GENERAL INFO

Title: /Gas-phase/HSE06 H2CO
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/477137
Program: Gaussian 16 ES64L-G16RevB.01
Author: Mates Torres, Eric
Formula: CH2O
Calculation type: Single point Structure
Method(s): RHSEH1PBE

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group
Full point group C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -112.174170965 Eh

Energy Value Units
HF -112.174171 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
2.2904 -0.0000 0.0000 2.2904

Quadrupole moment

XX YY ZZ XY XZ YZ
-12.7192 -12.1902 -12.2022 -0.0000 0.0000 0.0000

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