GENERAL INFO
Title:
i59_2
Browse item:
https://iochem-bd.bsc.es:443/browse/handle/100/193043
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
0.0001
3.5449
0.0020
3.5449
Quadrupole moment
XX
YY
ZZ
XY
XZ
YZ
-224.5847
-187.8879
-186.3474
-0.0006
-8.2791
0.0081
Report data
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