GENERAL INFO

Title: C6H5OH-i_o-H+_irc
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/321189
Program: Gaussian 16 ES64L-G16RevC.01
Author: Løyland, Sverre
Formula: C6H7O
Calculation type: Single point Structure
Method(s):

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies

Energy Value Units
SCF Done: -307.867548091 Eh

Spin

S^2

S**2 before annihilation = -0.0000

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