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October 10, 2024
H2O
H2O
ID
3
Molecular Formula
H2O
Elemental Composition %
C: 0%
H: 66.6666666666667%
O: 33.3333333333333%
N: 0%
Weight
18.0149
Programa de Cálculo
G16
SMILES
O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/H2O/h1H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XLYOFNOQVPJJNP-UHFFFAOYSA-N