Cyclic C14 (C14)

General Molecule Info

Charge: -1

Inchi:1S/C14/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/q-1

Electronic States

Energy
(eV)
-533.119258

Description
D0

Multiplicity
2

Is Minimum
yes

Symmetry
-

Theory Level
DFT - B3LYP

Element
and
Basis Sets
6-31+G*

Symmetry Group
D2h

Symmetry Elements
E C2(z) C2(y) C2(x) i sigmah(xy) sigmah(xz) sigmah(yz)

Dipole Moments

 mu_x
(Debye)
-0.000156 mu_y
(Debye)
-0.000018 mu_z
(Debye)
-0.000004

Energy
(eV)
-532.392480

Description
D0

Multiplicity
2

Is Minimum
yes

Symmetry
-

Theory Level
DFT - B3LYP

Element
and
Basis Sets
4-31g

Symmetry Group
D2h

Symmetry Elements
E C2(z) C2(y) C2(x) i sigmah(xy) sigmah(xz) sigmah(yz)

Dipole Moments

 mu_x
(Debye)
-0.000153 mu_y
(Debye)
-0.000063 mu_z
(Debye)
0.000020
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Theoretical spectral database of polycyclic aromatic hydrocarbons