GENERAL INFO

Title: GDS05
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/103144
Program: Gaussian 09 EM64L-G09RevC.01
Author: Dias da Silva, Gabriela
Formula: C16H17N3O5Te
Calculation type: Geometry optimization Minimum
Method(s): RB3LYP

ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group
Full point group C1 NOp 1

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-5.2694 1.2420 1.8799 5.7309

Quadrupole moment

XX YY ZZ XY XZ YZ
-208.5305 -165.3283 -156.5259 -0.3175 4.7424 12.1196

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