GENERAL INFO

Title: Hydroxyoxazolidone_(2)
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/215779
Program: Gaussian 16 ES64L-G16RevA.03
Author: Habets, Thomas
Formula: C9H17NO3
Calculation type: Geometry optimization Minimum
Method(s): RwB97XD - Grimme-D2

ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group
Full point group C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -633.654165315 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.9029 -3.8889 -1.0430 4.1263

Quadrupole moment

XX YY ZZ XY XZ YZ
-73.1744 -94.4331 -76.5929 0.0134 -0.9105 1.8191

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