GENERAL INFO

Title: gas_sp2_add_pdph32_c_cis_M06b
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/21299
Program: Gaussian 09 EM64L-G09RevA.02
Author: Besora, Maria
Formula: C6H11BrP2Pd
Calculation type: Single point Structure
Method(s):

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group
Full point group C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -3616.90937536 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.0049 -1.1922 0.5226 1.6444

Quadrupole moment

XX YY ZZ XY XZ YZ
-99.6819 -98.8859 -98.8414 9.6615 2.8321 1.4016

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