GENERAL INFO
Title:
e3
Browse item:
https://iochem-bd.iciq.es:443/browse/handle/100/1352
Program:
Gaussian 09 EM64L-G09RevA.02
Author:
García Muelas, Rodrigo
Formula:
Calculation type:
Single point Structure
Method(s):
RB3LYP
ATOM INFO
Atomic coordinates [Å]
MOLECULAR INFO
Charge / Multiplicity:
JOB
|
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
X
Y
Z
Total
-2.2018
0.9780
-0.5146
2.4635
Quadrupole moment
XX
YY
ZZ
XY
XZ
YZ
-26.0712
-23.0816
-25.9353
1.2606
3.3238
0.3066
Report data
This HTML file