GENERAL INFO

Title: tsC+D+IRC
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/330968
Program: Gaussian 16 ES64L-G16RevC.01
Author: DeSnoo, William
Formula: C20H33
Calculation type: Single point Structure
Method(s):

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 1 1

JOB |

Energies

Energy Value Units
SCF Done: -781.578976682 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
4.0363 -0.0336 0.9427 4.1451

Quadrupole moment

XX YY ZZ XY XZ YZ
-83.9480 -109.6222 -115.0868 3.5365 -1.6638 1.8888

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