GENERAL INFO

Title: Syn-4a_
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/195231
Program: Gaussian 16 ES64L-G16RevA.03
Author: Kojasoy, Volga
Formula:
Calculation type: Single point Structure
Method(s): RB3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0362 4.6917 6.2419 7.8086

Quadrupole moment

XX YY ZZ XY XZ YZ
-172.5822 -176.9610 -200.1945 2.9302 -17.6915 7.0621

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0362 4.6917 6.2419 7.8086

Quadrupole moment

XX YY ZZ XY XZ YZ
-172.5823 -176.9611 -200.1945 2.9302 -17.6915 7.0621

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