GENERAL INFO
Title:
6
Browse item:
https://iochem-bd.bsc.es:443/browse/handle/100/315388
Program:
Gaussian 16 ES64L-G16RevA.03
Author:
Kiriakidi, Sofia
Formula:
C41H49AuN2O2PS
Calculation type:
Single point Structure
Method(s):
RB3LYP
ATOM INFO
Atomic coordinates [Å]
MOLECULAR INFO
Charge / Multiplicity:
1 1
JOB
|
Energies
Energy
Value
Units
HF
-2727.0242893
Eh
Report data
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