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)
-0.46600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.13043
0.00000
2
0.00000
0.03910
0.00000
3
0.00000
0.08139
0.00000
4
0.00000
0.08139
0.00000
5
0.00000
-0.06498
0.00000
6
0.00000
-0.06498
0.00000
7
0.00000
0.05565
0.00000
8
0.00000
0.05565
0.00000
9
0.00000
-0.02844
0.00000
10
0.00000
-0.02844
0.00000
11
0.00000
-0.08213
0.00000
12
0.00000
-0.08213
0.00000
13
0.00000
-0.18432
0.00000
14
0.00000
-0.18432
0.00000
15
0.00000
0.05068
0.00000
16
0.00000
0.05068
0.00000
17
0.00000
-0.09431
0.00000
18
0.00000
-0.09431
0.00000
19
0.00756
-0.16146
-0.12666
20
-0.00756
-0.16146
0.12666
21
-0.00756
-0.16146
-0.12666
22
0.00756
-0.16146
0.12666