GENERAL INFO

Title: /bis-PEtAm2Ph2 bis-PEtAm2Ph2_Ci_1_1
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/452072
Program: Gaussian 03 AM64L-G03RevD.02
Author: Pye, Cory
Formula: C28H28N4P2
Calculation type: Single point Structure
Method(s):

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies

Energy Value Units
SCF Done: -1952.48882392 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0000 0.0000 0.0000 0.0000

Quadrupole moment

XX YY ZZ XY XZ YZ
-205.2685 -204.6872 -183.9424 -1.3725 -0.4556 -0.9643

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