GENERAL INFO
Title:
3tsI_T_SVP
Browse item:
https://iochem-bd.bsc.es:443/browse/handle/100/197525
Program:
Gaussian 16 ES64L-G16RevC.01
Author:
Schön, Florian
Formula:
Calculation type:
Single point Structure
Method(s):
UTPSSh
ATOM INFO
Atomic coordinates [Å]
MOLECULAR INFO
Charge / Multiplicity:
JOB
|
Energies
Spin
S^2
S**2 before annihilation =
2.0198
JOB
|
Energies
Spin
S^2
S**2 before annihilation =
2.0320
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