1      2.3008410             -0.1805490        
  2      0.2989590              0.6809520        
S   1
  1      0.1088540              1.0000000        
P   3
  1     46.1000190              0.1053880        
  2     10.1650570              0.4597120        
  3      2.6447940              0.6137140        
P   2
  1      0.6326860              0.2358850        
  2      0.2402190              0.5541600        
P   1
  1      0.0864470              1.0000000        
D   1
  1      0.2500000              1.0000000        


name: MIDI!
description: VDZP Valence Double Zeta + Polarization on some atoms
elt: S
data:
SULFUR
S   3
  1   1201.4584000              0.0657650        
  2    181.3921200              0.3839480        
  3     39.4047950              0.6743720        
S   3
  1     52.1390300             -0.0942320        
  2      4.5287990              0.6354680        
  3      1.7549380              0.4315060        
S   2
  1      2.8404370              0.1900420        
  2      0.3814330             -0.6855270        
S   1
  1      0.1387860              1.0000000        
P   3
  1     54.6440710              0.1036730        
  2     12.1229020              0.4581900        
  3      3.2065040              0.6134000        
P   2
  1      0.8632740              0.2294360        
  2      0.1086790              0.3537000        
P   1
  1      0.3181300              1.0000000        
D   1
  1      0.4000000              1.0000000        


name: MIDI!
description: VDZP Valence Double Zeta + Polarization on some atoms
elt: Cl
data:
CHLORINE
S   3
  1   1362.0220000              0.0655440        
  2    205.8111000              0.3829870        
  3     44.7721670              0.6752100        
S   3
  1     59.2257320             -0.0956200        
  2      5.2139020              0.6414260        
  3      2.0473460              0.4251530        
S   2
  1      3.4197120              0.1964010        
  2      0.4700170             -0.6923600        
S   1
  1      0.1699580              1.0000000        
P   3
  1     64.0999580              0.1017890        
  2     14.2871390              0.4561070        
  3      3.8281350              0.6142820        
P   2
  1      1.0951260              0.2359030        
  2      0.1321760              0.3466000        
P   1
  1      0.3960040              1.0000000        
D   1
  1      0.6500000              1.0000000        


name: MIDI!
description: VDZP Valence Double Zeta + Polarization on some atoms
elt: Br
data:
BROMINE
S   3
  1   6103.2899000              0.06241800       
  2    923.6974300              0.37204100       
  3    202.5203100              0.68587300       
S   3
  1    270.6015000             -0.11214900       
  2     58.2535700              0.09314500       
  3     18.4693300              0.96167900       
S   3
  1     19.7614200             -0.29387000       
  2      6.8217520              0.28026600       
  3      2.2916290              0.90203600       
S   2
  1      2.1312060             -0.65180300       
  2      0.4993540              1.33601200       
S   1
  1      0.1647640              1.0000000        
P   3
  1    270.6015000              0.14775100       
  2     58.2535700              0.60105600       
  3     18.4693300              0.41287000       
P   3
  1     19.7614200              0.02500700       
  2      6.8217520              0.48661000       
  3      2.2916290              0.58242300       
P   2
  1      2.1312060              0.02870800       
  2      0.4993540              0.98407000       
P   1
  1      0.1647640              1.0000000        
D   3
  1     33.9650970              0.14966700       
  2      8.9008310              0.51174800       
  3      2.4284360              0.57591500       
D   1
  1      0.4000000              1.0000000        


name: MIDI!
description: VDZP Valence Double Zeta + Polarization on some atoms
elt: I
data:
IODINE
S   3
  1  14351.1860000              0.0610030        
  2   2173.0741000              0.3666400        
  3    477.8720500              0.6911310        
S   3
  1    648.1887000             -0.1128510        
  2    140.3064000              0.0832280        
  3     45.6988000              0.9697520        
S   3
  1     56.6946900             -0.2736970        
  2     27.4887500              0.0465000        
  3      8.2090960              1.0915760        
S   3
  1      8.1916790             -0.4508280        
  2      3.2445960              0.4632090        
  3      1.3004890              0.8386360        
S   2
  1      1.4513800             -0.6658520        
  2      0.3281030              1.3285840        
S   1
  1      0.1150760              1.0000000        
P   3
  1    648.1887000              0.1541140        
  2    140.3064000              0.6194620        
  3     45.6988000              0.3837580        
P   3
  1     56.6946900             -0.1523220        
  2     27.4887500              0.5437690        
  3      8.2090960              0.6561680        
P   3
  1      8.1916790              0.0118700        
  2      3.2445960              0.5265250        
  3      1.3004890              0.5266080        
P   2
  1      1.4513800              0.0275410        
  2      0.3281030              0.9851370        
P   1
  1      0.1150760              1.0000000        
D   3
  1    128.0902600              0.1158640        
  2     35.9823780              0.4820490        
  3     11.5511160              0.5894450        
D   3
  1      6.1461520              0.2681820        
  2      2.2209370              0.5800610        
  3      0.8099120              0.3262260        
D   1
  1      0.4000000              1.0000000        


name: MINI (Huzinaga)
description: MB Minimal Basis: 1 Function/AO
elt: H
data:
HYDROGEN
S   3
  1      4.5018000              0.0704520        
  2      0.6814440              0.4078260        
  3      0.1513980              0.6477520        


name: MINI (Huzinaga)
description: MB Minimal Basis: 1 Function/AO
elt: He
data:
HELIUM
S   3
  1     13.6267360              0.0802410        
  2      1.9993490              0.4091430        
  3      0.3829930              0.6572780        


name: MINI (Huzinaga)
description: MB Minimal Basis: 1 Function/AO
elt: Li
data:
LITHIUM
S   3
  1     35.0461500              0.0737600        
  2      5.2016900              0.3974710        
  3      1.0562400              0.6650920        
S   3
  1      0.7151700             -0.0939700        
  2      0.0705300              0.5701000        
  3      0.0273500              0.4997500        


name: MINI (Huzinaga)
description: MB Minimal Basis: 1 Function/AO
elt: Be
data:
BERYLLIUM
S   3
  1     66.9535400              0.0702000        
  2      9.9392900              0.3919100        
  3      2.0571300              0.6699700        
S   3
  1      1.9122100             -0.0828200        
  2      0.1613200              0.5575530        
  3      0.0552400              0.5160430        


name: MINI (Huzinaga)
description: MB Minimal Basis: 1 Function/AO
elt: B
data:
BORON
S   3
  1    108.4370400              0.0686510        
  2     16.1205600              0.3899330        
  3      3.3734300              0.6713950        
S   3
  1      3.5665000             -0.0824190        
  2      0.2954700              0.5590640        
  3      0.0980500              0.5167950        
P   3
  1      2.5720720              0.1059000        
  2      0.5169400              0.4571800        
  3      0.1231400              0.6318610        


name: MINI (Huzinaga)
description: MB Minimal Basis: 1 Function/AO
elt: C
data:
CARBON
S   3
  1    153.1722600              0.0707400        
  2     23.0730300              0.3953800        
  3      4.9232900              0.6633110        
S   3
  1      5.7255700             -0.0813800        
  2      0.4550400              0.5748530        
  3      0.1470700              0.5024130        
P   3
  1      4.2513100              0.1099310        
  2      0.8632700              0.4627130        
  3      0.2013500              0.6275140        


name: MINI (Huzinaga)
description: MB Minimal Basis: 1 Function/AO
elt: N
data:
NITROGEN
S   3
  1    218.3644900              0.0678700        
  2     32.5988900              0.3902020        
  3      6.9173900              0.6700830        
S   3
  1      8.3263800             -0.0808900        
  2      0.6591900              0.5672020        
  3      0.2100900              0.5110920        
P   3
  1      6.1203500              0.1159190        
  2      1.2593800              0.4699580        
  3      0.2914500              0.6184480        


name: MINI (Huzinaga)
description: MB Minimal Basis: 1 Function/AO
elt: O
data:
OXYGEN
S   3
  1    281.8665800              0.0690600        
  2     42.4160000              0.3931590        
  3      9.0956200              0.6656690        
S   3
  1     11.4660300             -0.0808200        
  2      0.8878600              0.5820900        
  3      0.2788000              0.4971600        
P   3
  1      8.0472400              0.1242710        
  2      1.6684200              0.4765940        
  3      0.3725100              0.6130440        


name: MINI (Huzinaga)
description: MB Minimal Basis: 1 Function/AO
elt: F
data:
FLUORINE
S   3
  1    368.3711200              0.0670400        
  2     55.0610600              0.3892490        
  3     11.7476700              0.6707880        
S   3
  1     15.1518400             -0.0805500        
  2      1.1513700              0.5877290        
  3      0.3581100              0.4919790        
P   3
  1     10.5770700              0.1262700        
  2      2.1949800              0.4779480        
  3      0.4793700              0.6140080        


name: MINI (Huzinaga)
description: MB Minimal Basis: 1 Function/AO
elt: Ne
data:
NEON
S   3
  1    456.9528500              0.0669100        
  2     68.3654300              0.3893490        
  3     14.6197600              0.6705180        
S   3
  1     19.3271900             -0.0802500        
  2      1.4418200              0.5952980        
  3      0.4440800              0.4848680        
P   3
  1     13.3525200              0.1288400        
  2      2.7794700              0.4804410        
  3      0.6009700              0.6116720        


name: MINI (Huzinaga)
description: MB Minimal Basis: 1 Function/AO
elt: Na
data:
SODIUM
S   3
  1    542.7605300              0.0684100        
  2     81.9594700              0.3920920        
  3     17.7237700              0.6660840        
S   3
  1     23.2804200             -0.0838010        
  2      1.8683400              0.5827940        
  3      0.6232500              0.4924740        
S   3
  1      0.5067300             -0.1157620        
  2      0.0535100              0.6958630        
  3      0.0208000              0.3810470        
P   3
  1     17.8363600              0.1257100        
  2      3.7956900              0.4804610        
  3      0.8775100              0.6022810        


name: MINI (Huzinaga)
description: MB Minimal Basis: 1 Function/AO
elt: Mg
data:
MAGNESIUM
S   3
  1    650.6433670              0.0680300        
  2     98.3707800              0.3907380        
  3     21.3224900              0.6672670        
S   3
  1     27.9773800             -0.0867200        
  2      2.3265200              0.5856970        
  3      0.8180800              0.4864970        
S   3
  1      0.9113400             -0.1276510        
  2      0.0994000              0.6507730        
  3      0.0362300              0.4362720        
P   3
  1     23.2166200              0.1214600        
  2      5.0022200              0.4792910        
  3      1.2046500              0.5989420        


name: MINI (Huzinaga)
description: MB Minimal Basis: 1 Function/AO
elt: Al
data:
ALUMINUM
S   3
  1    777.4433400              0.0668870        
  2    117.2315300              0.3877680        
  3     25.3762970              0.6707030        
S   3
  1     33.3562530             -0.0889560        
  2      2.8013150              0.6010610        
  3      1.0227330              0.4687860        
S   3
  1      1.3291880             -0.1513890        
  2      0.1616630              0.6593860        
  3      0.0589890              0.4386930        
P   3
  1     30.5695800              0.1123530        
  2      6.6447010              0.4674670        
  3      1.6543950              0.6097820        
P   3
  1      0.0446520              0.3964700        
  2      0.2996510              0.2264330        
  3      0.1158480              0.5005860        


name: MINI (Huzinaga)
description: MB Minimal Basis: 1 Function/AO
elt: Si
data:
SILICON
S   3
  1    909.2348700              0.0664050        
  2    137.1245600              0.3862220        
  3     29.7148100              0.6722400        
S   3
  1     39.1294230             -0.0909990        
  2      3.3359810              0.6116150        
  3      1.2512590              0.4568600        
S   3
  1      1.8031010             -0.1687330        
  2      0.2263890              0.6754530        
  3      0.0823950              0.4294190        
P   3
  1     37.8817610              0.1087530        
  2      8.3045980              0.4635150        
  3      2.1207920              0.6113340        
P   3
  1      0.4478020              0.2389130        
  2      0.0623620              0.3454530        
  3      0.1708380              0.5422950        


name: MINI (Huzinaga)
description: MB Minimal Basis: 1 Function/AO
elt: P
data:
PHOSPHOROUS
S   3
  1   1053.2658000              0.0658650        
  2    158.7904400              0.3845780        
  3     34.4244070              0.6739630        
S   3
  1     45.4503770             -0.0926550        
  2      3.8999260              0.6265130        
  3      1.4885070              0.4410390        
S   3
  1      2.3008410             -0.1805490        
  2      0.2989590              0.6809520        
  3      0.1088540              0.4291420        
P   3
  1     46.1000190              0.1053880        
  2     10.1650570              0.4597120        
  3      2.6447940              0.6137140        
P   3
  1      0.6326860              0.2358850        
  2      0.2402190              0.5541600        
  3      0.0864470              0.3365300        


name: MINI (Huzinaga)
description: MB Minimal Basis: 1 Function/AO
elt: S
data:
SULFUR
S   3
  1   1201.4584000              0.0657650        
  2    181.3921200              0.3839480        
  3     39.4047950              0.6743720        
S   3
  1     52.1390300             -0.0942320        
  2      4.5287990              0.6354680        
  3      1.7549380              0.4315060        
S   3
  1      2.8404370              0.1900420        
  2      0.3814330             -0.6855270        
  3      0.1387860             -0.4292720        
P   3
  1     54.6440710              0.1036730        
  2     12.1229020              0.4581900        
  3      3.2065040              0.6134000        
P   3
  1      0.8632740              0.2294360        
  2      0.1086790              0.3537000        
  3      0.3181300              0.5529600        


name: MINI (Huzinaga)
description: MB Minimal Basis: 1 Function/AO
elt: Cl
data:
CHLORINE
S   3
  1   1362.0220000              0.0655440        
  2    205.8111000              0.3829187        
  3     44.7721670              0.6752100        
S   3
  1     59.2257320             -0.0956200        
  2      5.2139020              0.6414260        
  3      2.0473460              0.4251530        
S   3
  1      3.4197120              0.1964010        
  2      0.4700170             -0.6923600        
  3      0.1699580             -0.4261930        
P   3
  1     64.0999580              0.1017890        
  2     14.2871390              0.4561070        
  3      3.8281350              0.6142820        
P   3
  1      1.0951260              0.2359030        
  2      0.1321760              0.3466000        
  3      0.3960040              0.5580660        


name: MINI (Huzinaga)
description: MB Minimal Basis: 1 Function/AO
elt: Ar
data:
ARGON
S   3
  1   1536.9325000              0.0651590        
  2    232.1776500              0.3818070        
  3     50.5216850              0.6764460        
S   3
  1     66.9339490             -0.0967400        
  2      5.9185520              0.6527490        
  3      2.3393420              0.4135730        
S   3
  1      4.0453070              0.2007360        
  2      0.5657010             -0.6962680        
  3      0.2040650             -0.4248430        
P   3
  1     74.3529150              0.1000790        
  2     16.6313460              0.4542260        
  3      4.5039270              0.6152590        
P   3
  1      1.3570910              0.2372760        
  2      0.4881130              0.5583600        
  3      0.1621260              0.3461650        


name: MINI (Huzinaga)
description: MB Minimal Basis: 1 Function/AO
elt: K
data:
POTASSIUM
S   3
  1   1721.1755000              0.0648750        
  2    260.0163300              0.3808590        
  3     56.6245540              0.6773680        
S   3
  1     75.0556000             -0.0978730        
  2      6.6911630              0.6595600        
  3      2.6671660              0.4065290        
S   3
  1      4.6689370             -0.2129300        
  2      0.7000130              0.6892490        
  3      0.2753340              0.4339250        
S   3
  1      0.2523120             -0.1529800        
  2      0.0376310              0.6817280        
  3      0.0162180              0.4144830        
P   3
  1     85.7898460              0.0980350        
  2     19.2547940              0.4510410        
  3      5.2686240              0.6177080        
P   3
  1      1.6831450              0.2386360        
  2      0.6258090              0.5710570        
  3      0.2238980              0.3165360        


name: MINI (Huzinaga)
description: MB Minimal Basis: 1 Function/AO
elt: Ca
data:
CALCIUM
S   3
  1   1915.4348000              0.0646240        
  2    289.5332400              0.3798380        
  3     63.1063520              0.6783290        
S   3
  1     83.6332800             -0.0988820        
  2      7.5118400              0.6660270        
  3      3.0145850              0.3999120        
S   3
  1      5.3707540             -0.2235310        
  2      0.8383800              0.7028860        
  3      0.3462260              0.4235520        
S   3
  1      0.4297410             -0.1793100        
  2      0.0621730              0.6728790        
  3      0.0249480              0.4356660        
P   3
  1     97.9745920              0.0963160        
  2     22.0673840              0.4481080        
  3      6.0938760              0.6199210        
P   3
  1      2.0178860              0.2450290        
  2      0.7666510              0.5843850        
  3      0.2843190              0.2876660        


name: MINI (Scaled)
description: MB Minimal Basis: 1 Function/AO
elt: H
data:
HYDROGEN
S   3
  1      7.0340630              0.0704520        
  2      1.0647560              0.4078260        
  3      0.2365590              0.6477520        


name: MINI (Scaled)
description: MB Minimal Basis: 1 Function/AO
elt: Li
data:
LITHIUM
S   3
  1     35.0461500              0.0737600        
  2      5.2016900              0.3974710        
  3      1.0562400              0.6650920        
S   3
  1      0.8512530             -0.0939700        
  2      0.0839510              0.5701000        
  3      0.0325540              0.4997500        


name: MINI (Scaled)
description: MB Minimal Basis: 1 Function/AO
elt: Be
data:
BERYLLIUM
S   3
  1     66.9535400              0.0702000        
  2      9.9392900              0.3919100        
  3      2.0571300              0.6699700        
S   3
  1      2.3348560             -0.0828200        
  2      0.1969760              0.5575530        
  3      0.0674490              0.5160430        


name: MINI (Scaled)
description: MB Minimal Basis: 1 Function/AO
elt: B
data:
BORON
S   3
  1    108.4370400              0.0686510        
  2     16.1205600              0.3899330        
  3      3.3734300              0.6713950        
S   3
  1      4.4578540             -0.0824190        
  2      0.3693150              0.5590640        
  3      0.1225550              0.5167950        
P   3
  1      3.2148920              0.1059000        
  2      0.6461360              0.4571800        
  3      0.1539160              0.6318610        


name: MINI (Scaled)
description: MB Minimal Basis: 1 Function/AO
elt: C
data:
CARBON
S   3
  1    153.1722600              0.0707400        
  2     23.0730300              0.3953800        
  3      4.9232900              0.6633110        
S   3
  1      6.6166120             -0.0813800        
  2      0.5258560              0.5748530        
  3      0.1699580              0.5024130        
P   3
  1      4.9129200              0.1099310        
  2      0.9976160              0.4627130        
  3      0.2326850              0.6275140        


name: MINI (Scaled)
description: MB Minimal Basis: 1 Function/AO
elt: N
data:
NITROGEN
S   3
  1    218.3644900              0.0678700        
  2     32.5988900              0.3902020        
  3      6.9173900              0.6700830        
S   3
  1      8.9194260             -0.0808900        
  2      0.7061410              0.5672020        
  3      0.2250540              0.5110920        
P   3
  1      6.5562720              0.1159190        
  2      1.3490790              0.4699580        
  3      0.3122090              0.6184480        


name: MINI (Scaled)
description: MB Minimal Basis: 1 Function/AO
elt: O
data:
OXYGEN
S   3
  1    281.8665800              0.0690600        
  2     42.4160000              0.3931590        
  3      9.0956200              0.6656690        
S   3
  1     11.7893260             -0.0808200        
  2      0.9128940              0.5820900        
  3      0.2866610              0.4971600        
P   3
  1      8.2741400              0.1242710        
  2      1.7154630              0.4765940        
  3      0.3830130              0.6130440        


name: MINI (Scaled)
description: MB Minimal Basis: 1 Function/AO
elt: F
data:
FLUORINE
S   3
  1    368.3711200              0.0670400        
  2     55.0610600              0.3892490        
  3     11.7476700              0.6707880        
S   3
  1     15.3647080             -0.0805500        
  2      1.1675460              0.5877290        
  3      0.3631410              0.4919790        
P   3
  1     10.7256670              0.1262700        
  2      2.2258170              0.4779480        
  3      0.4861050              0.6140080        


name: MINI (Scaled)
description: MB Minimal Basis: 1 Function/AO
elt: Na
data:
SODIUM
S   3
  1    542.7605300              0.0684100        
  2     81.9594700              0.3920920        
  3     17.7237700              0.6660840        
S   3
  1     23.2804200             -0.0838010        
  2      1.8683400              0.5827940        
  3      0.6232500              0.4924740        
S   3
  1      0.6176110             -0.1157620        
  2      0.0652190              0.6958630        
  3      0.0253510              0.3810470        
P   3
  1     17.8363600              0.1257100        
  2      3.7956900              0.4804610        
  3      0.8775100              0.6022810        


name: MINI (Scaled)
description: MB Minimal Basis: 1 Function/AO
elt: Mg
data:
MAGNESIUM
S   3
  1    650.6433670              0.0680300        
  2     98.3707800              0.3907380        
  3     21.3224900              0.6672670        
S   3
  1     27.9773800             -0.0867200        
  2      2.3265200              0.5856970        
  3      0.8180800              0.4864970        
S   3
  1      1.0847510             -0.1276510        
  2      0.1183140              0.6507730        
  3      0.0431240              0.4362720        
P   3
  1     23.2166200              0.1214600        
  2      5.0022200              0.4792910        
  3      1.2046500              0.5989420        


name: MINI (Scaled)
description: MB Minimal Basis: 1 Function/AO
elt: Al
data:
ALUMINUM
S   3
  1    777.4433400              0.0668870        
  2    117.2315300              0.3877680        
  3     25.3762970              0.6707030        
S   3
  1     33.3562530             -0.0889560        
  2      2.8013150              0.6010610        
  3      1.0227330              0.4687860        
S   3
  1      1.6852460             -0.1513890        
  2      0.2049690              0.6593860        
  3      0.0747900              0.4386930        
P   3
  1     30.5695800              0.1123530        
  2      6.6447010              0.4674670        
  3      1.6543950              0.6097820        
P   3
  1      0.0566130              0.3964700        
  2      0.3799200              0.2264330        
  3      0.1468810              0.5005860        


name: MINI (Scaled)
description: MB Minimal Basis: 1 Function/AO
elt: Si
data:
SILICON
S   3
  1    909.2348700              0.0664050        
  2    137.1245600              0.3862220        
  3     29.7148100              0.6722400        
S   3
  1     39.1294230             -0.0909990        
  2      3.3359810              0.6116150        
  3      1.2512590              0.4568600        
S   3
  1      2.1976490             -0.1687330        
  2      0.2759270              0.6754530        
  3      0.1004250              0.4294190        
P   3
  1     37.8817610              0.1087530        
  2      8.3045980              0.4635150        
  3      2.1207920              0.6113340        
P   3
  1      0.5457890              0.2389130        
  2      0.0760070              0.3454530        
  3      0.2082200              0.5422950        


name: MINI (Scaled)
description: MB Minimal Basis: 1 Function/AO
elt: P
data:
PHOSPHOROUS
S   3
  1   1053.2658000              0.0658650        
  2    158.7904400              0.3845780        
  3     34.4244070              0.6739630        
S   3
  1     45.4503770             -0.0926550        
  2      3.8999260              0.6265130        
  3      1.4885070              0.4410390        
S   3
  1      2.4694830             -0.1805490        
  2      0.3208720              0.6809520        
  3      0.1168320              0.4291420        
P   3
  1     46.1000190              0.1053880        
  2     10.1650570              0.4597120        
  3      2.6447940              0.6137140        
P   3
  1      0.6790590              0.2358850        
  2      0.2578260              0.5541600        
  3      0.0927830              0.3365300        


name: MINI (Scaled)
description: MB Minimal Basis: 1 Function/AO
elt: S
data:
SULFUR
S   3
  1   1201.4584000              0.0657650        
  2    181.3921200              0.3839480        
  3     39.4047950              0.6743720        
S   3
  1     52.1390300             -0.0942320        
  2      4.5287990              0.6354680        
  3      1.7549380              0.4315060        
S   3
  1      2.9205260              0.1900420        
  2      0.3921870             -0.6855270        
  3      0.1426990             -0.4292720        
P   3
  1     54.6440710              0.1036730        
  2     12.1229020              0.4581900        
  3      3.2065040              0.6134000        
P   3
  1      0.8876150              0.2294360        
  2      0.1117430              0.3537000        
  3      0.3271000              0.5529600        


name: MINI (Scaled)
description: MB Minimal Basis: 1 Function/AO
elt: Cl
data:
CHLORINE
S   3
  1   1362.0220000              0.0655440        
  2    205.8111000              0.3829870        
  3     44.7721670              0.6752100        
S   3
  1     59.2257320             -0.0956200        
  2      5.2139020              0.6414260        
  3      2.0473460              0.4251530        
S   3
  1      3.4471240              0.1964010        
  2      0.4737850             -0.6923600        
  3      0.1713210             -0.4261930        
P   3
  1     64.0999580              0.1017890        
  2     14.2871390              0.4561070        
  3      3.8281350              0.6142820        
P   3
  1      1.1039040              0.2359030        
  2      0.1332360              0.3466000        
  3      0.3991780              0.5580660        


name: MINI (Scaled)
description: MB Minimal Basis: 1 Function/AO
elt: K
data:
POTASSIUM
S   3
  1   1721.1755000              0.0648750        
  2    260.0163300              0.3808590        
  3     56.6245540              0.6773680        
S   3
  1     75.0556000             -0.0978730        
  2      6.6911630              0.6595600        
  3      2.6671660              0.4065290        
S   3
  1      4.6689370             -0.2129300        
  2      0.7000130              0.6892490        
  3      0.2753340              0.4339250        
S   3
  1      0.3227470             -0.1529800        
  2      0.0481360              0.6817280        
  3      0.0207460              0.4144830        
P   3
  1     85.7898460              0.0980350        
  2     19.2547940              0.4510410        
  3      5.2686240              0.6177080        
P   3
  1      1.6831450              0.2386360        
  2      0.6258090              0.5710570        
  3      0.2238980              0.3165360        


name: MINI (Scaled)
description: MB Minimal Basis: 1 Function/AO
elt: Ca
data:
CALCIUM
S   3
  1   1915.4348000              0.0646240        
  2    289.5332400              0.3798380        
  3     63.1063520              0.6783290        
S   3
  1     83.6332800             -0.0988820        
  2      7.5118400              0.6660270        
  3      3.0145850              0.3999120        
S   3
  1      5.3707540             -0.2235310        
  2      0.8383800              0.7028860        
  3      0.3462260              0.4235520        
S   3
  1      0.5068340             -0.1793100        
  2      0.0733270              0.6728790        
  3      0.0294240              0.4356660        
P   3
  1     97.9745920              0.0963160        
  2     22.0673840              0.4481080        
  3      6.0938760              0.6199210        
P   3
  1      2.0178860              0.2450290        
  2      0.7666510              0.5843850        
  3      0.2843190              0.2876660        


name: McLean/Chandler VTZ
description: VTZ Valence Triple Zeta: 3 Functions/Valence AO
elt: Na
data:
SODIUM
S   6
  1  36166.4000000              0.0010320        
  2   5372.5800000              0.0080710        
  3   1213.2100000              0.0421290        
  4    339.6230000              0.1697890        
  5    109.5530000              0.5146210        
  6     38.7773000              0.3798170        
S   3
  1     38.7773000              0.3747620        
  2     14.5759000              0.5757690        
  3      5.2699300              0.1129330        
S   1
  1      1.8277700              1.0000000        
S   1
  1      0.6199480              1.0000000        
S   1
  1      0.0572400              1.0000000        
S   1
  1      0.0240480              1.0000000        
P   4
  1    144.6450000              0.0114850        
  2     33.9074000              0.0823830        
  3     10.6285000              0.3196580        
  4      3.8238900              0.7012950        
P   2
  1      1.4442900              0.6385060        
  2      0.5526210              0.4253650        
P   1
  1      0.1887200              1.0000000        
P   1
  1      0.0465010              1.0000000        
P   1
  1      0.0162850              1.0000000        


name: McLean/Chandler VTZ
description: VTZ Valence Triple Zeta: 3 Functions/Valence AO
elt: P
data:
PHOSPHOROUS
S   6
  1  77492.4000000              0.0007810        
  2  11605.8000000              0.0060680        
  3   2645.9600000              0.0311600        
  4    754.9800000              0.1234310        
  5    248.7550000              0.3782090        
  6     91.1565000              0.5632620        
S   3
  1     91.1565000              0.1602550        
  2     36.2257000              0.6276470        
  3     15.2113000              0.2638490        
S   1
  1      4.7941700              1.0000000        
S   1
  1      1.8079300              1.0000000        
S   1
  1      0.3568160              1.0000000        
S   1
  1      0.1147830              1.0000000        
P   4
  1    384.8430000              0.0092060        
  2     90.5521000              0.0698740        
  3     29.1339000              0.2924700        
  4     10.8862000              0.7281030        
P   2
  1      4.3525900              0.6283490        
  2      1.7770600              0.4280440        
P   1
  1      0.6970050              1.0000000        
P   1
  1      0.2535320              1.0000000        
P   1
  1      0.0684930              1.0000000        


name: McLean/Chandler VTZ
description: VTZ Valence Triple Zeta: 3 Functions/Valence AO
elt: Ar
data:
ARGON
S   6
  1 118022.3800000              0.0007470        
  2  17683.5410000              0.0057900        
  3   4027.7657000              0.0299190        
  4   1145.3977000              0.1192060        
  5    377.1637500              0.3690280        
  6    138.1596900              0.5764590        
S   3
  1    138.1596900              0.1439270        
  2     54.9891170              0.6229380        
  3     23.1706670              0.2839640        
S   1
  1      7.3778600              1.0000000        
S   1
  1      2.9236880              1.0000000        
S   1
  1      0.6504050              1.0000000        
S   1
  1      0.2328250              1.0000000        
P   5
  1    663.0620100              0.0030820        
  2    157.0928100              0.0241650        
  3     50.2311000              0.1082230        
  4     18.6353450              0.2941920        
  5      7.4465370              0.6878620        
P   2
  1      7.4465370             -0.1214482        
  2      3.0956980              0.1632370        
P   1
  1      1.1064630              1.0000000        
P   1
  1      0.4156010              1.0000000        
P   1
  1      0.1454490              1.0000000        


name: NASA Ames ANO
description: VQZ3P Valence Quadruple Zeta + Polarization on All Atoms
elt: H
data:
HYDROGEN
S   8
  1    402.0099000             -0.0002420        
  2     60.2419600             -0.0017760        
  3     13.7321700             -0.0098970        
  4      3.9045050             -0.0347650        
  5      1.2827090             -0.1213760        
  6      0.4655440             -0.2207770        
  7      0.1811200             -0.1901840        
  8      0.0727910             -0.0506570        
S   8
  1    402.0099000             -0.0003560        
  2     60.2419600             -0.0012740        
  3     13.7321700             -0.0184930        
  4      3.9045050             -0.0175190        
  5      1.2827090             -0.4574310        
  6      0.4655440             -0.3222800        
  7      0.1811200              0.5788380        
  8      0.0727910              0.1181480        
S   8
  1    402.0099000             -0.0004190        
  2     60.2419600             -0.0036150        
  3     13.7321700             -0.0175070        
  4      3.9045050             -0.1636840        
  5      1.2827090             -1.1775920        
  6      0.4655440              1.8452390        
  7      0.1811200             -0.7117840        
  8      0.0727910             -0.1712490        
S   8
  1    402.0099000              0.0003410        
  2     60.2419600             -0.0195380        
  3     13.7321700              0.0513770        
  4      3.9045050             -1.3200520        
  5      1.2827090              1.7404130        
  6      0.4655440             -0.6684020        
  7      0.1811200             -0.4990350        
  8      0.0727910              0.5429700        
P   6
  1      9.8800000              0.0030850        
  2      3.9500000              0.0029690        
  3      1.5800000              0.0838760        
  4      0.6300000              0.3251330        
  5      0.2500000              0.1896030        
  6      0.1000000              0.0177080        
P   6
  1      9.8800000             -0.0173510        
  2      3.9500000              0.0212530        
  3      1.5800000             -0.5528160        
  4      0.6300000             -0.1528990        
  5      0.2500000              0.5248460        
  6      0.1000000              0.0141110        
P   6
  1      9.8800000              0.0037360        
  2      3.9500000             -0.2742180        
  3      1.5800000             -0.7744190        
  4      0.6300000              1.3699310        
  5      0.2500000             -0.7356830        
  6      0.1000000             -0.0227040        
D   4
  1      4.0000000              0.0012650        
  2      1.6000000             -0.1599150        
  3      0.6400000             -0.3822080        
  4      0.2600000             -0.1004870        
D   4
  1      4.0000000             -0.0337990        
  2      1.6000000             -0.6592290        
  3      0.6400000              0.2157450        
  4      0.2600000              0.3213840        
F   3
  1      2.5000000             -0.0408970        
  2      1.0000000             -0.2615790        
  3      0.4000000             -0.1040000        


name: NASA Ames ANO
description: VQZ3P Valence Quadruple Zeta + Polarization on All Atoms
elt: B
data:
BORON
S   13
  1  46535.6300000              0.0000380        
  2   6970.7830000              0.0002990        
  3   1586.4320000              0.0015680        
  4    449.3104000              0.0065620        
  5    146.5617000              0.0231910        
  6     52.8838700              0.0697770        
  7     20.5582500              0.1716170        
  8      8.4346280              0.3199740        
  9      3.6075170              0.3757770        
 10      1.5673140              0.1825440        
 11      0.4593870              0.0078890        
 12      0.1837770             -0.0093260        
 13      0.0723520             -0.0023760        
S   13
  1  46535.6300000              0.0000070        
  2   6970.7830000              0.0000580        
  3   1586.4320000              0.0003040        
  4    449.3104000              0.0012650        
  5    146.5617000              0.0045710        
  6     52.8838700              0.0138730        
  7     20.5582500              0.0368460        
  8      8.4346280              0.0755700        
  9      3.6075170              0.1311800        
 10      1.5673140              0.1040660        
 11      0.4593870             -0.2948750        
 12      0.1837770             -0.5951940        
 13      0.0723520             -0.2524680        
S   13
  1  46535.6300000             -0.0000100        
  2   6970.7830000             -0.0000780        
  3   1586.4320000             -0.0004250        
  4    449.3104000             -0.0016870        
  5    146.5617000             -0.0064940        
  6     52.8838700             -0.0183720        
  7     20.5582500             -0.0546770        
  8      8.4346280             -0.0988440        
  9      3.6075170             -0.2216270        
 10      1.5673140             -0.1087330        
 11      0.4593870              1.3673000        
 12      0.1837770             -0.1605360        
 13      0.0723520             -1.0104560        
S   13
  1  46535.6300000             -0.0000160        
  2   6970.7830000             -0.0000850        
  3   1586.4320000             -0.0007330        
  4    449.3104000             -0.0015000        
  5    146.5617000             -0.0126640        
  6     52.8838700             -0.0118850        
  7     20.5582500             -0.1309810        
  8      8.4346280             -0.0009110        
  9      3.6075170             -0.7435660        
 10      1.5673140              0.8805460        
 11      0.4593870              1.5945060        
 12      0.1837770             -3.3625760        
 13      0.0723520              1.9998600        
S   13
  1  46535.6300000             -0.0000280        
  2   6970.7830000             -0.0001330        
  3   1586.4320000             -0.0013340        
  4    449.3104000             -0.0021150        
  5    146.5617000             -0.0241030        
  6     52.8838700             -0.0172690        
  7     20.5582500             -0.2817730        
  8      8.4346280              0.0919280        
  9      3.6075170             -1.6619490        
 10      1.5673140              3.7482510        
 11      0.4593870             -4.3671240        
 12      0.1837770              3.7211240        
 13      0.0723520             -1.4579420        
P   8
  1     69.0708300              0.0007880        
  2     16.3163100              0.0060540        
  3      5.1155360              0.0268150        
  4      1.8218350              0.0876760        
  5      0.7134520              0.2299150        
  6      0.2921230              0.3928250        
  7      0.1211450              0.3591870        
  8      0.0496310              0.1267060        
P   8
  1     69.0708300             -0.0006780        
  2     16.3163100             -0.0046420        
  3      5.1155360             -0.0191090        
  4      1.8218350             -0.0236700        
  5      0.7134520             -0.4489010        
  6      0.2921230             -0.5555940        
  7      0.1211450              0.6756720        
  8      0.0496310              0.4898320        
P   8
  1     69.0708300             -0.0021280        
  2     16.3163100             -0.0213760        
  3      5.1155360             -0.0857400        
  4      1.8218350             -0.4424910        
  5      0.7134520             -0.7928600        
  6      0.2921230              1.2734220        
  7      0.1211450              0.0686900        
  8      0.0496310             -0.6435200        
P   8
  1     69.0708300              0.0042950        
  2     16.3163100              0.0455420        
  3      5.1155360              0.2271550        
  4      1.8218350              1.2038240        
  5      0.7134520             -1.7811720        
  6      0.2921230              0.5551810        
  7      0.1211450              0.8395040        
  8      0.0496310             -0.8663320        
D   6
  1      4.9400000              0.0049470        
  2      1.9800000              0.0211630        
  3      0.7900000              0.2284320        
  4      0.3200000              0.5540020        
  5      0.1300000              0.3358490        
  6      0.0500000              0.0315590        
D   6
  1      4.9400000              0.0012420        
  2      1.9800000              0.0295490        
  3      0.7900000             -0.8524410        
  4      0.3200000             -0.0562740        
  5      0.1300000              0.7923540        
  6      0.0500000              0.0523140        
D   6
  1      4.9400000             -0.0332890        
  2      1.9800000              0.4971840        
  3      0.7900000              0.7012450        
  4      0.3200000             -1.5635310        
  5      0.1300000              0.9384830        
  6      0.0500000              0.1343160        
F   4
  1      2.3700000             -0.0006330        
  2      0.9500000              0.2685220        
  3      0.3800000              0.6569880        
  4      0.1500000              0.2361740        
F   4
  1      2.3700000              0.0234220        
  2      0.9500000             -0.9760110        
  3      0.3800000              0.3028120        
  4      0.1500000              0.5859530        
G   2
  1      1.1400000              0.0226120        
  2      0.4600000              0.0618390        


name: NASA Ames ANO
description: VQZ3P Valence Quadruple Zeta + Polarization on All Atoms
elt: C
data:
CARBON
S   13
  1  50557.5000000             -0.0000550        
  2   7524.7860000             -0.0004340        
  3   1694.3280000             -0.0023160        
  4    472.8228000             -0.0098720        
  5    151.7108000             -0.0352170        
  6     53.9187500             -0.1041840        
  7     20.6593100             -0.2412550        
  8      8.3839760             -0.3839290        
  9      3.5770150             -0.3082190        
 10      1.5471180             -0.0685280        
 11      0.6130130             -0.0008300        
 12      0.2460680             -0.0007820        
 13      0.0990870              0.0000400        
S   13
  1  50557.5000000              0.0000120        
  2   7524.7860000              0.0000930        
  3   1694.3280000              0.0004990        
  4    472.8228000              0.0021300        
  5    151.7108000              0.0077300        
  6     53.9187500              0.0235640        
  7     20.6593100              0.0595220        
  8      8.3839760              0.1143360        
  9      3.5770150              0.1522810        
 10      1.5471180              0.0151440        
 11      0.6130130             -0.3771710        
 12      0.2460680             -0.5446960        
 13      0.0990870             -0.2118860        
S   13
  1  50557.5000000              0.0000150        
  2   7524.7860000              0.0001130        
  3   1694.3280000              0.0006190        
  4    472.8228000              0.0025730        
  5    151.7108000              0.0097100        
  6     53.9187500              0.0286220        
  7     20.6593100              0.0784070        
  8      8.3839760              0.1408680        
  9      3.5770150              0.2572040        
 10      1.5471180             -0.1459450        
 11      0.6130130             -1.2807690        
 12      0.2460680              0.3050960        
 13      0.0990870              0.9395570        
S   13
  1  50557.5000000             -0.0000210        
  2   7524.7860000             -0.0001500        
  3   1694.3280000             -0.0009270        
  4    472.8228000             -0.0032930        
  5    151.7108000             -0.0152800        
  6     53.9187500             -0.0361830        
  7     20.6593100             -0.1415290        
  8      8.3839760             -0.1583370        
  9      3.5770150             -0.6198780        
 10      1.5471180              1.6292380        
 11      0.6130130              0.3686210        
 12      0.2460680             -2.6581790        
 13      0.0990870              1.8389120        
S   13
  1  50557.5000000              0.0000270        
  2   7524.7860000              0.0002430        
  3   1694.3280000              0.0010600        
  4    472.8228000              0.0060840        
  5    151.7108000              0.0154970        
  6     53.9187500              0.0841670        
  7     20.6593100              0.1295830        
  8      8.3839760              0.5352150        
  9      3.5770150              0.1404660        
 10      1.5471180             -3.3835810        
 11      0.6130130              5.4782250        
 12      0.2460680             -4.6005230        
 13      0.0990870              1.8602740        
P   8
  1     83.3331600              0.0012590        
  2     19.5576100              0.0096840        
  3      6.0803650              0.0429250        
  4      2.1793170              0.1350750        
  5      0.8651500              0.2877740        
  6      0.3619440              0.3819310        
  7      0.1547400              0.2957000        
  8      0.0654290              0.0894270        
P   8
  1     83.3331600             -0.0014280        
  2     19.5576100             -0.0121100        
  3      6.0803650             -0.0439380        
  4      2.1793170             -0.1715550        
  5      0.8651500             -0.6071950        
  6      0.3619440             -0.1124360        
  7      0.1547400              0.7059750        
  8      0.0654290              0.2946330        
P   8
  1     83.3331600             -0.0033970        
  2     19.5576100             -0.0348970        
  3      6.0803650             -0.1458010        
  4      2.1793170             -0.7141050        
  5      0.8651500             -0.1447190        
  6      0.3619440              1.3380700        
  7      0.1547400             -0.5156130        
  8      0.0654290             -0.4247490        
P   8
  1     83.3331600             -0.0082530        
  2     19.5576100             -0.0463370        
  3      6.0803650             -0.4533180        
  4      2.1793170             -0.8458060        
  5      0.8651500              2.2349810        
  6      0.3619440             -1.7564070        
  7      0.1547400              0.1044810        
  8      0.0654290              0.5895210        
D   6
  1      7.1200000              0.0060430        
  2      2.8500000              0.0323520        
  3      1.1400000              0.2680560        
  4      0.4600000              0.5629150        
  5      0.1800000              0.2947570        
  6      0.0700000              0.0185720        
D   6
  1      7.1200000             -0.0022570        
  2      2.8500000             -0.0814260        
  3      1.1400000             -0.8816000        
  4      0.4600000              0.1898660        
  5      0.1800000              0.6773950        
  6      0.0700000              0.0160090        
D   6
  1      7.1200000              0.0422830        
  2      2.8500000             -0.6511290        
  3      1.1400000             -0.3567930        
  4      0.4600000              1.3926760        
  5      0.1800000             -1.0421080        
  6      0.0700000             -0.0472330        
F   4
  1      3.4200000             -0.0086750        
  2      1.3700000             -0.3177130        
  3      0.5500000             -0.6481920        
  4      0.2200000             -0.1872250        
F   4
  1      3.4200000              0.0577450        
  2      1.3700000              0.9713630        
  3      0.5500000             -0.4559240        
  4      0.2200000             -0.4949370        
G   2
  1      1.6400000              0.2207740        
  2      0.6600000              0.5020490        


name: NASA Ames ANO
description: VQZ3P Valence Quadruple Zeta + Polarization on All Atoms
elt: N
data:
NITROGEN
S   13
  1  74761.7200000             -0.0000500        
  2  11123.6500000             -0.0003940        
  3   2512.6060000             -0.0020880        
  4    703.7773000             -0.0089060        
  5    225.4788000             -0.0320810        
  6     79.6158100             -0.0974240        
  7     30.2372800             -0.2317290        
  8     12.2636200             -0.3775390        
  9      5.2650860             -0.3186230        
 10      2.3334710             -0.0825770        
 11      0.9018560             -0.0031020        
 12      0.3583360             -0.0005370        
 13      0.1410930             -0.0000840        
S   13
  1  74761.7200000             -0.0000110        
  2  11123.6500000             -0.0000870        
  3   2512.6060000             -0.0004630        
  4    703.7773000             -0.0019780        
  5    225.4788000             -0.0072440        
  6     79.6158100             -0.0226460        
  7     30.2372800             -0.0586980        
  8     12.2636200             -0.1145750        
  9      5.2650860             -0.1544720        
 10      2.3334710             -0.0237660        
 11      0.9018560              0.3653340        
 12      0.3583360              0.5391500        
 13      0.1410930              0.2361310        
S   13
  1  74761.7200000             -0.0000130        
  2  11123.6500000             -0.0001000        
  3   2512.6060000             -0.0005420        
  4    703.7773000             -0.0022610        
  5    225.4788000             -0.0085640        
  6     79.6158100             -0.0260120        
  7     30.2372800             -0.0722070        
  8     12.2636200             -0.1338020        
  9      5.2650860             -0.2394150        
 10      2.3334710              0.0774780        
 11      0.9018560              1.1802320        
 12      0.3583360             -0.0507720        
 13      0.1410930             -1.0739830        
S   13
  1  74761.7200000             -0.0000190        
  2  11123.6500000             -0.0001380        
  3   2512.6060000             -0.0008490        
  4    703.7773000             -0.0029900        
  5    225.4788000             -0.0140820        
  6     79.6158100             -0.0337100        
  7     30.2372800             -0.1354030        
  8     12.2636200             -0.1584830        
  9      5.2650860             -0.6205340        
 10      2.3334710              1.3741870        
 11      0.9018560              0.8457250        
 12      0.3583360             -2.8973320        
 13      0.1410930              1.8265160        
S   13
  1  74761.7200000             -0.0000260        
  2  11123.6500000             -0.0002170        
  3   2512.6060000             -0.0010290        
  4    703.7773000             -0.0052720        
  5    225.4788000             -0.0156310        
  6     79.6158100             -0.0716750        
  7     30.2372800             -0.1451730        
  8     12.2636200             -0.4828000        
  9      5.2650860             -0.4292830        
 10      2.3334710              3.6558940        
 11      0.9018560             -5.3943790        
 12      0.3583360              4.3124510        
 13      0.1410930             -1.6751360        
P   8
  1    126.6666000             -0.0011590        
  2     29.8373900             -0.0090760        
  3      9.3940380             -0.0410620        
  4      3.4051040             -0.1308640        
  5      1.3500000             -0.2811560        
  6      0.5576960             -0.3794870        
  7      0.2324490             -0.3084750        
  8      0.0942640             -0.1001230        
P   8
  1    126.6666000             -0.0015400        
  2     29.8373900             -0.0127560        
  3      9.3940380             -0.0544030        
  4      3.4051040             -0.1960780        
  5      1.3500000             -0.5721950        
  6      0.5576960             -0.1210980        
  7      0.2324490              0.6800960        
  8      0.0942640              0.3024740        
P   8
  1    126.6666000              0.0029310        
  2     29.8373900              0.0320590        
  3      9.3940380              0.1301490        
  4      3.4051040              0.6577300        
  5      1.3500000              0.2299880        
  6      0.5576960             -1.3505170        
  7      0.2324490              0.4670660        
  8      0.0942640              0.4716270        
P   8
  1    126.6666000             -0.0063820        
  2     29.8373900             -0.0442630        
  3      9.3940380             -0.3604970        
  4      3.4051040             -0.9660740        
  5      1.3500000              2.1275980        
  6      0.5576960             -1.3666180        
  7      0.2324490             -0.2592450        
  8      0.0942640              0.7251700        
D   6
  1      9.8800000             -0.0075870        
  2      3.9500000             -0.0395040        
  3      1.5800000             -0.2954160        
  4      0.6300000             -0.5571910        
  5      0.2500000             -0.2672820        
  6      0.1000000             -0.0226350        
D   6
  1      9.8800000             -0.0070770        
  2      3.9500000             -0.1375520        
  3      1.5800000             -0.8397580        
  4      0.6300000              0.2322790        
  5      0.2500000              0.6454730        
  6      0.1000000              0.0262550        
D   6
  1      9.8800000              0.0405900        
  2      3.9500000             -0.6978630        
  3      1.5800000             -0.2316980        
  4      0.6300000              1.3280670        
  5      0.2500000             -1.0562720        
  6      0.1000000             -0.0453790        
F   4
  1      4.7400000             -0.0156330        
  2      1.9000000             -0.3314390        
  3      0.7600000             -0.6419220        
  4      0.3000000             -0.1791490        
F   4
  1      4.7400000              0.0985510        
  2      1.9000000              0.9406250        
  3      0.7600000             -0.4776820        
  4      0.3000000             -0.4789520        
G   2
  1      2.2800000             -0.1016900        
  2      0.9100000             -0.2182890        


name: NASA Ames ANO
description: VQZ3P Valence Quadruple Zeta + Polarization on All Atoms
elt: O
data:
OXYGEN
S   13
  1 105374.9000000             -0.0000460        
  2  15679.2400000             -0.0003610        
  3   3534.5450000             -0.0019200        
  4    987.3652000             -0.0082060        
  5    315.9788000             -0.0297250        
  6    111.6543000             -0.0904520        
  7     42.6994500             -0.2174020        
  8     17.3956000             -0.3687200        
  9      7.4383090             -0.3372770        
 10      3.2228620             -0.0968080        
 11      1.2538770             -0.0026690        
 12      0.4951550             -0.0011980        
 13      0.1916650              0.0000310        
S   13
  1 105374.9000000              0.0000100        
  2  15679.2400000              0.0000820        
  3   3534.5450000              0.0004380        
  4    987.3652000              0.0018750        
  5    315.9788000              0.0069090        
  6    111.6543000              0.0215870        
  7     42.6994500              0.0564730        
  8     17.3956000              0.1132450        
  9      7.4383090              0.1607000        
 10      3.2228620              0.0336720        
 11      1.2538770             -0.3602440        
 12      0.4951550             -0.5470660        
 13      0.1916650             -0.2385320        
S   13
  1 105374.9000000             -0.0000130        
  2  15679.2400000             -0.0000990        
  3   3534.5450000             -0.0005380        
  4    987.3652000             -0.0022490        
  5    315.9788000             -0.0085730        
  6    111.6543000             -0.0260090        
  7     42.6994500             -0.0729130        
  8     17.3956000             -0.1398840        
  9      7.4383090             -0.2605780        
 10      3.2228620              0.0729810        
 11      1.2538770              1.2852860        
 12      0.4951550             -0.2246480        
 13      0.1916650             -0.9668200        
S   13
  1 105374.9000000             -0.0000180        
  2  15679.2400000             -0.0001240        
  3   3534.5450000             -0.0008190        
  4    987.3652000             -0.0026510        
  5    315.9788000             -0.0139020        
  6    111.6543000             -0.0288900        
  7     42.6994500             -0.1371420        
  8     17.3956000             -0.1283230        
  9      7.4383090             -0.7172940        
 10      3.2228620              1.5531810        
 11      1.2538770              0.5737480        
 12      0.4951550             -2.6840910        
 13      0.1916650              1.7723270        
S   13
  1 105374.9000000              0.0000230        
  2  15679.2400000              0.0002010        
  3   3534.5450000              0.0008920        
  4    987.3652000              0.0050000        
  5    315.9788000              0.0130480        
  6    111.6543000              0.0682180        
  7     42.6994500              0.1149180        
  8     17.3956000              0.5126890        
  9      7.4383090              0.4232850        
 10      3.2228620             -3.6436580        
 11      1.2538770              5.3817360        
 12      0.4951550             -4.3016680        
 13      0.1916650              1.6892850        
P   8
  1    200.0000000             -0.0008970        
  2     46.5333700             -0.0074020        
  3     14.6218100             -0.0350850        
  4      5.3130660             -0.1157930        
  5      2.1025250             -0.2588670        
  6      0.8502230             -0.3721680        
  7      0.3375970             -0.3362950        
  8      0.1288920             -0.1400770        
P   8
  1    200.0000000             -0.0011700        
  2     46.5333700             -0.0095360        
  3     14.6218100             -0.0461910        
  4      5.3130660             -0.1547550        
  5      2.1025250             -0.4877390        
  6      0.8502230             -0.2739600        
  7      0.3375970              0.5664240        
  8      0.1288920              0.4606190        
P   8
  1    200.0000000              0.0018200        
  2     46.5333700              0.0201190        
  3     14.6218100              0.0824950        
  4      5.3130660              0.4220310        
  5      2.1025250              0.5872920        
  6      0.8502230             -1.0804780        
  7      0.3375970             -0.2290960        
  8      0.1288920              0.8232930        
P   8
  1    200.0000000              0.0025650        
  2     46.5333700              0.0375240        
  3     14.6218100              0.1474520        
  4      5.3130660              0.9769990        
  5      2.1025250             -0.9891480        
  6      0.8502230             -0.5855570        
  7      0.3375970              1.6715550        
  8      0.1288920             -1.1422140        
D   6
  1     12.6500000              0.0091190        
  2      5.0600000              0.0496170        
  3      2.0200000              0.3304950        
  4      0.8100000              0.5518570        
  5      0.3200000              0.2309480        
  6      0.1300000              0.0191480        
D   6
  1     12.6500000             -0.0069980        
  2      5.0600000             -0.1799800        
  3      2.0200000             -0.7960890        
  4      0.8100000              0.2794970        
  5      0.3200000              0.6241430        
  6      0.1300000              0.0443910        
D   6
  1     12.6500000              0.0181860        
  2      5.0600000             -0.7039470        
  3      2.0200000             -0.1663100        
  4      0.8100000              1.2517420        
  5      0.3200000             -0.9982670        
  6      0.1300000             -0.0947370        
F   4
  1      6.0700000              0.0246300        
  2      2.4300000              0.3305760        
  3      0.9700000              0.6026000        
  4      0.3900000              0.2305680        
F   4
  1      6.0700000              0.1341700        
  2      2.4300000              0.8433330        
  3      0.9700000             -0.3159330        
  4      0.3900000             -0.5806660        
G   2
  1      3.1100000              0.2068850        
  2      1.2400000              0.5142530        


name: NASA Ames ANO
description: VQZ3P Valence Quadruple Zeta + Polarization on All Atoms
elt: F
data:
FLUORINE
S   13
  1 103109.5000000             -0.0000640        
  2  15281.0100000             -0.0005030        
  3   3441.5390000             -0.0026680        
  4    967.0948000             -0.0112000        
  5    314.0353000             -0.0390970        
  6    113.4423000             -0.1122630        
  7     44.6447300             -0.2471990        
  8     18.9428700             -0.3680040        
  9      8.5327430             -0.2908630        
 10      3.9194010             -0.0781650        
 11      1.5681570             -0.0035660        
 12      0.6232900             -0.0008280        
 13      0.2408610             -0.0000990        
S   13
  1 103109.5000000              0.0000150        
  2  15281.0100000              0.0001170        
  3   3441.5390000              0.0006210        
  4    967.0948000              0.0026160        
  5    314.0353000              0.0093060        
  6    113.4423000              0.0277210        
  7     44.6447300              0.0673550        
  8     18.9428700              0.1224660        
  9      8.5327430              0.1512910        
 10      3.9194010              0.0079700        
 11      1.5681570             -0.3715510        
 12      0.6232900             -0.5414310        
 13      0.2408610             -0.2241820        
S   13
  1 103109.5000000              0.0000190        
  2  15281.0100000              0.0001450        
  3   3441.5390000              0.0007830        
  4    967.0948000              0.0032360        
  5    314.0353000              0.0118770        
  6    113.4423000              0.0345130        
  7     44.6447300              0.0902000        
  8     18.9428700              0.1573670        
  9      8.5327430              0.2715840        
 10      3.9194010             -0.1756500        
 11      1.5681570             -1.3303090        
 12      0.6232900              0.4295620        
 13      0.2408610              0.8476670        
S   13
  1 103109.5000000              0.0000260        
  2  15281.0100000              0.0001800        
  3   3441.5390000              0.0011590        
  4    967.0948000              0.0037830        
  5    314.0353000              0.0188610        
  6    113.4423000              0.0376680        
  7     44.6447300              0.1712260        
  8     18.9428700              0.1249010        
  9      8.5327430              0.8289720        
 10      3.9194010             -2.0976590        
 11      1.5681570              0.1895160        
 12      0.6232900              2.1772700        
 13      0.2408610             -1.6405690        
S   13
  1 103109.5000000             -0.0000290        
  2  15281.0100000             -0.0002920        
  3   3441.5390000             -0.0010440        
  4    967.0948000             -0.0075170        
  5    314.0353000             -0.0125610        
  6    113.4423000             -0.1025060        
  7     44.6447300             -0.0588260        
  8     18.9428700             -0.8356590        
  9      8.5327430              0.3838160        
 10      3.9194010              2.9238160        
 11      1.5681570             -5.1744710        
 12      0.6232900              4.4094980        
 13      0.2408610             -1.8093660        
P   8
  1    245.3303000              0.0009910        
  2     56.9190100              0.0083130        
  3     17.6045700              0.0408510        
  4      6.2749950              0.1356910        
  5      2.4470300              0.2810480        
  6      0.9950600              0.3605290        
  7      0.4039730              0.3143100        
  8      0.1548100              0.1327170        
P   8
  1    245.3303000             -0.0013410        
  2     56.9190100             -0.0116380        
  3     17.6045700             -0.0560920        
  4      6.2749950             -0.2086300        
  5      2.4470300             -0.5326290        
  6      0.9950600             -0.1370460        
  7      0.4039730              0.5989960        
  8      0.1548100              0.3754710        
P   8
  1    245.3303000              0.0019510        
  2     56.9190100              0.0239850        
  3     17.6045700              0.0941780        
  4      6.2749950              0.5468770        
  5      2.4470300              0.3951900        
  6      0.9950600             -1.2697250        
  7      0.4039730              0.1799660        
  8      0.1548100              0.6445770        
P   8
  1    245.3303000             -0.0035290        
  2     56.9190100             -0.0365300        
  3     17.6045700             -0.2146490        
  4      6.2749950             -1.0303070        
  5      2.4470300              1.5924550        
  6      0.9950600             -0.3210870        
  7      0.4039730             -1.0965660        
  8      0.1548100              1.0024140        
D   6
  1     16.0100000             -0.0106260        
  2      6.4000000             -0.0554180        
  3      2.5600000             -0.3540980        
  4      1.0200000             -0.5453290        
  5      0.4100000             -0.2070190        
  6      0.1600000             -0.0200400        
D   6
  1     16.0100000             -0.0091840        
  2      6.4000000             -0.2110560        
  3      2.5600000             -0.7766530        
  4      1.0200000              0.3275020        
  5      0.4100000              0.5958530        
  6      0.1600000              0.0472610        
D   6
  1     16.0100000              0.0095370        
  2      6.4000000             -0.7489530        
  3      2.5600000             -0.0509370        
  4      1.0200000              1.1930080        
  5      0.4100000             -1.0266900        
  6      0.1600000             -0.0732710        
F   4
  1      7.6800000              0.0279290        
  2      3.0700000              0.3522960        
  3      1.2300000              0.6019790        
  4      0.4900000              0.2047560        
F   4
  1      7.6800000              0.1702670        
  2      3.0700000              0.8225970        
  3      1.2300000             -0.3653600        
  4      0.4900000             -0.5564830        
G   2
  1      3.6900000              0.2422500        
  2      1.4800000              0.4848000        


name: NASA Ames ANO
description: VQZ3P Valence Quadruple Zeta + Polarization on All Atoms
elt: Ne
data:
NEON
S   13
  1 166165.1000000             -0.0000470        
  2  23107.5200000             -0.0004010        
  3   5060.1540000             -0.0021930        
  4   1384.6120000             -0.0095880        
  5    436.5126000             -0.0350740        
  6    153.4715000             -0.1046520        
  7     59.3890900             -0.2377150        
  8     24.8619700             -0.3696030        
  9     11.0157000             -0.3061760        
 10      4.9651750             -0.0841810        
 11      1.9365030             -0.0037260        
 12      0.7657280             -0.0009060        
 13      0.2955380             -0.0000970        
S   13
  1 166165.1000000              0.0000110        
  2  23107.5200000              0.0000940        
  3   5060.1540000              0.0005180        
  4   1384.6120000              0.0022660        
  5    436.5126000              0.0084540        
  6    153.4715000              0.0260490        
  7     59.3890900              0.0652960        
  8     24.8619700              0.1223380        
  9     11.0157000              0.1581770        
 10      4.9651750              0.0068050        
 11      1.9365030             -0.3840260        
 12      0.7657280             -0.5364530        
 13      0.2955380             -0.2153010        
S   13
  1 166165.1000000              0.0000140        
  2  23107.5200000              0.0001180        
  3   5060.1540000              0.0006640        
  4   1384.6120000              0.0028190        
  5    436.5126000              0.0109800        
  6    153.4715000              0.0324570        
  7     59.3890900              0.0893800        
  8     24.8619700              0.1556500        
  9     11.0157000              0.2940090        
 10      4.9651750             -0.2056040        
 11      1.9365030             -1.3584610        
 12      0.7657280              0.5384440        
 13      0.2955380              0.7795870        
S   13
  1 166165.1000000              0.0000200        
  2  23107.5200000              0.0001450        
  3   5060.1540000              0.0009860        
  4   1384.6120000              0.0032570        
  5    436.5126000              0.0174250        
  6    153.4715000              0.0347690        
  7     59.3890900              0.1686180        
  8     24.8619700              0.1210790        
  9     11.0157000              0.8926870        
 10      4.9651750             -2.2664330        
 11      1.9365030              0.5034990        
 12      0.7657280              1.9000480        
 13      0.2955380             -1.5575610        
S   13
  1 166165.1000000              0.0000200        
  2  23107.5200000              0.0002330        
  3   5060.1540000              0.0007730        
  4   1384.6120000              0.0063680        
  5    436.5126000              0.0102500        
  6    153.4715000              0.0926510        
  7     59.3890900              0.0463750        
  8     24.8619700              0.8093540        
  9     11.0157000             -0.3518130        
 10      4.9651750             -2.7602720        
 11      1.9365030              4.9964210        
 12      0.7657280             -4.4339140        
 13      0.2955380              1.8817270        
P   8
  1    234.9450000              0.0015830        
  2     55.0773900              0.0125760        
  3     17.3895500              0.0569980        
  4      6.3895370              0.1681760        
  5      2.5420820              0.3072180        
  6      1.0337640              0.3593200        
  7      0.4187880              0.2777820        
  8      0.1646270              0.0959400        
P   8
  1    234.9450000              0.0022120        
  2     55.0773900              0.0185740        
  3     17.3895500              0.0814830        
  4      6.3895370              0.2938600        
  5      2.5420820              0.5407690        
  6      1.0337640             -0.0952100        
  7      0.4187880             -0.6072760        
  8      0.1646270             -0.2468710        
P   8
  1    234.9450000              0.0034260        
  2     55.0773900              0.0365090        
  3     17.3895500              0.1449930        
  4      6.3895370              0.7390660        
  5      2.5420820             -0.1218540        
  6      1.0337640             -1.2039080        
  7      0.4187880              0.6371190        
  8      0.1646270              0.3705060        
P   8
  1    234.9450000              0.0077930        
  2     55.0773900              0.0407820        
  3     17.3895500              0.4391860        
  4      6.3895370              0.7732630        
  5      2.5420820             -2.1396120        
  6      1.0337640              1.6738260        
  7      0.4187880             -0.0788190        
  8      0.1646270             -0.5969450        
D   6
  1     19.7600000              0.0119140        
  2      7.9100000              0.0617980        
  3      3.1600000              0.3708520        
  4      1.2600000              0.5374730        
  5      0.5100000              0.1918420        
  6      0.2000000              0.0200170        
D   6
  1     19.7600000              0.0115800        
  2      7.9100000              0.2345970        
  3      3.1600000              0.7597520        
  4      1.2600000             -0.3630520        
  5      0.5100000             -0.5749240        
  6      0.2000000             -0.0492910        
D   6
  1     19.7600000             -0.0039030        
  2      7.9100000              0.7860850        
  3      3.1600000             -0.0409080        
  4      1.2600000             -1.1330200        
  5      0.5100000              1.0283870        
  6      0.2000000              0.0623780        
F   4
  1      9.4900000              0.0266600        
  2      3.7900000              0.3877580        
  3      1.5200000              0.6085930        
  4      0.6100000              0.1490020        
F   4
  1      9.4900000             -0.2082060        
  2      3.7900000             -0.7976170        
  3      1.5200000              0.4364530        
  4      0.6100000              0.5219250        
G   2
  1      4.5500000             -0.2514800        
  2      1.8200000             -0.4774010        


name: NASA Ames ANO
description: VQZ3P Valence Quadruple Zeta + Polarization on All Atoms
elt: Al
data:
ALUMINUM
S   20
  1 446287.3000000             -0.0000220        
  2 192715.4000000             -0.0000080        
  3  83218.1700000             -0.0000990        
  4  35935.1900000             -0.0002020        
  5  15517.5000000             -0.0006550        
  6   6700.7540000             -0.0017980        
  7   2893.5130000             -0.0051340        
  8   1249.4740000             -0.0143840        
  9    539.5468000             -0.0390420        
 10    232.9866000             -0.1002280        
 11    100.6081000             -0.2221490        
 12     43.4444800             -0.3708840        
 13     18.7601600             -0.3193590        
 14      8.1009930             -0.0758620        
 15      3.4981640             -0.0024550        
 16      1.5105740             -0.0008860        
 17      0.6522950             -0.0000390        
 18      0.2816730              0.0000180        
 19      0.1216320             -0.0000110        
 20      0.0525230              0.0000050        
S   20
  1 446287.3000000              0.0000060        
  2 192715.4000000              0.0000020        
  3  83218.1700000              0.0000260        
  4  35935.1900000              0.0000530        
  5  15517.5000000              0.0001710        
  6   6700.7540000              0.0004680        
  7   2893.5130000              0.0013420        
  8   1249.4740000              0.0037890        
  9    539.5468000              0.0104670        
 10    232.9866000              0.0279470        
 11    100.6081000              0.0676130        
 12     43.4444800              0.1380530        
 13     18.7601600              0.1786390        
 14      8.1009930             -0.0028750        
 15      3.4981640             -0.4175210        
 16      1.5105740             -0.5531540        
 17      0.6522950             -0.1552930        
 18      0.2816730              0.0028370        
 19      0.1216320             -0.0022720        
 20      0.0525230              0.0004760        
S   19
  1 446287.3000000              0.0000010        
  2  83218.1700000              0.0000060        
  3  35935.1900000              0.0000120        
  4  15517.5000000              0.0000400        
  5   6700.7540000              0.0001080        
  6   2893.5130000              0.0003130        
  7   1249.4740000              0.0008770        
  8    539.5468000              0.0024460        
  9    232.9866000              0.0065020        
 10    100.6081000              0.0159470        
 11     43.4444800              0.0328300        
 12     18.7601600              0.0444890        
 13      8.1009930             -0.0021180        
 14      3.4981640             -0.1190750        
 15      1.5105740             -0.2435270        
 16      0.6522950             -0.1841580        
 17      0.2816730              0.2990910        
 18      0.1216320              0.6375160        
 19      0.0525230              0.2822800        
S   20
  1 446287.3000000              0.0000020        
  2 192715.4000000              0.0000010        
  3  83218.1700000              0.0000080        
  4  35935.1900000              0.0000160        
  5  15517.5000000              0.0000540        
  6   6700.7540000              0.0001430        
  7   2893.5130000              0.0004240        
  8   1249.4740000              0.0011640        
  9    539.5468000              0.0033080        
 10    232.9866000              0.0086610        
 11    100.6081000              0.0216430        
 12     43.4444800              0.0439340        
 13     18.7601600              0.0620280        
 14      8.1009930             -0.0079070        
 15      3.4981640             -0.1725310        
 16      1.5105740             -0.3906580        
 17      0.6522950             -0.3168180        
 18      0.2816730              1.8109780        
 19      0.1216320             -0.1964240        
 20      0.0525230             -1.0963580        
S   19
  1 446287.3000000             -0.0000030        
  2  83218.1700000             -0.0000150        
  3  35935.1900000             -0.0000110        
  4  15517.5000000             -0.0001020        
  5   6700.7540000             -0.0001280        
  6   2893.5130000             -0.0007570        
  7   1249.4740000             -0.0011800        
  8    539.5468000             -0.0056330        
  9    232.9866000             -0.0093640        
 10    100.6081000             -0.0367850        
 11     43.4444800             -0.0450640        
 12     18.7601600             -0.1295560        
 13      8.1009930              0.1246950        
 14      3.4981640              0.0317520        
 15      1.5105740              1.3512900        
 16      0.6522950             -1.8128290        
 17      0.2816730             -1.2513990        
 18      0.1216320              3.6932350        
 19      0.0525230             -2.2089260        
S   19
  1 446287.3000000              0.0000040        
  2  83218.1700000              0.0000220        
  3  35935.1900000              0.0000230        
  4  15517.5000000              0.0001450        
  5   6700.7540000              0.0002340        
  6   2893.5130000              0.0010860        
  7   1249.4740000              0.0020650        
  8    539.5468000              0.0081480        
  9    232.9866000              0.0164950        
 10    100.6081000              0.0544180        
 11     43.4444800              0.0827520        
 12     18.7601600              0.1907190        
 13      8.1009930             -0.2269080        
 14      3.4981640             -0.3168100        
 15      1.5105740             -1.8304500        
 16      0.6522950              6.1097180        
 17      0.2816730             -7.9328300        
 18      0.1216320              5.9405300        
 19      0.0525230             -2.2054020        
P   13
  1   1086.6970000             -0.0002650        
  2    439.5274000             -0.0007820        
  3    177.7720000             -0.0041300        
  4     71.9019600             -0.0170060        
  5     29.0815900             -0.0636660        
  6     11.7623900             -0.1870800        
  7      4.7574350             -0.3608060        
  8      1.9242000             -0.4052180        
  9      0.7782650             -0.1795230        
 10      0.3147780             -0.0090350        
 11      0.1273160             -0.0035340        
 12      0.0514940              0.0013060        
 13      0.0208270             -0.0004880        
P   13
  1   1086.6970000             -0.0000500        
  2    439.5274000             -0.0001490        
  3    177.7720000             -0.0007770        
  4     71.9019600             -0.0032370        
  5     29.0815900             -0.0121840        
  6     11.7623900             -0.0367040        
  7      4.7574350             -0.0717950        
  8      1.9242000             -0.0874930        
  9      0.7782650             -0.0305910        
 10      0.3147780              0.2294340        
 11      0.1273160              0.5016700        
 12      0.0514940              0.3680840        
 13      0.0208270              0.0524820        
P   13
  1   1086.6970000             -0.0000630        
  2    439.5274000             -0.0001700        
  3    177.7720000             -0.0009820        
  4     71.9019600             -0.0038320        
  5     29.0815900             -0.0149970        
  6     11.7623900             -0.0434930        
  7      4.7574350             -0.0914300        
  8      1.9242000             -0.1074080        
  9      0.7782650             -0.1370660        
 10      0.3147780              0.8178660        
 11      0.1273160              0.3884830        
 12      0.0514940             -0.9498570        
 13      0.0208270             -0.1469130        
P   13
  1   1086.6970000             -0.0000350        
  2    439.5274000             -0.0005320        
  3    177.7720000             -0.0005580        
  4     71.9019600             -0.0084590        
  5     29.0815900             -0.0142670        
  6     11.7623900             -0.0880600        
  7      4.7574350             -0.0835720        
  8      1.9242000             -0.3565440        
  9      0.7782650              0.3455810        
 10      0.3147780              1.4428600        
 11      0.1273160             -2.2406190        
 12      0.0514940              0.9837240        
 13      0.0208270              0.2398090        
P   13
  1   1086.6970000             -0.0000230        
  2    439.5274000             -0.0012280        
  3    177.7720000             -0.0004040        
  4     71.9019600             -0.0185920        
  5     29.0815900             -0.0226720        
  6     11.7623900             -0.1961010        
  7      4.7574350             -0.1286890        
  8      1.9242000             -0.7614490        
  9      0.7782650              2.6403520        
 10      0.3147780             -2.7866990        
 11      0.1273160              1.4688110        
 12      0.0514940              0.0026120        
 13      0.0208270             -0.5108050        
D   6
  1      3.0700000              0.0126950        
  2      1.2300000              0.0078300        
  3      0.4900000              0.1739390        
  4      0.2000000              0.5921450        
  5      0.0800000              0.3523720        
  6      0.0300000              0.0170190        
D   6
  1      3.0700000              0.0282050        
  2      1.2300000             -0.1334430        
  3      0.4900000              0.7398030        
  4      0.2000000              0.3295820        
  5      0.0800000             -0.9390270        
  6      0.0300000             -0.0534490        
D   6
  1      3.0700000              0.0819980        
  2      1.2300000              0.1220540        
  3      0.4900000             -1.5552120        
  4      0.2000000              1.9529650        
  5      0.0800000             -0.9321900        
  6      0.0300000             -0.1892570        
F   4
  1      1.5800000              0.0210130        
  2      0.6300000             -0.1426860        
  3      0.2500000             -0.6859880        
  4      0.1000000             -0.3185340        
F   4
  1      1.5800000             -0.1496420        
  2      0.6300000              0.7782780        
  3      0.2500000              0.2276380        
  4      0.1000000             -0.8641270        
G   2
  1      1.0600000             -0.0847370        
  2      0.4200000             -0.2321400        


name: NASA Ames ANO
description: VQZ3P Valence Quadruple Zeta + Polarization on All Atoms
elt: P
data:
PHOSPHOROUS
S   18
  1 1948462.0000000             0.0000060        
  2 291808.8000000              0.0000460        
  3  66414.4900000              0.0002390        
  4  18812.8200000              0.0010110        
  5   6137.6770000              0.0036670        
  6   2215.7920000              0.0118270        
  7    864.2240000              0.0342030        
  8    358.3963000              0.0875650        
  9    156.1584000              0.1894050        
 10     70.8394000              0.3155000        
 11     33.2032600              0.3324620        
 12     15.7730600              0.1589360        
 13      6.6411840              0.0176790        
 14      3.0675010             -0.0006250        
 15      1.4162150              0.0007260        
 16      0.4708110             -0.0002240        
 17      0.2115790              0.0001060        
 18      0.0887770             -0.0000330        
S   18
  1 1948462.0000000             0.0000020        
  2 291808.8000000              0.0000120        
  3  66414.4900000              0.0000650        
  4  18812.8200000              0.0002740        
  5   6137.6770000              0.0010010        
  6   2215.7920000              0.0032390        
  7    864.2240000              0.0095550        
  8    358.3963000              0.0252490        
  9    156.1584000              0.0593670        
 10     70.8394000              0.1152380        
 11     33.2032600              0.1696200        
 12     15.7730600              0.0984390        
 13      6.6411840             -0.2441630        
 14      3.0675010             -0.5645630        
 15      1.4162150             -0.3347200        
 16      0.4708110             -0.0234800        
 17      0.2115790              0.0042390        
 18      0.0887770             -0.0011790        
S   17
  1 291808.8000000              0.0000030        
  2  66414.4900000              0.0000180        
  3  18812.8200000              0.0000760        
  4   6137.6770000              0.0002770        
  5   2215.7920000              0.0008920        
  6    864.2240000              0.0026480        
  7    358.3963000              0.0069780        
  8    156.1584000              0.0166440        
  9     70.8394000              0.0324560        
 10     33.2032600              0.0499990        
 11     15.7730600              0.0289330        
 12      6.6411840             -0.0800430        
 13      3.0675010             -0.2549410        
 14      1.4162150             -0.2755500        
 15      0.4708110              0.3255040        
 16      0.2115790              0.6461680        
 17      0.0887770              0.2471940        
S   18
  1 1948462.0000000            -0.0000010        
  2 291808.8000000             -0.0000040        
  3  66414.4900000             -0.0000230        
  4  18812.8200000             -0.0000940        
  5   6137.6770000             -0.0003530        
  6   2215.7920000             -0.0011090        
  7    864.2240000             -0.0033970        
  8    358.3963000             -0.0086340        
  9    156.1584000             -0.0216420        
 10     70.8394000             -0.0398620        
 11     33.2032600             -0.0683050        
 12     15.7730600             -0.0296200        
 13      6.6411840              0.1105090        
 14      3.0675010              0.3816900        
 15      1.4162150              0.4086470        
 16      0.4708110             -1.8725740        
 17      0.2115790              0.3640590        
 18      0.0887770              1.0430610        
S   18
  1 1948462.0000000            -0.0000010        
  2 291808.8000000             -0.0000050        
  3  66414.4900000             -0.0000330        
  4  18812.8200000             -0.0001070        
  5   6137.6770000             -0.0005420        
  6   2215.7920000             -0.0011510        
  7    864.2240000             -0.0055720        
  8    358.3963000             -0.0078440        
  9    156.1584000             -0.0394080        
 10     70.8394000             -0.0244150        
 11     33.2032600             -0.1628340        
 12     15.7730600              0.1057660        
 13      6.6411840             -0.1620660        
 14      3.0675010              1.4916960        
 15      1.4162150             -1.1900970        
 16      0.4708110             -2.2231430        
 17      0.2115790              4.2408410        
 18      0.0887770             -2.3273390        
S   18
  1 1948462.0000000            -0.0000010        
  2 291808.8000000             -0.0000090        
  3  66414.4900000             -0.0000630        
  4  18812.8200000             -0.0001890        
  5   6137.6770000             -0.0010430        
  6   2215.7920000             -0.0019740        
  7    864.2240000             -0.0109200        
  8    358.3963000             -0.0129780        
  9    156.1584000             -0.0802040        
 10     70.8394000             -0.0340870        
 11     33.2032600             -0.3651130        
 12     15.7730600              0.3388420        
 13      6.6411840             -0.1131460        
 14      3.0675010              2.9594160        
 15      1.4162150             -5.5133780        
 16      0.4708110              6.1801650        
 17      0.2115790             -5.0965400        
 18      0.0887770              1.8302610        
P   13
  1   2956.2620000              0.0001100        
  2    700.2848000              0.0009690        
  3    227.3139000              0.0053990        
  4     86.5618400              0.0221710        
  5     36.3338600              0.0707110        
  6     16.2934700              0.1715350        
  7      7.5789660              0.3002250        
  8      3.5788590              0.3606170        
  9      1.6980420              0.2356400        
 10      0.7633580              0.0483800        
 11      0.3421190              0.0000720        
 12      0.1486200              0.0009930        
 13      0.0623450             -0.0001870        
P   13
  1   2956.2620000              0.0000260        
  2    700.2848000              0.0002330        
  3    227.3139000              0.0013010        
  4     86.5618400              0.0053800        
  5     36.3338600              0.0174070        
  6     16.2934700              0.0433010        
  7      7.5789660              0.0774580        
  8      3.5788590              0.0983450        
  9      1.6980420              0.0607030        
 10      0.7633580             -0.1418900        
 11      0.3421190             -0.4222190        
 12      0.1486200             -0.4416050        
 13      0.0623450             -0.1532970        
P   13
  1   2956.2620000             -0.0000350        
  2    700.2848000             -0.0002890        
  3    227.3139000             -0.0017140        
  4     86.5618400             -0.0066670        
  5     36.3338600             -0.0229790        
  6     16.2934700             -0.0533610        
  7      7.5789660             -0.1079150        
  8      3.5788590             -0.1079980        
  9      1.6980420             -0.1671540        
 10      0.7633580              0.5282480        
 11      0.3421190              0.7949330        
 12      0.1486200             -0.7142930        
 13      0.0623450             -0.4907260        
P   13
  1   2956.2620000             -0.0000540        
  2    700.2848000             -0.0005150        
  3    227.3139000             -0.0026990        
  4     86.5618400             -0.0120860        
  5     36.3338600             -0.0361920        
  6     16.2934700             -0.1025540        
  7      7.5789660             -0.1715870        
  8      3.5788590             -0.2117410        
  9      1.6980420             -0.0425570        
 10      0.7633580              1.8194620        
 11      0.3421190             -1.6852000        
 12      0.1486200             -0.2280310        
 13      0.0623450              0.8435440        
P   13
  1   2956.2620000              0.0000570        
  2    700.2848000              0.0012260        
  3    227.3139000              0.0029070        
  4     86.5618400              0.0295840        
  5     36.3338600              0.0397020        
  6     16.2934700              0.2830760        
  7      7.5789660              0.0519940        
  8      3.5788590              0.8875690        
  9      1.6980420             -2.5179650        
 10      0.7633580              1.6696120        
 11      0.3421190              0.5680020        
 12      0.1486200             -1.7810500        
 13      0.0623450              1.1614360        
D   6
  1      4.6000000             -0.0198760        
  2      1.8400000             -0.0178410        
  3      0.7400000             -0.3265710        
  4      0.2900000             -0.6084180        
  5      0.1200000             -0.1788950        
  6      0.0470000             -0.0106940        
D   6
  1      4.6000000              0.0063540        
  2      1.8400000              0.0955530        
  3      0.7400000             -1.0098100        
  4      0.2900000              0.2698990        
  5      0.1200000              0.7356150        
  6      0.0470000             -0.0270120        
D   6
  1      4.6000000              0.1852200        
  2      1.8400000             -0.3744200        
  3      0.7400000             -0.8792550        
  4      0.2900000              1.8945390        
  5      0.1200000             -1.4375760        
  6      0.0470000              0.1146880        
F   4
  1      2.2100000              0.0228670        
  2      0.8800000             -0.3152560        
  3      0.3500000             -0.6957360        
  4      0.1400000             -0.1364460        
F   4
  1      2.2100000             -0.1152820        
  2      0.8800000              1.0917640        
  3      0.3500000             -0.4902590        
  4      0.1400000             -0.5043230        
G   2
  1      1.0600000             -0.0847370        
  2      0.4200000             -0.2321400        


name: NASA Ames ANO
description: VQZ3P Valence Quadruple Zeta + Polarization on All Atoms
elt: Ti
data:
TITANIUM
S   20
  1 5309148.1000000             0.0000040        
  2 794951.6500000              0.0000340        
  3 180907.5600000              0.0001800        
  4  51241.9330000              0.0007590        
  5  16717.4490000              0.0027570        
  6   6035.2659000              0.0089250        
  7   2353.8571000              0.0260620        
  8    976.1464600              0.0681900        
  9    425.4356300              0.1543490        
 10    193.0467700              0.2802810        
 11     90.4393690              0.3483980        
 12     43.0207130              0.2217060        
 13     19.1905550              0.0400210        
 14      9.4257164             -0.0021380        
 15      4.6052434              0.0017210        
 16      2.0378343             -0.0008020        
 17      0.9800318              0.0003570        
 18      0.4456254             -0.0001460        
 19      0.1064170              0.0000550        
 20      0.0525705             -0.0000480        
S   20
  1 5309148.1000000            -0.0000010        
  2 794951.6500000             -0.0000100        
  3 180907.5600000             -0.0000530        
  4  51241.9330000             -0.0002240        
  5  16717.4490000             -0.0008180        
  6   6035.2659000             -0.0026590        
  7   2353.8571000             -0.0078790        
  8    976.1464600             -0.0212220        
  9    425.4356300             -0.0514220        
 10    193.0467700             -0.1067010        
 11     90.4393690             -0.1746820        
 12     43.0207130             -0.1560400        
 13     19.1905550              0.1293030        
 14      9.4257164              0.5384620        
 15      4.6052434              0.4357260        
 16      2.0378343              0.0681210        
 17      0.9800318             -0.0024430        
 18      0.4456254              0.0019660        
 19      0.1064170             -0.0004400        
 20      0.0525705              0.0003920        
S   19
  1 794951.6500000              0.0000040        
  2 180907.5600000              0.0000180        
  3  51241.9330000              0.0000780        
  4  16717.4490000              0.0002840        
  5   6035.2659000              0.0009230        
  6   2353.8571000              0.0027420        
  7    976.1464600              0.0074000        
  8    425.4356300              0.0181190        
  9    193.0467700              0.0381030        
 10     90.4393690              0.0648790        
 11     43.0207130              0.0606710        
 12     19.1905550             -0.0552490        
 13      9.4257164             -0.3126030        
 14      4.6052434             -0.4016560        
 15      2.0378343              0.1716870        
 16      0.9800318              0.6894930        
 17      0.4456254              0.3942150        
 18      0.1064170              0.0257010        
 19      0.0525705             -0.0098290        
S   19
  1 794951.6500000             -0.0000010        
  2 180907.5600000             -0.0000050        
  3  51241.9330000             -0.0000200        
  4  16717.4490000             -0.0000720        
  5   6035.2659000             -0.0002330        
  6   2353.8571000             -0.0006940        
  7    976.1464600             -0.0018700        
  8    425.4356300             -0.0045860        
  9    193.0467700             -0.0096410        
 10     90.4393690             -0.0164770        
 11     43.0207130             -0.0154360        
 12     19.1905550              0.0140600        
 13      9.4257164              0.0836810        
 14      4.6052434              0.1124820        
 15      2.0378343             -0.0589590        
 16      0.9800318             -0.2519770        
 17      0.4456254             -0.2809240        
 18      0.1064170              0.3455540        
 19      0.0525705              0.6191300        
S   20
  1 5309148.1000000            -0.0000110        
  2 794951.6500000              0.0000870        
  3 180907.5600000             -0.0000550        
  4  51241.9330000             -0.0000150        
  5  16717.4490000             -0.0001380        
  6   6035.2659000             -0.0003890        
  7   2353.8571000             -0.0012610        
  8    976.1464600             -0.0031060        
  9    425.4356300             -0.0085010        
 10    193.0467700             -0.0154200        
 11     90.4393690             -0.0324540        
 12     43.0207130             -0.0188950        
 13     19.1905550              0.0035420        
 14      9.4257164              0.2003310        
 15      4.6052434              0.1192040        
 16      2.0378343              0.0579660        
 17      0.9800318             -1.0238220        
 18      0.4456254              0.2735190        
 19      0.1064170              2.0478550        
 20      0.0525705             -1.1914050        
S   20
  1 5309148.1000000            -0.0000270        
  2 794951.6500000              0.0001430        
  3 180907.5600000             -0.0004670        
  4  51241.9330000              0.0018390        
  5  16717.4490000             -0.0015630        
  6   6035.2659000              0.0000440        
  7   2353.8571000             -0.0022500        
  8    976.1464600             -0.0046630        
  9    425.4356300             -0.0131890        
 10    193.0467700             -0.0233800        
 11     90.4393690             -0.0517570        
 12     43.0207130             -0.0251040        
 13     19.1905550             -0.0079240        
 14      9.4257164              0.3605940        
 15      4.6052434              0.1640910        
 16      2.0378343              0.0239360        
 17      0.9800318             -2.3564030        
 18      0.4456254              2.6846180        
 19      0.1064170             -0.0331200        
 20      0.0525705             -2.3662390        
S   1
  1      0.0243568              1.0000000        
P   15
  1   7999.8045000              0.0000880        
  2   1894.4515000              0.0007770        
  3    615.1874800              0.0044040        
  4    234.9274100              0.0186640        
  5     99.2137530              0.0620700        
  6     44.9161400              0.1590770        
  7     21.2497170              0.2969640        
  8     10.3304580              0.3688130        
  9      5.1049799              0.2348290        
 10      2.4406904              0.0493470        
 11      1.1512050              0.0009870        
 12      0.5295556              0.0008040        
 13      0.2211900             -0.0002200        
 14      0.0880000              0.0001020        
 15      0.0350000             -0.0000520        
P   15
  1   7999.8045000             -0.0000290        
  2   1894.4515000             -0.0002600        
  3    615.1874800             -0.0014730        
  4    234.9274100             -0.0063160        
  5     99.2137530             -0.0213380        
  6     44.9161400             -0.0567710        
  7     21.2497170             -0.1097940        
  8     10.3304580             -0.1471670        
  9      5.1049799             -0.0550630        
 10      2.4406904              0.2449580        
 11      1.1512050              0.4722450        
 12      0.5295556              0.3605120        
 13      0.2211900              0.0811280        
 14      0.0880000             -0.0015090        
 15      0.0350000              0.0021630        
P   15
  1   7999.8045000              0.0000090        
  2   1894.4515000              0.0000800        
  3    615.1874800              0.0004630        
  4    234.9274100              0.0019570        
  5     99.2137530              0.0067220        
  6     44.9161400              0.0176420        
  7     21.2497170              0.0349530        
  8     10.3304580              0.0458190        
  9      5.1049799              0.0180770        
 10      2.4406904             -0.0952170        
 11      1.1512050             -0.1732680        
 12      0.5295556             -0.1884220        
 13      0.2211900              0.2407920        
 14      0.0880000              0.7134350        
 15      0.0350000              0.2069500        
P   15
  1   7999.8045000             -0.0002710        
  2   1894.4515000              0.0002410        
  3    615.1874800              0.0009410        
  4    234.9274100              0.0036340        
  5     99.2137530              0.0131300        
  6     44.9161400              0.0343020        
  7     21.2497170              0.0665440        
  8     10.3304580              0.0971630        
  9      5.1049799              0.0278160        
 10      2.4406904             -0.1818780        
 11      1.1512050             -0.5922540        
 12      0.5295556              0.1263500        
 13      0.2211900              1.2972330        
 14      0.0880000             -0.5587720        
 15      0.0350000             -0.5235050        
P   15
  1   7999.8045000             -0.0009270        
  2   1894.4515000              0.0041830        
  3    615.1874800             -0.0141980        
  4    234.9274100              0.0154300        
  5     99.2137530              0.0058240        
  6     44.9161400              0.0468230        
  7     21.2497170              0.0486290        
  8     10.3304580              0.1661510        
  9      5.1049799             -0.0441020        
 10      2.4406904             -0.1960630        
 11      1.1512050             -1.0183170        
 12      0.5295556              1.7213560        
 13      0.2211900             -0.2841240        
 14      0.0880000             -1.3692490        
 15      0.0350000              1.3006420        
P   1
  1      0.0140000              1.0000000        
D   9
  1     89.5692010              0.0018510        
  2     26.5843560              0.0138540        
  3      9.7710323              0.0547720        
  4      3.9619329              0.1487530        
  5      1.6892689              0.2660780        
  6      0.7156706              0.3261010        
  7      0.2938106              0.3127020        
  8      0.1108305              0.2231590        
  9      0.0440000              0.0882190        
D   9
  1     89.5692010             -0.0016830        
  2     26.5843560             -0.0126890        
  3      9.7710323             -0.0503750        
  4      3.9619329             -0.1390290        
  5      1.6892689             -0.2355330        
  6      0.7156706             -0.2436870        
  7      0.2938106              0.0296290        
  8      0.1108305              0.4467590        
  9      0.0440000              0.4336380        
D   9
  1     89.5692010              0.0025370        
  2     26.5843560              0.0182170        
  3      9.7710323              0.0753840        
  4      3.9619329              0.2077710        
  5      1.6892689              0.3021640        
  6      0.7156706              0.0903610        
  7      0.2938106             -0.5952700        
  8      0.1108305             -0.3623870        
  9      0.0440000              0.6102970        
D   1
  1      0.0180000              1.0000000        
F   6
  1      5.4350000              0.0228890        
  2      2.1740000              0.0913440        
  3      0.8700000              0.2721040        
  4      0.3480000              0.4715640        
  5      0.1390000              0.3691430        
  6      0.0560000              0.1058190        
F   6
  1      5.4350000             -0.0683540        
  2      2.1740000             -0.2725160        
  3      0.8700000             -0.5288800        
  4      0.3480000             -0.0623890        
  5      0.1390000              0.5415990        
  6      0.0560000              0.2653750        


name: NASA Ames ANO
description: VQZ3P Valence Quadruple Zeta + Polarization on All Atoms
elt: Ni
data:
NICKEL
S   19
  1 5048010.4000000             0.0000090        
  2 755918.1000000              0.0000670        
  3 172026.2500000              0.0003510        
  4  48724.5720000              0.0014800        
  5  15894.8920000              0.0053610        
  6   5737.4685000              0.0171990        
  7   2237.0513000              0.0491280        
  8    927.0302000              0.1221690        
  9    403.3461500              0.2481120        
 10    182.4281600              0.3582690        
 11     84.5891710              0.2791030        
 12     38.4229310              0.0682840        
 13     18.4687910             -0.0011830        
 14      8.8681903              0.0019140        
 15      3.9188697             -0.0008790        
 16      1.8398525              0.0003770        
 17      0.80466260            -0.0001450        
 18      0.16984630             0.0000510        
 19      0.07936990            -0.0000400        
S   19
  1 5048010.4000000            -0.0000030        
  2 755918.1000000             -0.0000200        
  3 172026.2500000             -0.0001080        
  4  48724.5720000             -0.0004540        
  5  15894.8920000             -0.0016510        
  6   5737.4685000             -0.0053460        
  7   2237.0513000             -0.0156420        
  8    927.0302000             -0.0410010        
  9    403.3461500             -0.0933970        
 10    182.4281600             -0.1704110        
 11     84.5891710             -0.1937530        
 12     38.4229310              0.0436140        
 13     18.4687910              0.5194920        
 14      8.8681903              0.5037270        
 15      3.9188697              0.0912950        
 16      1.8398525             -0.0022250        
 17      0.80466260             0.0022260        
 18      0.16984630            -0.0004290        
 19      0.07936990             0.0003630        
S   19
  1 5048010.4000000             0.0000010        
  2 755918.1000000              0.0000070        
  3 172026.2500000              0.0000380        
  4  48724.5720000              0.0001610        
  5  15894.8920000              0.0005870        
  6   5737.4685000              0.0019040        
  7   2237.0513000              0.0055800        
  8    927.0302000              0.0147530        
  9    403.3461500              0.0340360        
 10    182.4281600              0.0643470        
 11     84.5891710              0.0771120        
 12     38.4229310             -0.0185120        
 13     18.4687910             -0.3044200        
 14      8.8681903             -0.4512560        
 15      3.9188697              0.1484940        
 16      1.8398525              0.7133860        
 17      0.80466260             0.3979360        
 18      0.16984630             0.0231230        
 19      0.07936990            -0.0093000        
S   18
  1 755918.1000000             -0.0000020        
  2 172026.2500000             -0.0000090        
  3  48724.5720000             -0.0000370        
  4  15894.8920000             -0.0001340        
  5   5737.4685000             -0.0004340        
  6   2237.0513000             -0.0012710        
  7    927.0302000             -0.0033680        
  8    403.3461500             -0.0077540        
  9    182.4281600             -0.0147500        
 10     84.5891710             -0.0176110        
 11     38.4229310              0.0039920        
 12     18.4687910              0.0730740        
 13      8.8681903              0.1111670        
 14      3.9188697             -0.0440510        
 15      1.8398525             -0.2324210        
 16      0.80466260            -0.2276380        
 17      0.16984630             0.3114210        
 18      0.07936990             0.5468970        
S   19
  1 5048010.4000000             0.0000240        
  2 755918.1000000             -0.0000130        
  3 172026.2500000             -0.0000120        
  4  48724.5720000             -0.0000740        
  5  15894.8920000             -0.0002370        
  6   5737.4685000             -0.0008530        
  7   2237.0513000             -0.0022550        
  8    927.0302000             -0.0066460        
  9    403.3461500             -0.0135760        
 10    182.4281600             -0.0300980        
 11     84.5891710             -0.0268830        
 12     38.4229310             -0.0085890        
 13     18.4687910              0.1758910        
 14      8.8681903              0.1596780        
 15      3.9188697              0.0250370        
 16      1.8398525             -0.9078600        
 17      0.80466260             0.2655870        
 18      0.16984630             1.6122490        
 19      0.07936990            -0.6112430        
S   19
  1 5048010.4000000            -0.0000330        
  2 755918.1000000              0.0002570        
  3 172026.2500000             -0.0001740        
  4  48724.5720000             -0.0000540        
  5  15894.8920000             -0.0005110        
  6   5737.4685000             -0.0014030        
  7   2237.0513000             -0.0043650        
  8    927.0302000             -0.0114870        
  9    403.3461500             -0.0254460        
 10    182.4281600             -0.0533040        
 11     84.5891710             -0.0517320        
 12     38.4229310             -0.0112730        
 13     18.4687910              0.3198380        
 14      8.8681903              0.3950850        
 15      3.9188697             -0.2547270        
 16      1.8398525             -2.1265650        
 17      0.80466260             2.5157580        
 18      0.16984630            -0.2125990        
 19      0.07936990            -1.7291540        
S   1
  1      0.03470020             1.0000000        
P   14
  1   9148.7958000              0.0001740        
  2   2167.1706000              0.0015270        
  3    703.3856600              0.0085220        
  4    268.1342300              0.0351420        
  5    113.0078100              0.1102710        
  6     50.9133950              0.2517370        
  7     23.8774020              0.3825020        
  8     11.4892370              0.3088820        
  9      5.4368839              0.0871670        
 10      2.5338366              0.0039480        
 11      1.1353088              0.0015980        
 12      0.46789110            -0.0002260        
 13      0.18720000             0.0002170        
 14      0.07490000            -0.0000900        
P   14
  1   9148.7958000             -0.0000620        
  2   2167.1706000             -0.0005460        
  3    703.3856600             -0.0030730        
  4    268.1342300             -0.0128270        
  5    113.0078100             -0.0416140        
  6     50.9133950             -0.0991340        
  7     23.8774020             -0.1613400        
  8     11.4892370             -0.1107930        
  9      5.4368839              0.1894650        
 10      2.5338366              0.4753500        
 11      1.1353088              0.4014970        
 12      0.46789110             0.1055720        
 13      0.18720000            -0.0003780        
 14      0.07490000             0.0027960        
P   14
  1   9148.7958000              0.0000300        
  2   2167.1706000              0.0002030        
  3    703.3856600              0.0013380        
  4    268.1342300              0.0051270        
  5    113.0078100              0.0173880        
  6     50.9133950              0.0409150        
  7     23.8774020              0.0680180        
  8     11.4892370              0.0477330        
  9      5.4368839             -0.1038460        
 10      2.5338366             -0.2716260        
 11      1.1353088             -0.1497540        
 12      0.46789110             0.3179060        
 13      0.18720000             0.6163390        
 14      0.07490000             0.2276480        
P   14
  1   9148.7958000             -0.0006630        
  2   2167.1706000              0.0007960        
  3    703.3856600              0.0017760        
  4    268.1342300              0.0108210        
  5    113.0078100              0.0290620        
  6     50.9133950              0.0769940        
  7     23.8774020              0.1227310        
  8     11.4892370              0.1048100        
  9      5.4368839             -0.2597590        
 10      2.5338366             -0.6896980        
 11      1.1353088              0.3688420        
 12      0.46789110             1.0654880        
 13      0.18720000            -0.5344810        
 14      0.07490000            -0.5011200        
P   14
  1   9148.7958000              0.0012770        
  2   2167.1706000             -0.0065500        
  3    703.3856600              0.0063860        
  4    268.1342300              0.0121480        
  5    113.0078100              0.0396830        
  6     50.9133950              0.1071850        
  7     23.8774020              0.1442300        
  8     11.4892370              0.2590020        
  9      5.4368839             -0.8723900        
 10      2.5338366             -0.5578110        
 11      1.1353088              2.0283200        
 12      0.46789110            -1.2357980        
 13      0.18720000            -0.4765670        
 14      0.07490000             0.8967940        
P   1
  1      0.02990000             1.0000000        
D   10
  1    258.8666600              0.0009460        
  2     77.4960410              0.0081190        
  3     29.5897180              0.0370440        
  4     12.5152750              0.1124360        
  5      5.62446750             0.2296360        
  6      2.55130290             0.3134900        
  7      1.12805970             0.3092810        
  8      0.475373000            0.2445290        
  9      0.182127800            0.1321490        
 10      0.072900000            0.0338880        
D   10
  1    258.8666600             -0.0009600        
  2     77.4960410             -0.0082760        
  3     29.5897180             -0.0380530        
  4     12.5152750             -0.1180440        
  5      5.62446750            -0.2418780        
  6      2.55130290            -0.2574680        
  7      1.12805970            -0.0353770        
  8      0.475373000            0.3306340        
  9      0.182127800            0.4644450        
 10      0.072900000            0.2449120        
D   10
  1    258.8666600             -0.0013470        
  2     77.4960410             -0.0119700        
  3     29.5897180             -0.0550130        
  4     12.5152750             -0.1780890        
  5      5.62446750            -0.3537820        
  6      2.55130290            -0.1546950        
  7      1.12805970             0.5064350        
  8      0.475373000            0.4480440        
  9      0.182127800           -0.3629430        
 10      0.072900000           -0.4751770        
D   10
  1    258.8666600              0.0020000        
  2     77.4960410              0.0167890        
  3     29.5897180              0.0774360        
  4     12.5152750              0.2825310        
  5      5.62446750             0.4798750        
  6      2.55130290            -0.5522080        
  7      1.12805970            -0.6441280        
  8      0.475373000            0.8320280        
  9      0.182127800            0.2247390        
 10      0.072900000           -0.6818500        
F   6
  1     19.7642000              0.0171120        
  2      7.90570000             0.0982030        
  3      3.16220000             0.3373790        
  4      1.26490000             0.4757970        
  5      0.506000000            0.3043240        
  6      0.202400000            0.0953710        
F   6
  1     19.7642000              0.0346430        
  2      7.90570000             0.2515000        
  3      3.16220000             0.5566410        
  4      1.26490000            -0.0328550        
  5      0.506000000           -0.5452100        
  6      0.202400000           -0.2765610        


name: NASA Ames ANO2
description: VQZ3P Valence Quadruple Zeta + Polarization on All Atoms
elt: V
data:
VANADIUM
S   19
  1 3321857.0000000             0.0000090        
  2 497435.6000000              0.0000690        
  3 113202.7000000              0.0003610        
  4  32063.3300000              0.0015220        
  5  10459.6200000              0.0055120        
  6   3775.5060000              0.0176680        
  7   1472.0400000              0.0503830        
  8    609.9331000              0.1248090        
  9    265.2634000              0.2517260        
 10    119.8607000              0.3592260        
 11     55.4489100              0.2741650        
 12     24.9837200              0.0648620        
 13     11.8805600             -0.0011640        
 14      5.66031100             0.0019800        
 15      2.49570300            -0.0009180        
 16      1.17786600             0.0004040        
 17      0.520044000           -0.0001650        
 18      0.115965000            0.0000680        
 19      0.058938000           -0.0000550        
S   19
  1 3321857.0000000            -0.0000030        
  2 497435.6000000             -0.0000200        
  3 113202.7000000             -0.0001080        
  4  32063.3300000             -0.0004540        
  5  10459.6200000             -0.0016500        
  6   3775.5060000             -0.0053400        
  7   1472.0400000             -0.0155930        
  8    609.9331000             -0.0407240        
  9    265.2634000             -0.0920840        
 10    119.8607000             -0.1663640        
 11     55.4489100             -0.1858060        
 12     24.9837200              0.0458580        
 13     11.8805600              0.5080610        
 14      5.66031100             0.5069380        
 15      2.49570300             0.0942810        
 16      1.17786600            -0.0026620        
 17      0.520044000            0.0023620        
 18      0.115965000           -0.0005850        
 19      0.058938000            0.0004730        
S   19
  1 3321857.0000000             0.0000010        
  2 497435.6000000              0.0000070        
  3 113202.7000000              0.0000400        
  4  32063.3300000              0.0001650        
  5  10459.6200000              0.0006020        
  6   3775.5060000              0.0019490        
  7   1472.0400000              0.0057030        
  8    609.9331000              0.0150030        
  9    265.2634000              0.0343340        
 10    119.8607000              0.0640090        
 11     55.4489100              0.0749970        
 12     24.9837200             -0.0196020        
 13     11.8805600             -0.2870220        
 14      5.66031100            -0.4540940        
 15      2.49570300             0.0910300        
 16      1.17786600             0.7111500        
 17      0.520044000            0.4310330        
 18      0.115965000            0.0260820        
 19      0.058938000           -0.0114010        
S   18
  1 497435.6000000             -0.0000020        
  2 113202.7000000             -0.0000090        
  3  32063.3300000             -0.0000390        
  4  10459.6200000             -0.0001420        
  5   3775.5060000             -0.0004620        
  6   1472.0400000             -0.0013500        
  7    609.9331000             -0.0035550        
  8    265.2634000             -0.0081450        
  9    119.8607000             -0.0152360        
 10     55.4489100             -0.0179490        
 11     24.9837200              0.0046600        
 12     11.8805600              0.0722260        
 13      5.66031100             0.1216230        
 14      2.49570300            -0.0337280        
 15      1.17786600            -0.2473110        
 16      0.520044000           -0.2829190        
 17      0.115965000            0.3308530        
 18      0.058938000            0.5871420        
S   19
  1 3321857.0000000            -0.0000190        
  2 497435.6000000              0.0001450        
  3 113202.7000000             -0.0000960        
  4  32063.3300000             -0.0000400        
  5  10459.6200000             -0.0002700        
  6   3775.5060000             -0.0008590        
  7   1472.0400000             -0.0023670        
  8    609.9331000             -0.0068060        
  9    265.2634000             -0.0138760        
 10    119.8607000             -0.0305530        
 11     55.4489100             -0.0260690        
 12     24.9837200             -0.0092330        
 13     11.8805600              0.1779380        
 14      5.66031100             0.1543150        
 15      2.49570300             0.0921260        
 16      1.17786600            -1.0115070        
 17      0.520044000            0.2281550        
 18      0.115965000            2.1204380        
 19      0.058938000           -1.2643960        
S   19
  1 3321857.0000000            -0.0000440        
  2 497435.6000000              0.0002350        
  3 113202.7000000             -0.0007760        
  4  32063.3300000              0.0031230        
  5  10459.6200000             -0.0027770        
  6   3775.5060000             -0.0002450        
  7   1472.0400000             -0.0044220        
  8    609.9331000             -0.0108530        
  9    265.2634000             -0.0222110        
 10    119.8607000             -0.0513090        
 11     55.4489100             -0.0383960        
 12     24.9837200             -0.0274690        
 13     11.8805600              0.3348540        
 14      5.66031100             0.2493860        
 15      2.49570300             0.0638120        
 16      1.17786600            -2.4167250        
 17      0.520044000            2.6591510        
 18      0.115965000           -0.1076490        
 19      0.058938000           -2.1632850        
S   1
  1      0.026946000            1.0000000        
P   14
  1   5777.3770000              0.0001840        
  2   1368.6740000              0.0016110        
  3    444.1233000              0.0089330        
  4    169.0991000              0.0364080        
  5     71.1019100              0.1125600        
  6     31.9031100              0.2523880        
  7     14.8510900              0.3804890        
  8      7.08522700             0.3104780        
  9      3.32442200             0.0880800        
 10      1.54116400             0.0031980        
 11      0.690520000            0.0013680        
 12      0.285424000           -0.0003880        
 13      0.114200000            0.0002150        
 14      0.045700000           -0.0001030        
P   14
  1   5777.3770000             -0.0000630        
  2   1368.6740000             -0.0005500        
  3    444.1233000             -0.0030750        
  4    169.0991000             -0.0126800        
  5     71.1019100             -0.0404390        
  6     31.9031100             -0.0941680        
  7     14.8510900             -0.1514260        
  8      7.08522700            -0.1125800        
  9      3.32442200             0.1678610        
 10      1.54116400             0.4695080        
 11      0.690520000            0.4201240        
 12      0.285424000            0.1090000        
 13      0.114200000           -0.0012830        
 14      0.045700000            0.0029660        
P   14
  1   5777.3770000              0.0000190        
  2   1368.6740000              0.0001660        
  3    444.1233000              0.0009150        
  4    169.0991000              0.0038240        
  5     71.1019100              0.0120620        
  6     31.9031100              0.0286260        
  7     14.8510900              0.0453740        
  8      7.08522700             0.0357370        
  9      3.32442200            -0.0632290        
 10      1.54116400            -0.1621300        
 11      0.690520000           -0.2105220        
 12      0.285424000            0.1306620        
 13      0.114200000            0.7304420        
 14      0.045700000            0.2787350        
P   14
  1   5777.3770000             -0.0005020        
  2   1368.6740000              0.0005280        
  3    444.1233000              0.0018630        
  4    169.0991000              0.0074810        
  5     71.1019100              0.0254270        
  6     31.9031100              0.0547060        
  7     14.8510900              0.1035950        
  8      7.08522700             0.0621770        
  9      3.32442200            -0.1166360        
 10      1.54116400            -0.5464790        
 11      0.690520000           -0.1494390        
 12      0.285424000            1.3803190        
 13      0.114200000           -0.3515930        
 14      0.045700000           -0.6486200        
P   14
  1   5777.3770000             -0.0018770        
  2   1368.6740000              0.0085150        
  3    444.1233000             -0.0288330        
  4    169.0991000              0.0326910        
  5     71.1019100              0.0171180        
  6     31.9031100              0.0850580        
  7     14.8510900              0.1176090        
  8      7.08522700             0.1477620        
  9      3.32442200            -0.2850060        
 10      1.54116400            -1.1883840        
 11      0.690520000            1.8230990        
 12      0.285424000           -0.2143400        
 13      0.114200000           -1.4357020        
 14      0.045700000            1.3682950        
P   1
  1      0.018300000            1.0000000        
D   10
  1    155.8527000              0.0008550        
  2     46.4977100              0.0071660        
  3     17.6299900              0.0316240        
  4      7.35467200             0.0958440        
  5      3.27405100             0.2061640        
  6      1.48248200             0.3042010        
  7      0.661351000            0.3253210        
  8      0.284826000            0.2666120        
  9      0.112899000            0.1358370        
 10      0.045160000            0.0212920        
D   10
  1    155.8527000             -0.0009320        
  2     46.4977100             -0.0074970        
  3     17.6299900             -0.0340170        
  4      7.35467200            -0.1044940        
  5      3.27405100            -0.2226390        
  6      1.48248200            -0.2784230        
  7      0.661351000           -0.1178410        
  8      0.284826000            0.3542000        
  9      0.112899000            0.5302290        
 10      0.045160000            0.1566310        
D   10
  1    155.8527000              0.0014700        
  2     46.4977100              0.0116580        
  3     17.6299900              0.0542500        
  4      7.35467200             0.1709480        
  5      3.27405100             0.3434530        
  6      1.48248200             0.2393790        
  7      0.661351000           -0.5150960        
  8      0.284826000           -0.5469710        
  9      0.112899000            0.5516150        
 10      0.045160000            0.3451870        
D   10
  1    155.8527000             -0.0105810        
  2     46.4977100              0.0191830        
  3     17.6299900              0.0775000        
  4      7.35467200             0.2167100        
  5      3.27405100             0.4686440        
  6      1.48248200            -0.3055970        
  7      0.661351000           -0.9422950        
  8      0.284826000            1.0558660        
  9      0.112899000            0.0755570        
 10      0.045160000           -0.6885400        
D   10
  1    155.8527000             -0.0254710        
  2     46.4977100              0.1124650        
  3     17.6299900             -0.1882720        
  4      7.35467200            -0.2619330        
  5      3.27405100            -0.5000830        
  6      1.48248200             1.3735240        
  7      0.661351000           -0.7524420        
  8      0.284826000           -0.5906400        
  9      0.112899000            1.3961510        
 10      0.045160000           -1.0661100        
F   6
  1      7.32420000             0.0261020        
  2      2.92970000             0.1169100        
  3      1.17190000             0.3217760        
  4      0.468800000            0.4782430        
  5      0.187500000            0.3204900        
  6      0.075000000            0.0645420        
F   6
  1      7.32420000            -0.0715170        
  2      2.92970000            -0.2948810        
  3      1.17190000            -0.5374860        
  4      0.468800000            0.0630260        
  5      0.187500000            0.5924440        
  6      0.075000000            0.1736520        
F   6
  1      7.32420000            -0.1519690        
  2      2.92970000            -0.5703090        
  3      1.17190000            -0.0422130        
  4      0.468800000            0.8695270        
  5      0.187500000           -0.4745790        
  6      0.075000000           -0.3905660        
G   4
  1      3.51160000             0.1037540        
  2      1.40630000             0.2939900        
  3      0.562500000            0.5433640        
  4      0.225000000            0.3550200        
G   4
  1      3.51160000            -0.3740200        
  2      1.40630000            -0.5442250        
  3      0.562500000            0.0610640        
  4      0.225000000            0.6522650        


name: NASA Ames cc-pCV5Z
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: Ti
data:
TITANIUM
S   17
  1 5309148.1000000             0.0000040        
  2 794951.6500000              0.0000340        
  3 180907.5600000              0.0001800        
  4  51241.9330000              0.0007590        
  5  16717.4490000              0.0027570        
  6   6035.2659000              0.0089250        
  7   2353.8571000              0.0260620        
  8    976.1464600              0.0681900        
  9    425.4356300              0.1543490        
 10    193.0467700              0.2802820        
 11     90.4393690              0.3484000        
 12     43.0207130              0.2217050        
 13     19.1905550              0.0400180        
 14      9.4257160             -0.0021380        
 15      4.6052430              0.0017220        
 16      2.0378340             -0.0008020        
 17      0.9800320              0.0003560        
S   17
  1 5309148.1000000            -0.0000010        
  2 794951.6500000             -0.0000100        
  3 180907.5600000             -0.0000530        
  4  51241.9330000             -0.0002240        
  5  16717.4490000             -0.0008180        
  6   6035.2659000             -0.0026590        
  7   2353.8571000             -0.0078790        
  8    976.1464600             -0.0212220        
  9    425.4356300             -0.0514220        
 10    193.0467700             -0.1067020        
 11     90.4393690             -0.1746860        
 12     43.0207130             -0.1560410        
 13     19.1905550              0.1293230        
 14      9.4257160              0.5384640        
 15      4.6052430              0.4357080        
 16      2.0378340              0.0681170        
 17      0.9800320             -0.0024360        
S   16
  1 794951.6500000              0.0000040        
  2 180907.5600000              0.0000180        
  3  51241.9330000              0.0000810        
  4  16717.4490000              0.0002890        
  5   6035.2659000              0.0009510        
  6   2353.8571000              0.0028120        
  7    976.1464600              0.0076020        
  8    425.4356300              0.0185920        
  9    193.0467700              0.0390850        
 10     90.4393690              0.0664980        
 11     43.0207130              0.0620460        
 12     19.1905550             -0.0562490        
 13      9.4257160             -0.3180890        
 14      4.6052430             -0.4058270        
 15      2.0378340              0.1704320        
 16      0.9800320              0.6975960        
S   1
  1      0.4456250              1.0000000        
S   1
  1      0.1064170              1.0000000        
S   1
  1      0.0525710              1.0000000        
S   1
  1      0.0243570              1.0000000        
P   10
  1   7999.8045000              0.0000880        
  2   1894.4515000              0.0007770        
  3    615.1874800              0.0044040        
  4    234.9274100              0.0186640        
  5     99.2137530              0.0620720        
  6     44.9161400              0.1590770        
  7     21.2497170              0.2969700        
  8     10.3304580              0.3688010        
  9      5.1049800              0.2348260        
 10      2.4406900              0.0493560        
P   10
  1   7999.8045000             -0.0000290        
  2   1894.4515000             -0.0002610        
  3    615.1874800             -0.0014820        
  4    234.9274100             -0.0063570        
  5     99.2137530             -0.0214770        
  6     44.9161400             -0.0571340        
  7     21.2497170             -0.1104660        
  8     10.3304580             -0.1481470        
  9      5.1049800             -0.0554260        
 10      2.4406900              0.2455620        
P   1
  1      1.1512050              1.0000000        
P   1
  1      0.5295560              1.0000000        
P   1
  1      0.2211900              1.0000000        
P   1
  1      0.0880000              1.0000000        
P   1
  1      0.0350000              1.0000000        
P   1
  1      0.0140000              1.0000000        
D   4
  1     89.5692010              0.0019660        
  2     26.5843560              0.0147190        
  3      9.7710320              0.0582080        
  4      3.9619330              0.1581680        
D   1
  1      1.6892690              1.0000000        
D   1
  1      0.7156710              1.0000000        
D   1
  1      0.2938110              1.0000000        
D   1
  1      0.1108310              1.0000000        
D   1
  1      0.0440000              1.0000000        
F   1
  1      5.5110200              1.0000000        
F   1
  1      2.4192360              1.0000000        
F   1
  1      1.0620000              1.0000000        
F   1
  1      0.4661980              1.0000000        
F   1
  1      0.2046530              1.0000000        
G   1
  1      4.4216370              1.0000000        
G   1
  1      2.1065440              1.0000000        
G   1
  1      1.0035940              1.0000000        
G   1
  1      0.4781300              1.0000000        
H   1
  1      4.3050000              1.0000000        
H   1
  1      2.0500000              1.0000000        
H   1
  1      0.9761900              1.0000000        
I   1
  1      0.7400000              1.0000000        


name: NASA Ames cc-pCVQZ
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: Ti
data:
TITANIUM
S   17
  1 5309148.1000000             0.0000040        
  2 794951.6500000              0.0000340        
  3 180907.5600000              0.0001800        
  4  51241.9330000              0.0007590        
  5  16717.4490000              0.0027570        
  6   6035.2659000              0.0089250        
  7   2353.8571000              0.0260620        
  8    976.1464600              0.0681900        
  9    425.4356300              0.1543490        
 10    193.0467700              0.2802820        
 11     90.4393690              0.3484000        
 12     43.0207130              0.2217050        
 13     19.1905550              0.0400180        
 14      9.4257160             -0.0021380        
 15      4.6052430              0.0017220        
 16      2.0378340             -0.0008020        
 17      0.9800320              0.0003560        
S   17
  1 5309148.1000000            -0.0000010        
  2 794951.6500000             -0.0000100        
  3 180907.5600000             -0.0000530        
  4  51241.9330000             -0.0002240        
  5  16717.4490000             -0.0008180        
  6   6035.2659000             -0.0026590        
  7   2353.8571000             -0.0078790        
  8    976.1464600             -0.0212220        
  9    425.4356300             -0.0514220        
 10    193.0467700             -0.1067020        
 11     90.4393690             -0.1746860        
 12     43.0207130             -0.1560410        
 13     19.1905550              0.1293230        
 14      9.4257160              0.5384640        
 15      4.6052430              0.4357080        
 16      2.0378340              0.0681170        
 17      0.9800320             -0.0024360        
S   16
  1 794951.6500000              0.0000040        
  2 180907.5600000              0.0000180        
  3  51241.9330000              0.0000810        
  4  16717.4490000              0.0002890        
  5   6035.2659000              0.0009510        
  6   2353.8571000              0.0028120        
  7    976.1464600              0.0076020        
  8    425.4356300              0.0185920        
  9    193.0467700              0.0390850        
 10     90.4393690              0.0664980        
 11     43.0207130              0.0620460        
 12     19.1905550             -0.0562490        
 13      9.4257160             -0.3180890        
 14      4.6052430             -0.4058270        
 15      2.0378340              0.1704320        
 16      0.9800320              0.6975960        
S   1
  1      0.4456250              1.0000000        
S   1
  1      0.1064170              1.0000000        
S   1
  1      0.0525710              1.0000000        
S   1
  1      0.0243570              1.0000000        
P   10
  1   7999.8045000              0.0000880        
  2   1894.4515000              0.0007770        
  3    615.1874800              0.0044040        
  4    234.9274100              0.0186640        
  5     99.2137530              0.0620720        
  6     44.9161400              0.1590770        
  7     21.2497170              0.2969700        
  8     10.3304580              0.3688010        
  9      5.1049800              0.2348260        
 10      2.4406900              0.0493560        
P   10
  1   7999.8045000             -0.0000290        
  2   1894.4515000             -0.0002610        
  3    615.1874800             -0.0014820        
  4    234.9274100             -0.0063570        
  5     99.2137530             -0.0214770        
  6     44.9161400             -0.0571340        
  7     21.2497170             -0.1104660        
  8     10.3304580             -0.1481470        
  9      5.1049800             -0.0554260        
 10      2.4406900              0.2455620        
P   1
  1      1.1512050              1.0000000        
P   1
  1      0.5295560              1.0000000        
P   1
  1      0.2211900              1.0000000        
P   1
  1      0.0880000              1.0000000        
P   1
  1      0.0350000              1.0000000        
P   1
  1      0.0140000              1.0000000        
D   4
  1     89.5692010              0.0019660        
  2     26.5843560              0.0147190        
  3      9.7710320              0.0582080        
  4      3.9619330              0.1581680        
D   1
  1      1.6892690              1.0000000        
D   1
  1      0.7156710              1.0000000        
D   1
  1      0.2938110              1.0000000        
D   1
  1      0.1108310              1.0000000        
D   1
  1      0.0440000              1.0000000        
F   1
  1      3.5544460              1.0000000        
F   1
  1      1.4872160              1.0000000        
F   1
  1      0.6222660              1.0000000        
F   1
  1      0.2603620              1.0000000        
G   1
  1      3.4465200              1.0000000        
G   1
  1      1.4920000              1.0000000        
G   1
  1      0.6458870              1.0000000        
H   1
  1      0.7500000              1.0000000        


name: NASA Ames cc-pCVTZ
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: Ti
data:
TITANIUM
S   17
  1 5309148.1000000             0.0000040        
  2 794951.6500000              0.0000340        
  3 180907.5600000              0.0001800        
  4  51241.9330000              0.0007590        
  5  16717.4490000              0.0027570        
  6   6035.2659000              0.0089250        
  7   2353.8571000              0.0260620        
  8    976.1464600              0.0681900        
  9    425.4356300              0.1543490        
 10    193.0467700              0.2802820        
 11     90.4393690              0.3484000        
 12     43.0207130              0.2217050        
 13     19.1905550              0.0400180        
 14      9.4257160             -0.0021380        
 15      4.6052430              0.0017220        
 16      2.0378340             -0.0008020        
 17      0.9800320              0.0003560        
S   17
  1 5309148.1000000            -0.0000010        
  2 794951.6500000             -0.0000100        
  3 180907.5600000             -0.0000530        
  4  51241.9330000             -0.0002240        
  5  16717.4490000             -0.0008180        
  6   6035.2659000             -0.0026590        
  7   2353.8571000             -0.0078790        
  8    976.1464600             -0.0212220        
  9    425.4356300             -0.0514220        
 10    193.0467700             -0.1067020        
 11     90.4393690             -0.1746860        
 12     43.0207130             -0.1560410        
 13     19.1905550              0.1293230        
 14      9.4257160              0.5384640        
 15      4.6052430              0.4357080        
 16      2.0378340              0.0681170        
 17      0.9800320             -0.0024360        
S   16
  1 794951.6500000              0.0000040        
  2 180907.5600000              0.0000180        
  3  51241.9330000              0.0000810        
  4  16717.4490000              0.0002890        
  5   6035.2659000              0.0009510        
  6   2353.8571000              0.0028120        
  7    976.1464600              0.0076020        
  8    425.4356300              0.0185920        
  9    193.0467700              0.0390850        
 10     90.4393690              0.0664980        
 11     43.0207130              0.0620460        
 12     19.1905550             -0.0562490        
 13      9.4257160             -0.3180890        
 14      4.6052430             -0.4058270        
 15      2.0378340              0.1704320        
 16      0.9800320              0.6975960        
S   1
  1      0.4456250              1.0000000        
S   1
  1      0.1064170              1.0000000        
S   1
  1      0.0525710              1.0000000        
S   1
  1      0.0243570              1.0000000        
P   10
  1   7999.8045000              0.0000880        
  2   1894.4515000              0.0007770        
  3    615.1874800              0.0044040        
  4    234.9274100              0.0186640        
  5     99.2137530              0.0620720        
  6     44.9161400              0.1590770        
  7     21.2497170              0.2969700        
  8     10.3304580              0.3688010        
  9      5.1049800              0.2348260        
 10      2.4406900              0.0493560        
P   10
  1   7999.8045000             -0.0000290        
  2   1894.4515000             -0.0002610        
  3    615.1874800             -0.0014820        
  4    234.9274100             -0.0063570        
  5     99.2137530             -0.0214770        
  6     44.9161400             -0.0571340        
  7     21.2497170             -0.1104660        
  8     10.3304580             -0.1481470        
  9      5.1049800             -0.0554260        
 10      2.4406900              0.2455620        
P   1
  1      1.1512050              1.0000000        
P   1
  1      0.5295560              1.0000000        
P   1
  1      0.2211900              1.0000000        
P   1
  1      0.0880000              1.0000000        
P   1
  1      0.0350000              1.0000000        
P   1
  1      0.0140000              1.0000000        
D   4
  1     89.5692010              0.0019660        
  2     26.5843560              0.0147190        
  3      9.7710320              0.0582080        
  4      3.9619330              0.1581680        
D   1
  1      1.6892690              1.0000000        
D   1
  1      0.7156710              1.0000000        
D   1
  1      0.2938110              1.0000000        
D   1
  1      0.1108310              1.0000000        
D   1
  1      0.0440000              1.0000000        
F   1
  1      2.7440000              1.0000000        
F   1
  1      0.9800000              1.0000000        
F   1
  1      0.3500000              1.0000000        
G   1
  1      0.6300000              1.0000000        


name: NASA Ames cc-pV5Z
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: Ti
data:
TITANIUM
S   17
  1 5309148.1000000             0.0000040        
  2 794951.6500000              0.0000340        
  3 180907.5600000              0.0001800        
  4  51241.9330000              0.0007590        
  5  16717.4490000              0.0027570        
  6   6035.2659000              0.0089250        
  7   2353.8571000              0.0260620        
  8    976.1464600              0.0681900        
  9    425.4356300              0.1543490        
 10    193.0467700              0.2802820        
 11     90.4393690              0.3484000        
 12     43.0207130              0.2217050        
 13     19.1905550              0.0400180        
 14      9.4257160             -0.0021380        
 15      4.6052430              0.0017220        
 16      2.0378340             -0.0008020        
 17      0.9800320              0.0003560        
S   17
  1 5309148.1000000            -0.0000010        
  2 794951.6500000             -0.0000100        
  3 180907.5600000             -0.0000530        
  4  51241.9330000             -0.0002240        
  5  16717.4490000             -0.0008180        
  6   6035.2659000             -0.0026590        
  7   2353.8571000             -0.0078790        
  8    976.1464600             -0.0212220        
  9    425.4356300             -0.0514220        
 10    193.0467700             -0.1067020        
 11     90.4393690             -0.1746860        
 12     43.0207130             -0.1560410        
 13     19.1905550              0.1293230        
 14      9.4257160              0.5384640        
 15      4.6052430              0.4357080        
 16      2.0378340              0.0681170        
 17      0.9800320             -0.0024360        
S   16
  1 794951.6500000              0.0000040        
  2 180907.5600000              0.0000180        
  3  51241.9330000              0.0000810        
  4  16717.4490000              0.0002890        
  5   6035.2659000              0.0009510        
  6   2353.8571000              0.0028120        
  7    976.1464600              0.0076020        
  8    425.4356300              0.0185920        
  9    193.0467700              0.0390850        
 10     90.4393690              0.0664980        
 11     43.0207130              0.0620460        
 12     19.1905550             -0.0562490        
 13      9.4257160             -0.3180890        
 14      4.6052430             -0.4058270        
 15      2.0378340              0.1704320        
 16      0.9800320              0.6975960        
S   1
  1      0.4456250              1.0000000        
S   1
  1      0.1064170              1.0000000        
S   1
  1      0.0525710              1.0000000        
S   1
  1      0.0243570              1.0000000        
P   10
  1   7999.8045000              0.0000880        
  2   1894.4515000              0.0007770        
  3    615.1874800              0.0044040        
  4    234.9274100              0.0186640        
  5     99.2137530              0.0620720        
  6     44.9161400              0.1590770        
  7     21.2497170              0.2969700        
  8     10.3304580              0.3688010        
  9      5.1049800              0.2348260        
 10      2.4406900              0.0493560        
P   10
  1   7999.8045000             -0.0000290        
  2   1894.4515000             -0.0002610        
  3    615.1874800             -0.0014820        
  4    234.9274100             -0.0063570        
  5     99.2137530             -0.0214770        
  6     44.9161400             -0.0571340        
  7     21.2497170             -0.1104660        
  8     10.3304580             -0.1481470        
  9      5.1049800             -0.0554260        
 10      2.4406900              0.2455620        
P   1
  1      1.1512050              1.0000000        
P   1
  1      0.5295560              1.0000000        
P   1
  1      0.2211900              1.0000000        
P   1
  1      0.0880000              1.0000000        
P   1
  1      0.0350000              1.0000000        
P   1
  1      0.0140000              1.0000000        
D   4
  1     89.5692010              0.0019660        
  2     26.5843560              0.0147190        
  3      9.7710320              0.0582080        
  4      3.9619330              0.1581680        
D   1
  1      1.6892690              1.0000000        
D   1
  1      0.7156710              1.0000000        
D   1
  1      0.2938110              1.0000000        
D   1
  1      0.1108310              1.0000000        
D   1
  1      0.0440000              1.0000000        
F   1
  1      3.6826500              1.0000000        
F   1
  1      1.2324800              1.0000000        
F   1
  1      0.4124770              1.0000000        
F   1
  1      0.1380440              1.0000000        
G   1
  1      2.5336800              1.0000000        
G   1
  1      0.8160000              1.0000000        
G   1
  1      0.2628020              1.0000000        
H   1
  1      1.8434270              1.0000000        
H   1
  1      0.4988980              1.0000000        
I   1
  1      0.7400000              1.0000000        


name: NASA Ames cc-pV5Z
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: Fe
data:
IRON
S   18
  1 4316265.3000000             0.0000090        
  2 646342.4200000              0.0000670        
  3 147089.7300000              0.0003540        
  4  41661.5220000              0.0014940        
  5  13590.7650000              0.0054110        
  6   4905.7500000              0.0173530        
  7   1912.7458000              0.0495400        
  8    792.6043400              0.1230340        
  9    344.8064800              0.2492910        
 10    155.8998900              0.3585690        
 11     72.2309080              0.2774790        
 12     32.7250650              0.0672010        
 13     15.6676220             -0.0011550        
 14      7.5034830              0.0019310        
 15      3.3122230             -0.0008930        
 16      1.5584710              0.0003850        
 17      0.6839140             -0.0001510        
 18      0.1467570              0.0000560        
S   18
  1 4316265.3000000            -0.0000030        
  2 646342.4200000             -0.0000200        
  3 147089.7300000             -0.0001080        
  4  41661.5220000             -0.0004540        
  5  13590.7650000             -0.0016500        
  6   4905.7500000             -0.0053420        
  7   1912.7458000             -0.0156190        
  8    792.6043400             -0.0408880        
  9    344.8064800             -0.0929070        
 10    155.8998900             -0.1689370        
 11     72.2309080             -0.1909910        
 12     32.7250650              0.0439680        
 13     15.6676220              0.5154530        
 14      7.5034830              0.5051630        
 15      3.3122230              0.0923750        
 16      1.5584710             -0.0024030        
 17      0.6839140              0.0022460        
 18      0.1467570             -0.0004940        
S   18
  1 4316265.3000000             0.0000010        
  2 646342.4200000              0.0000080        
  3 147089.7300000              0.0000400        
  4  41661.5220000              0.0001680        
  5  13590.7650000              0.0006110        
  6   4905.7500000              0.0019840        
  7   1912.7458000              0.0058060        
  8    792.6043400              0.0153280        
  9    344.8064800              0.0352100        
 10    155.8998900              0.0662250        
 11     72.2309080              0.0784520        
 12     32.7250650             -0.0187860        
 13     15.6676220             -0.3051870        
 14      7.5034830             -0.4593380        
 15      3.3122230              0.1270580        
 16      1.5584710              0.7292350        
 17      0.6839140              0.3992630        
 18      0.1467570              0.0164900        
S   17
  1 646342.4200000              0.0000020        
  2 147089.7300000              0.0000090        
  3  41661.5220000              0.0000360        
  4  13590.7650000              0.0001310        
  5   4905.7500000              0.0004250        
  6   1912.7458000              0.0012420        
  7    792.6043400              0.0032840        
  8    344.8064800              0.0075530        
  9    155.8998900              0.0142720        
 10     72.2309080              0.0169960        
 11     32.7250650             -0.0040380        
 12     15.6676220             -0.0696300        
 13      7.5034830             -0.1100960        
 14      3.3122230              0.0384720        
 15      1.5584710              0.2262400        
 16      0.6839140              0.2506610        
 17      0.1467570             -0.3198270        
S   1
  1      0.0705830              1.0000000        
S   1
  1      0.0314490              1.0000000        
P   9
  1   7721.4886000              0.0001760        
  2   1829.1258000              0.0015510        
  3    593.6279500              0.0086390        
  4    226.2053600              0.0354820        
  5     95.2614540              0.1108050        
  6     42.8592030              0.2515360        
  7     20.0497130              0.3816690        
  8      9.6208850              0.3099100        
  9      4.5413710              0.0878640        
P   9
  1   7721.4886000             -0.0000640        
  2   1829.1258000             -0.0005620        
  3    593.6279500             -0.0031560        
  4    226.2053600             -0.0131090        
  5     95.2614540             -0.0422830        
  6     42.8592030             -0.0998510        
  7     20.0497130             -0.1620460        
  8      9.6208850             -0.1149630        
  9      4.5413710              0.1817420        
P   1
  1      2.1135000              1.0000000        
P   1
  1      0.9472010              1.0000000        
P   1
  1      0.3912430              1.0000000        
P   1
  1      0.1564800              1.0000000        
P   1
  1      0.0625920              1.0000000        
P   1
  1      0.0250370              1.0000000        
D   5
  1    217.3688300              0.0009450        
  2     64.9997550              0.0080600        
  3     24.7731370              0.0365040        
  4     10.4361400              0.1110340        
  5      4.6796530              0.2325450        
D   1
  1      2.1256230              1.0000000        
D   1
  1      0.9452420              1.0000000        
D   1
  1      0.4026850              1.0000000        
D   1
  1      0.1566510              1.0000000        
D   1
  1      0.0626600              1.0000000        
F   1
  1      7.4759170              1.0000000        
F   1
  1      2.5690440              1.0000000        
F   1
  1      0.8828330              1.0000000        
F   1
  1      0.3033790              1.0000000        
G   1
  1      5.7133720              1.0000000        
G   1
  1      1.9070000              1.0000000        
G   1
  1      0.6365150              1.0000000        
H   1
  1      4.3197450              1.0000000        
H   1
  1      1.3190060              1.0000000        
I   1
  1      3.2100000              1.0000000        


name: NASA Ames cc-pVQZ
description: VQZ3P Valence Quadruple Zeta + Polarization on All Atoms
elt: Ti
data:
TITANIUM
S   17
  1 5309148.1000000             0.0000040        
  2 794951.6500000              0.0000340        
  3 180907.5600000              0.0001800        
  4  51241.9330000              0.0007590        
  5  16717.4490000              0.0027570        
  6   6035.2659000              0.0089250        
  7   2353.8571000              0.0260620        
  8    976.1464600              0.0681900        
  9    425.4356300              0.1543490        
 10    193.0467700              0.2802820        
 11     90.4393690              0.3484000        
 12     43.0207130              0.2217050        
 13     19.1905550              0.0400180        
 14      9.4257160             -0.0021380        
 15      4.6052430              0.0017220        
 16      2.0378340             -0.0008020        
 17      0.9800320              0.0003560        
S   17
  1 5309148.1000000            -0.0000010        
  2 794951.6500000             -0.0000100        
  3 180907.5600000             -0.0000530        
  4  51241.9330000             -0.0002240        
  5  16717.4490000             -0.0008180        
  6   6035.2659000             -0.0026590        
  7   2353.8571000             -0.0078790        
  8    976.1464600             -0.0212220        
  9    425.4356300             -0.0514220        
 10    193.0467700             -0.1067020        
 11     90.4393690             -0.1746860        
 12     43.0207130             -0.1560410        
 13     19.1905550              0.1293230        
 14      9.4257160              0.5384640        
 15      4.6052430              0.4357080        
 16      2.0378340              0.0681170        
 17      0.9800320             -0.0024360        
S   16
  1 794951.6500000              0.0000040        
  2 180907.5600000              0.0000180        
  3  51241.9330000              0.0000810        
  4  16717.4490000              0.0002890        
  5   6035.2659000              0.0009510        
  6   2353.8571000              0.0028120        
  7    976.1464600              0.0076020        
  8    425.4356300              0.0185920        
  9    193.0467700              0.0390850        
 10     90.4393690              0.0664980        
 11     43.0207130              0.0620460        
 12     19.1905550             -0.0562490        
 13      9.4257160             -0.3180890        
 14      4.6052430             -0.4058270        
 15      2.0378340              0.1704320        
 16      0.9800320              0.6975960        
S   1
  1      0.4456250              1.0000000        
S   1
  1      0.1064170              1.0000000        
S   1
  1      0.0525710              1.0000000        
S   1
  1      0.0243570              1.0000000        
P   10
  1   7999.8045000              0.0000880        
  2   1894.4515000              0.0007770        
  3    615.1874800              0.0044040        
  4    234.9274100              0.0186640        
  5     99.2137530              0.0620720        
  6     44.9161400              0.1590770        
  7     21.2497170              0.2969700        
  8     10.3304580              0.3688010        
  9      5.1049800              0.2348260        
 10      2.4406900              0.0493560        
P   10
  1   7999.8045000             -0.0000290        
  2   1894.4515000             -0.0002610        
  3    615.1874800             -0.0014820        
  4    234.9274100             -0.0063570        
  5     99.2137530             -0.0214770        
  6     44.9161400             -0.0571340        
  7     21.2497170             -0.1104660        
  8     10.3304580             -0.1481470        
  9      5.1049800             -0.0554260        
 10      2.4406900              0.2455620        
P   1
  1      1.1512050              1.0000000        
P   1
  1      0.5295560              1.0000000        
P   1
  1      0.2211900              1.0000000        
P   1
  1      0.0880000              1.0000000        
P   1
  1      0.0350000              1.0000000        
P   1
  1      0.0140000              1.0000000        
D   4
  1     89.5692010              0.0019660        
  2     26.5843560              0.0147190        
  3      9.7710320              0.0582080        
  4      3.9619330              0.1581680        
D   1
  1      1.6892690              1.0000000        
D   1
  1      0.7156710              1.0000000        
D   1
  1      0.2938110              1.0000000        
D   1
  1      0.1108310              1.0000000        
D   1
  1      0.0440000              1.0000000        
F   1
  1      2.3450000              1.0000000        
F   1
  1      0.6700000              1.0000000        
F   1
  1      0.1914290              1.0000000        
G   1
  1      1.5354000              1.0000000        
G   1
  1      0.3911850              1.0000000        
H   1
  1      0.7500000              1.0000000        


name: NASA Ames cc-pVQZ
description: VQZ3P Valence Quadruple Zeta + Polarization on All Atoms
elt: Fe
data:
IRON
S   18
  1 4316265.3000000             0.0000090        
  2 646342.4200000              0.0000670        
  3 147089.7300000              0.0003540        
  4  41661.5220000              0.0014940        
  5  13590.7650000              0.0054110        
  6   4905.7500000              0.0173530        
  7   1912.7458000              0.0495400        
  8    792.6043400              0.1230340        
  9    344.8064800              0.2492910        
 10    155.8998900              0.3585690        
 11     72.2309080              0.2774790        
 12     32.7250650              0.0672010        
 13     15.6676220             -0.0011550        
 14      7.5034830              0.0019310        
 15      3.3122230             -0.0008930        
 16      1.5584710              0.0003850        
 17      0.6839140             -0.0001510        
 18      0.1467570              0.0000560        
S   18
  1 4316265.3000000            -0.0000030        
  2 646342.4200000             -0.0000200        
  3 147089.7300000             -0.0001080        
  4  41661.5220000             -0.0004540        
  5  13590.7650000             -0.0016500        
  6   4905.7500000             -0.0053420        
  7   1912.7458000             -0.0156190        
  8    792.6043400             -0.0408880        
  9    344.8064800             -0.0929070        
 10    155.8998900             -0.1689370        
 11     72.2309080             -0.1909910        
 12     32.7250650              0.0439680        
 13     15.6676220              0.5154530        
 14      7.5034830              0.5051630        
 15      3.3122230              0.0923750        
 16      1.5584710             -0.0024030        
 17      0.6839140              0.0022460        
 18      0.1467570             -0.0004940        
S   18
  1 4316265.3000000             0.0000010        
  2 646342.4200000              0.0000080        
  3 147089.7300000              0.0000400        
  4  41661.5220000              0.0001680        
  5  13590.7650000              0.0006110        
  6   4905.7500000              0.0019840        
  7   1912.7458000              0.0058060        
  8    792.6043400              0.0153280        
  9    344.8064800              0.0352100        
 10    155.8998900              0.0662250        
 11     72.2309080              0.0784520        
 12     32.7250650             -0.0187860        
 13     15.6676220             -0.3051870        
 14      7.5034830             -0.4593380        
 15      3.3122230              0.1270580        
 16      1.5584710              0.7292350        
 17      0.6839140              0.3992630        
 18      0.1467570              0.0164900        
S   17
  1 646342.4200000              0.0000020        
  2 147089.7300000              0.0000090        
  3  41661.5220000              0.0000360        
  4  13590.7650000              0.0001310        
  5   4905.7500000              0.0004250        
  6   1912.7458000              0.0012420        
  7    792.6043400              0.0032840        
  8    344.8064800              0.0075530        
  9    155.8998900              0.0142720        
 10     72.2309080              0.0169960        
 11     32.7250650             -0.0040380        
 12     15.6676220             -0.0696300        
 13      7.5034830             -0.1100960        
 14      3.3122230              0.0384720        
 15      1.5584710              0.2262400        
 16      0.6839140              0.2506610        
 17      0.1467570             -0.3198270        
S   1
  1      0.0705830              1.0000000        
S   1
  1      0.0314490              1.0000000        
P   9
  1   7721.4886000              0.0001760        
  2   1829.1258000              0.0015510        
  3    593.6279500              0.0086390        
  4    226.2053600              0.0354820        
  5     95.2614540              0.1108050        
  6     42.8592030              0.2515360        
  7     20.0497130              0.3816690        
  8      9.6208850              0.3099100        
  9      4.5413710              0.0878640        
P   9
  1   7721.4886000             -0.0000640        
  2   1829.1258000             -0.0005620        
  3    593.6279500             -0.0031560        
  4    226.2053600             -0.0131090        
  5     95.2614540             -0.0422830        
  6     42.8592030             -0.0998510        
  7     20.0497130             -0.1620460        
  8      9.6208850             -0.1149630        
  9      4.5413710              0.1817420        
P   1
  1      2.1135000              1.0000000        
P   1
  1      0.9472010              1.0000000        
P   1
  1      0.3912430              1.0000000        
P   1
  1      0.1564800              1.0000000        
P   1
  1      0.0625920              1.0000000        
P   1
  1      0.0250370              1.0000000        
D   5
  1    217.3688300              0.0009450        
  2     64.9997550              0.0080600        
  3     24.7731370              0.0365040        
  4     10.4361400              0.1110340        
  5      4.6796530              0.2325450        
D   1
  1      2.1256230              1.0000000        
D   1
  1      0.9452420              1.0000000        
D   1
  1      0.4026850              1.0000000        
D   1
  1      0.1566510              1.0000000        
D   1
  1      0.0626600              1.0000000        
F   1
  1      5.1387770              1.0000000        
F   1
  1      1.5190000              1.0000000        
F   1
  1      0.4490100              1.0000000        
G   1
  1      3.7058090              1.0000000        
G   1
  1      1.0114110              1.0000000        
H   1
  1      2.4800000              1.0000000        


name: NASA Ames cc-pVTZ
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: Ti
data:
TITANIUM
S   17
  1 5309148.1000000             0.0000040        
  2 794951.6500000              0.0000340        
  3 180907.5600000              0.0001800        
  4  51241.9330000              0.0007590        
  5  16717.4490000              0.0027570        
  6   6035.2659000              0.0089250        
  7   2353.8571000              0.0260620        
  8    976.1464600              0.0681900        
  9    425.4356300              0.1543490        
 10    193.0467700              0.2802820        
 11     90.4393690              0.3484000        
 12     43.0207130              0.2217050        
 13     19.1905550              0.0400180        
 14      9.4257160             -0.0021380        
 15      4.6052430              0.0017220        
 16      2.0378340             -0.0008020        
 17      0.9800320              0.0003560        
S   17
  1 5309148.1000000            -0.0000010        
  2 794951.6500000             -0.0000100        
  3 180907.5600000             -0.0000530        
  4  51241.9330000             -0.0002240        
  5  16717.4490000             -0.0008180        
  6   6035.2659000             -0.0026590        
  7   2353.8571000             -0.0078790        
  8    976.1464600             -0.0212220        
  9    425.4356300             -0.0514220        
 10    193.0467700             -0.1067020        
 11     90.4393690             -0.1746860        
 12     43.0207130             -0.1560410        
 13     19.1905550              0.1293230        
 14      9.4257160              0.5384640        
 15      4.6052430              0.4357080        
 16      2.0378340              0.0681170        
 17      0.9800320             -0.0024360        
S   16
  1 794951.6500000              0.0000040        
  2 180907.5600000              0.0000180        
  3  51241.9330000              0.0000810        
  4  16717.4490000              0.0002890        
  5   6035.2659000              0.0009510        
  6   2353.8571000              0.0028120        
  7    976.1464600              0.0076020        
  8    425.4356300              0.0185920        
  9    193.0467700              0.0390850        
 10     90.4393690              0.0664980        
 11     43.0207130              0.0620460        
 12     19.1905550             -0.0562490        
 13      9.4257160             -0.3180890        
 14      4.6052430             -0.4058270        
 15      2.0378340              0.1704320        
 16      0.9800320              0.6975960        
S   1
  1      0.4456250              1.0000000        
S   1
  1      0.1064170              1.0000000        
S   1
  1      0.0525710              1.0000000        
S   1
  1      0.0243570              1.0000000        
P   10
  1   7999.8045000              0.0000880        
  2   1894.4515000              0.0007770        
  3    615.1874800              0.0044040        
  4    234.9274100              0.0186640        
  5     99.2137530              0.0620720        
  6     44.9161400              0.1590770        
  7     21.2497170              0.2969700        
  8     10.3304580              0.3688010        
  9      5.1049800              0.2348260        
 10      2.4406900              0.0493560        
P   10
  1   7999.8045000             -0.0000290        
  2   1894.4515000             -0.0002610        
  3    615.1874800             -0.0014820        
  4    234.9274100             -0.0063570        
  5     99.2137530             -0.0214770        
  6     44.9161400             -0.0571340        
  7     21.2497170             -0.1104660        
  8     10.3304580             -0.1481470        
  9      5.1049800             -0.0554260        
 10      2.4406900              0.2455620        
P   1
  1      1.1512050              1.0000000        
P   1
  1      0.5295560              1.0000000        
P   1
  1      0.2211900              1.0000000        
P   1
  1      0.0880000              1.0000000        
P   1
  1      0.0350000              1.0000000        
P   1
  1      0.0140000              1.0000000        
D   4
  1     89.5692010              0.0019660        
  2     26.5843560              0.0147190        
  3      9.7710320              0.0582080        
  4      3.9619330              0.1581680        
D   1
  1      1.6892690              1.0000000        
D   1
  1      0.7156710              1.0000000        
D   1
  1      0.2938110              1.0000000        
D   1
  1      0.1108310              1.0000000        
D   1
  1      0.0440000              1.0000000        
F   1
  1      1.2752200              1.0000000        
F   1
  1      0.2927500              1.0000000        
G   1
  1      0.6300000              1.0000000        


name: NASA Ames cc-pVTZ
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: Fe
data:
IRON
S   18
  1 4316265.3000000             0.0000090        
  2 646342.4200000              0.0000670        
  3 147089.7300000              0.0003540        
  4  41661.5220000              0.0014940        
  5  13590.7650000              0.0054110        
  6   4905.7500000              0.0173530        
  7   1912.7458000              0.0495400        
  8    792.6043400              0.1230340        
  9    344.8064800              0.2492910        
 10    155.8998900              0.3585600        
 11     72.2309080              0.2774790        
 12     32.7250650              0.0672010        
 13     15.6676220             -0.0011550        
 14      7.5034830              0.0019310        
 15      3.3122230             -0.0008930        
 16      1.5584710              0.0003850        
 17      0.6839140             -0.0001510        
 18      0.1467570              0.0000560        
S   18
  1 4316265.3000000            -0.0000030        
  2 646342.4200000             -0.0000200        
  3 147089.7300000             -0.0001080        
  4  41661.5220000             -0.0004540        
  5  13590.7650000             -0.0016500        
  6   4905.7500000             -0.0053420        
  7   1912.7458000             -0.0156190        
  8    792.6043400             -0.0408880        
  9    344.8064800             -0.0929070        
 10    155.8998900             -0.1689370        
 11     72.2309080             -0.1909910        
 12     32.7250650              0.0439680        
 13     15.6676220              0.5154530        
 14      7.5034830              0.5051630        
 15      3.3122230              0.0923750        
 16      1.5584710             -0.0024030        
 17      0.6839140              0.0022460        
 18      0.1467570             -0.0004940        
S   18
  1 4316265.3000000             0.0000010        
  2 646342.4200000              0.0000080        
  3 147089.7300000              0.0000400        
  4  41661.5220000              0.0001680        
  5  13590.7650000              0.0006110        
  6   4905.7500000              0.0019840        
  7   1912.7458000              0.0058060        
  8    792.6043400              0.0153280        
  9    344.8064800              0.0352100        
 10    155.8998900              0.0662250        
 11     72.2309080              0.0784520        
 12     32.7250650             -0.0187860        
 13     15.6676220             -0.3051870        
 14      7.5034830             -0.4593380        
 15      3.3122230              0.1270580        
 16      1.5584710              0.7292350        
 17      0.6839140              0.3992630        
 18      0.1467570              0.0164900        
S   17
  1 646342.4200000              0.0000020        
  2 147089.7300000              0.0000090        
  3  41661.5220000              0.0000360        
  4  13590.7650000              0.0001310        
  5   4905.7500000              0.0004250        
  6   1912.7458000              0.0012420        
  7    792.6043400              0.0032840        
  8    344.8064800              0.0075530        
  9    155.8998900              0.0142720        
 10     72.2309080              0.0169960        
 11     32.7250650             -0.0040380        
 12     15.6676220             -0.0696300        
 13      7.5034830             -0.1100960        
 14      3.3122230              0.0384720        
 15      1.5584710              0.2262400        
 16      0.6839140              0.2506610        
 17      0.1467570             -0.3198270        
S   1
  1      0.0705830              1.0000000        
S   1
  1      0.0314490              1.0000000        
P   9
  1   7721.4886000              0.0001760        
  2   1829.1258000              0.0015510        
  3    593.6279500              0.0086390        
  4    226.2053600              0.0354820        
  5     95.2614540              0.1108050        
  6     42.8592030              0.2515360        
  7     20.0497130              0.3816690        
  8      9.6208850              0.3099100        
  9      4.5413710              0.0878640        
P   9
  1   7721.4886000             -0.0000640        
  2   1829.1258000             -0.0005620        
  3    593.6279500             -0.0031560        
  4    226.2053600             -0.0131090        
  5     95.2614540             -0.0422830        
  6     42.8592030             -0.0998510        
  7     20.0497130             -0.1620460        
  8      9.6208850             -0.1149630        
  9      4.5413710              0.1817420        
P   1
  1      2.1135000              1.0000000        
P   1
  1      0.9472010              1.0000000        
P   1
  1      0.3912430              1.0000000        
P   1
  1      0.1564800              1.0000000        
P   1
  1      0.0625920              1.0000000        
P   1
  1      0.0250370              1.0000000        
D   5
  1    217.3688300              0.0009450        
  2     64.9997550              0.0080600        
  3     24.7731370              0.0365040        
  4     10.4361400              0.1110340        
  5      4.6796530              0.2325450        
D   1
  1      2.1256230              1.0000000        
D   1
  1      0.9452420              1.0000000        
D   1
  1      0.4026850              1.0000000        
D   1
  1      0.1566510              1.0000000        
D   1
  1      0.0626600              1.0000000        
F   1
  1      3.2659530              1.0000000        
F   1
  1      0.7867870              1.0000000        
G   1
  1      2.2480000              1.0000000        


name: NLO-V
description: N/A
elt: H
data:
HYDROGEN
S   3
  1     13.01070100000          0.0175900        
  2      4.089700000000         0.0136300        
  3      1.962257200000         0.1066300        
S   3
  1      0.965800000000         0.0372100        
  2      0.444537960000         0.4552300        
  3      0.121949620000         0.5076800        
P   2
  1      2.616630000000         0.0023400        
  2      0.462800000000         0.5239200        


name: NLO-V
description: N/A
elt: B
data:
BORON
S   4
  1    839.3183008600           0.0056800        
  2    126.2646484300           0.0427700        
  3     28.62060076300          0.1811100        
  4     11.17200000000          0.0430600        
S   3
  1      7.879372271000         0.4034300        
  2      2.617600000000         0.4344400        
  3      2.408885717200         0.0004900        
S   3
  1      0.588240000000         0.0624300        
  2      0.251051090360         0.6498700        
  3      0.083648866069         0.3870500        
P   4
  1     34.10060000000          0.0023900        
  2      8.312000000000         0.0244500        
  3      6.033222361900         0.0269700        
  4      3.859000000000         0.0550900        
P   4
  1      1.249915786600         0.1191400        
  2      0.898600000000         0.0791100        
  3      0.338716763500         0.4843500        
  4      0.096415632351         0.8329900        
D   2
  1      1.013920000000         0.0072900        
  2      0.253290000000         0.0435300        


name: NLO-V
description: N/A
elt: C
data:
CARBON
S   4
  1   1238.401693800            0.0012100        
  2    186.2900499200           0.0090900        
  3     42.25117634600          0.0423900        
  4     11.67655793200          0.1268100        
S   3
  1      3.623200000000         0.5093300        
  2      3.593050648200         0.3131700        
  3      0.987470000000         0.1062900        
S   3
  1      0.402451473630         0.4967600        
  2      0.305400000000         0.1332900        
  3      0.130901826680         0.3943700        
P   4
  1      9.468097062100         0.0379000        
  2      2.010354514200         0.1917400        
  3      0.783900000000         0.1066100        
  4      0.547710047070         0.3137800        
P   4
  1      0.197330000000         0.5806300        
  2      0.152686137950         0.3063800        
  3      0.101660000000         0.2935100        
  4      0.043029300000         0.0405300        
D   2
  1      2.486000000000         0.0022600        
  2      0.164120000000         0.0099700        


name: NLO-V
description: N/A
elt: N
data:
NITROGEN
S   4
  1   1712.841585300            0.0055400        
  2    257.6481267700           0.0409900        
  3     58.45824585300          0.1840000        
  4     16.19836790500          0.4573900        
S   3
  1      5.035732000000         0.4793200        
  2      5.005260080900         0.3738400        
  3      4.775700000000         0.4381800        
S   3
  1      1.475900000000         0.0604000        
  2      0.587318565710         0.0106400        
  3      0.187645922530         0.0028700        
P   4
  1     13.57147023300          0.0411200        
  2      2.925737287400         0.2064600        
  3      1.149209000000         0.1125900        
  4      0.799277507540         0.3379600        
P   4
  1      0.281150000000         0.6387600        
  2      0.219543480340         0.3901400        
  3      0.148770000000         0.2817400        
  4      0.059277000000         0.0196600        
D   2
  1      8.522000000000         0.0007400        
  2      2.803000000000         0.0055000        


name: NLO-V
description: N/A
elt: O
data:
OXYGEN
S   4
  1   2266.176778500            0.0054900        
  2    340.8701019100           0.0406100        
  3     77.36313516700          0.1831900        
  4     21.47964494000          0.4563200        
S   3
  1      6.658943312400         0.7555400        
  2      6.115900000000         0.3479700        
  3      2.074130000000         0.0766200        
S   3
  1      0.809759756680         0.0502800        
  2      0.608900000000         0.0380700        
  3      0.255307722340         0.0033100        
P   4
  1     81.60080000000          0.0044600        
  2     17.72150431700          0.0265600        
  3      8.721800000000         0.0429700        
  4      3.863550544000         0.1375200        
P   4
  1      3.588800000000         0.3463800        
  2      1.048092088300         0.4872200        
  3      0.276415444110         0.4524800        
  4      0.067065000000         0.0487700        
D   2
  1      7.198000000000         0.0013300        
  2      0.282200000000         0.0085500        


name: NLO-V
description: N/A
elt: F
data:
FLUORINE
S   4
  1   2894.832599000            0.0054400        
  2    435.4193912000           0.0403200        
  3     98.84332886600          0.1823600        
  4     27.48519800100          0.4556200        
S   3
  1      8.540549817100         0.6750300        
  2      7.606400000000         0.0631800        
  3      2.757004000000         0.0987900        
S   3
  1      1.065457803800         0.4677200        
  2      0.816992000000         0.1681100        
  3      0.332473467480         0.4054000        
P   4
  1     22.69663392400          0.0415600        
  2      8.546200000000         0.0277700        
  3      4.987233925700         0.1882700        
  4      1.960299000000         0.1528700        
P   4
  1      1.349161395400         0.3407400        
  2      0.475750000000         0.2881400        
  3      0.348298819770         0.1703900        
  4      0.079310000000         0.0527200        
D   2
  1      5.275600000000         0.0019200        
  2      1.258140000000         0.0098600        


name: NLO-V
description: N/A
elt: Si
data:
SILICON
S   6
  1   6903.711868600            0.0055600        
  2   1038.434641900            0.0423700        
  3    235.8758148000           0.1807600        
  4     66.06938516900          0.3361200        
  5     59.10000040000          0.7510000        
  6     34.35348173000          0.3816400        
S   3
  1     20.24794576100          0.1569200        
  2     19.75041540000          0.0154000        
  3      9.009500000000         0.1157800        
S   3
  1      5.275000000000         0.1454500        
  2      3.637078819200         0.5542600        
  3      1.400204859900         0.5385100        
S   2
  1      0.204844148050         0.7923400        
  2      0.077994095468         0.3437900        
P   5
  1    179.8390737300           0.0102200        
  2     41.90725884600          0.0681900        
  3     15.01200000000          0.0874800        
  4     12.95529436700          0.1346500        
  5      5.812000000000         0.1916500        
P   4
  1      4.438326739300         0.2518100        
  2      1.687000000000         0.5651000        
  3      1.546224790400         0.8767600        
  4      0.813920000000         0.1747700        
P   3
  1      0.356076123020         0.4031500        
  2      0.295403000000         0.0557800        
  3      0.100085137620         0.7083400        
D   2
  1      1.890000000000         0.0001200        
  2      0.095830000000         0.0154200        


