GENERAL INFO
Title:
Q10q
Browse item:
https://iochem-bd.bsc.es:443/browse/handle/100/195183
Program:
Gaussian 16 ES64L-G16RevC.01
Author:
Kojasoy, Volga
Formula:
Calculation type:
Single point Structure
Method(s):
UB3LYP
ATOM INFO
Atomic coordinates [Å]
MOLECULAR INFO
Charge / Multiplicity:
JOB
|
Energies
Spin
S^2
S**2 before annihilation =
3.7751
JOB
|
Energies
Spin
S^2
S**2 before annihilation =
3.7751
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