GENERAL INFO

Title: TS(C-D)
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/195348
Program: Gaussian 09 ES64L-G09RevD.01
Author: Laconsay, Croix
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
-10.6795 -0.1834 0.6108 10.6985

Quadrupole moment

XX YY ZZ XY XZ YZ
-66.0085 -113.0992 -116.3188 1.9057 -1.0515 -1.2830

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-10.6795 -0.1834 0.6108 10.6985

Quadrupole moment

XX YY ZZ XY XZ YZ
-66.0085 -113.0992 -116.3188 1.9057 -1.0515 -1.2830

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