GENERAL INFO

Title: H2O_m06sp
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/19946
Program: Gaussian 09 EM64L-G09RevA.02
Author: Besora, Maria
Formula: H2O
Calculation type: Single point Structure
Method(s): RM06

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group
Full point group C2V NOp 4

JOB |

Energies

Energy Value Units
SCF Done: -76.3758590438 Eh

Energy Value Units
HF -76.375859 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0000 0.0000 -2.1587 2.1587

Quadrupole moment

XX YY ZZ XY XZ YZ
-7.1961 -4.1784 -5.9340 0.0000 0.0000 0.0000

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