GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/S26 S26_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23622
Program: Gaussian 09
Author: García, Cristina
Formula: C 25.0 H 35.0 Ag 1.0 I 1.0 N 1.0 O 4.0 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 -1885.3508277 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-6.5186 5.7259 7.3949 11.4001

Quadrupole moment

XX YY ZZ XY XZ YZ
-205.0301 -216.5042 -232.0894 -7.3064 -16.3059 8.1357

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