GENERAL INFO

Title: H+
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/486395
Program: Gaussian 16 ES64L-G16RevA.03
Author: Ahmed, Yusef
Formula: H
Calculation type: Geometry optimization Minimum
Method(s): RB3LYP
Temperature 298.150 K
Pressure 1.00000 atm

ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity: 1 1

JOB |

Energies

Energy Value Units
SCF Done: -0.214673259942 Eh

JOB |

Energies

Energy Value Units
SCF Done: -0.214673259942 Eh
Zero-point correction 0.000000 Eh
Thermal correction to Energy 0.001416 Eh
Thermal correction to Enthalpy 0.002360 Eh
Thermal correction to Gibbs Free Energy -0.010000 Eh
Sum of electronic and zero-point Energies -0.214673 Eh
Sum of electronic and thermal Energies -0.213257 Eh
Sum of electronic and thermal Enthalpies -0.212313 Eh
Sum of electronic and thermal Free Energies -0.224673 Eh


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