GENERAL INFO

Title: G_Cam10catSCANOPENb_log
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/251995
Program: Gaussian 16 ES64L-G16RevC.01
Author: Tantillo, Dean
Formula: C30H51O
Calculation type: Geometry optimization Minimum
Method(s): RmPW1PW91

ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity: 1 1

JOB |

Energies

Energy Value Units
SCF Done: -1248.67184320 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-22.4267 3.0563 -1.6595 22.6947

Quadrupole moment

XX YY ZZ XY XZ YZ
-41.8062 -176.8013 -179.7301 -19.5271 12.2556 4.5888

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