GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/NBO V_NBO
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23491
Program: Gaussian 09
Author: García, Cristina
Formula: C 23.0 H 32.0 Br 1.0 N 1.0 O 2.0 Rh 1.0 Si 1.0
Calculation type: Single point Structure
Method(s): RwB97XD

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 1 1

JOB |

Energies


Energy Value Units
HF -1512.549643 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-10.6694 -8.8462 -4.0562 14.4410

Quadrupole moment

XX YY ZZ XY XZ YZ
-144.8985 -181.5148 -189.7283 4.4225 7.1129 -1.2545

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