GENERAL INFO
Title:
p6
Browse item:
https://iochem-bd.iciq.es:443/browse/handle/100/1344
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
0.8052
0.2792
1.1566
1.4366
Quadrupole moment
XX
YY
ZZ
XY
XZ
YZ
-39.4548
-42.5145
-33.1867
-0.4750
-1.7713
2.0645
Report data
This HTML file