GENERAL INFO

Title: /fluronapthalene/sp/1F_isomer_3 1F_isomer_3
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/491052
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C10H7F
Calculation type: Single point Structure
Method(s): RMN15

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group
Full point group CS NOp 2

JOB |

Energies

Energy Value Units
SCF Done: -484.716105361 Eh

Energy Value Units
HF -484.7161054 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.6718 -1.1970 0.0000 1.3726

Quadrupole moment

XX YY ZZ XY XZ YZ
-55.7951 -59.2429 -67.2939 3.2548 -0.0000 0.0000

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