Charge: 1
Inchi:1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2/q+1
Electronic States
Energy
(eV)
-462.45186
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04727 b
(cm-1)
0.03942 c
(cm-1)
0.02167
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.01975
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)
1.21600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.06955
2
0.00000
0.00000
0.03728
3
-0.02836
0.00000
0.03126
4
0.02836
0.00000
0.03126
5
-0.05938
0.00000
0.02212
6
0.05938
0.00000
0.02212
7
0.03132
0.00000
0.02883
8
-0.03132
0.00000
0.02883
9
-0.01725
0.00000
-0.09623
10
0.01725
0.00000
-0.09623
11
-0.00964
0.00000
-0.00766
12
0.00964
0.00000
-0.00766
13
0.34079
0.00000
0.05456
14
-0.34079
0.00000
0.05456
15
0.01950
0.00000
0.06112
16
-0.01950
0.00000
0.06112
17
0.19932
0.00000
0.29812
18
-0.19932
0.00000
0.29812
19
0.01040
0.00847
0.01817
20
0.01040
-0.00847
0.01817
21
-0.01040
0.00847
0.01817
22
-0.01040
-0.00847
0.01817