GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/V_prima/NBO V_prima
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23648
Program: Gaussian 09
Author: García, Cristina
Formula: C 20.0 H 16.0 Br 1.0 N 1.0 O 2.0 Rh 1.0
Calculation type: Single point Structure
Method(s):

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 1 1

JOB |

Energies


Energy Value Units
HF -1099.0800776 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-6.3555 -9.4394 -4.7011 12.3123

Quadrupole moment

XX YY ZZ XY XZ YZ
-111.9787 -140.6381 -148.3787 -1.5927 5.4107 -5.1701

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