Charge: 1
Inchi:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/q+1
Electronic States
Energy
(eV)
-539.29039
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)
0.07166 b
(cm-1)
0.01501 c
(cm-1)
0.01241
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)
0.83200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.08061
2
0.00000
0.00000
0.08061
3
0.00000
0.00000
-0.09205
4
0.00000
0.00000
-0.09205
5
0.00000
0.00000
-0.09205
6
0.00000
0.00000
-0.09205
7
0.00000
0.00000
0.03695
8
0.00000
0.00000
0.03695
9
0.00000
0.00000
0.03695
10
0.00000
0.00000
0.03695
11
0.00000
0.00000
-0.01592
12
0.00000
0.00000
-0.01592
13
0.00000
0.00000
-0.01592
14
0.00000
0.00000
-0.01592
15
0.00000
0.00000
0.34479
16
0.00000
0.00000
0.34479
17
0.00000
0.00000
0.17108
18
0.00000
0.00000
0.17108
19
0.00000
0.00000
0.17108
20
0.00000
0.00000
0.17108
21
0.00000
0.00000
0.02236
22
0.00000
0.00000
0.02236
23
0.00000
0.00000
0.02236
24
0.00000
0.00000
0.02236