{
"molssi_bse_schema": {
"schema_type": "complete",
"schema_version": "0.1"
},
"revision_description": "Data from Gaussian 09/GAMESS",
"revision_date": "2018-06-19",
"elements": {
"1": {
"electron_shells": [
{
"function_type": "gto",
"region": "valence",
"angular_momentum": [
0
],
"exponents": [
"0.1873113696E+02",
"0.2825394365E+01",
"0.6401216923E+00"
],
"coefficients": [
[
"0.3349460434E-01",
"0.2347269535E+00",
"0.8137573261E+00"
]
]
},
{
"function_type": "gto",
"region": "valence",
"angular_momentum": [
0
],
"exponents": [
"0.1612777588E+00"
],
"coefficients": [
[
"1.0000000"
]
]
}
],
"references": [
{
"reference_description": "31G Split-valence basis set for H,He",
"reference_keys": [
"ditchfield1971a"
]
}
]
}
},
"version": "1",
"function_types": [
"gto"
],
"names": [
"6-31G"
],
"tags": [],
"family": "pople",
"description": "6-31G valence double-zeta",
"role": "orbital",
"auxiliaries": {},
"name": "6-31G"
}