GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/S25 S25_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23506
Program: Gaussian 09
Author: García, Cristina
Formula: C 23.0 H 32.0 I 1.0 N 1.0 O 2.0 Rh 1.0 Si 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 -1511.0400642 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-10.6712 -9.2318 -4.5149 14.8150

Quadrupole moment

XX YY ZZ XY XZ YZ
-152.6244 -184.8420 -199.1085 6.9209 7.3777 -0.0862

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