Charge: 2
Inchi:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/q+2
Electronic States
Energy
(eV)
-539.57243
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
D2h
Symmetry Elements
E
C2(z)
C2(y)
C2(x)
i
sigmah(xy)
sigmah(xz)
sigmah(yz)
Rotational Constants
(cm-1)
0.07136 b
(cm-1)
0.01501 c
(cm-1)
0.01240
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.15100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.09135
2
0.00000
0.00000
-0.09135
3
0.00000
0.00000
-0.06704
4
0.00000
0.00000
-0.06704
5
0.00000
0.00000
-0.06704
6
0.00000
0.00000
-0.06704
7
0.00000
0.00000
0.00482
8
0.00000
0.00000
0.00482
9
0.00000
0.00000
0.00482
10
0.00000
0.00000
0.00482
11
0.00000
0.00000
0.09691
12
0.00000
0.00000
0.09691
13
0.00000
0.00000
0.09691
14
0.00000
0.00000
0.09691
15
0.00000
0.00000
-0.08801
16
0.00000
0.00000
-0.08801
17
0.00000
0.00000
0.00488
18
0.00000
0.00000
0.00488
19
0.00000
0.00000
0.00488
20
0.00000
0.00000
0.00488
21
0.00000
0.00000
0.16991
22
0.00000
0.00000
0.16991
23
0.00000
0.00000
0.16991
24
0.00000
0.00000
0.16991