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)
-539.31632
Description
D0
Multiplicity
2
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)
0.07158 b
(cm-1)
0.01500 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)
0.21700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.09147
2
0.00000
0.00000
-0.09147
3
0.00000
0.00000
-0.06620
4
0.00000
0.00000
-0.06620
5
0.00000
0.00000
-0.06620
6
0.00000
0.00000
-0.06620
7
0.00000
0.00000
0.00442
8
0.00000
0.00000
0.00442
9
0.00000
0.00000
0.00442
10
0.00000
0.00000
0.00442
11
0.00000
0.00000
0.09722
12
0.00000
0.00000
0.09722
13
0.00000
0.00000
0.09722
14
0.00000
0.00000
0.09722
15
0.00000
0.00000
-0.09690
16
0.00000
0.00000
-0.09690
17
0.00000
0.00000
0.00204
18
0.00000
0.00000
0.00204
19
0.00000
0.00000
0.00204
20
0.00000
0.00000
0.00204
21
0.00000
0.00000
0.16909
22
0.00000
0.00000
0.16909
23
0.00000
0.00000
0.16909
24
0.00000
0.00000
0.16909