GENERAL INFO
Title:
36B-T
Browse item:
https://iochem-bd.bsc.es:443/browse/handle/100/215429
Program:
Gaussian 16 AS64L-G16RevC.01
Author:
Laconsay, Croix
Formula:
Calculation type:
Single point Structure
Method(s):
UwB97XD
ATOM INFO
Atomic coordinates [Å]
MOLECULAR INFO
Charge / Multiplicity:
JOB
|
Energies
Spin
S^2
S**2 before annihilation =
2.0108
JOB
|
Energies
Spin
S^2
S**2 before annihilation =
2.0108
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