GENERAL INFO
Title:
i10_2
Browse item:
https://iochem-bd.bsc.es:443/browse/handle/100/193042
Program:
Gaussian 09 ES64L-G09RevD.01
Author:
Galvao, Tiago
Formula:
Calculation type:
Single point Structure
Method(s):
RM062X
ATOM INFO
Atomic coordinates [Å]
MOLECULAR INFO
Charge / Multiplicity:
JOB
|
Energies
Mulliken charges
Dipole moment (Debye)
Dipole moment
X
Y
Z
Total
3.9151
-4.2327
4.6695
7.4194
Quadrupole moment
XX
YY
ZZ
XY
XZ
YZ
-170.1452
-230.5101
-234.4354
-6.1121
17.7761
-11.5051
Report data
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