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)
-0.41200
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02676
0.00000
0.00000
2
0.06110
0.00000
0.00000
3
-0.01628
0.00000
0.07019
4
-0.01628
0.00000
-0.07019
5
0.02720
0.00000
-0.08334
6
0.02720
0.00000
0.08334
7
-0.09089
0.00000
0.02195
8
-0.09089
0.00000
-0.02195
9
-0.05433
0.00000
0.01213
10
-0.05433
0.00000
-0.01213
11
0.08144
0.00000
-0.06547
12
0.08144
0.00000
0.06547
13
0.04489
0.00000
-0.08265
14
0.04489
0.00000
0.08265
15
-0.07225
0.00000
-0.00960
16
-0.07225
0.00000
0.00960
17
-0.00290
0.00000
0.11022
18
-0.00290
0.00000
-0.11022
19
0.06827
0.00528
-0.06926
20
0.06827
-0.00528
-0.06926
21
0.06827
-0.00528
0.06926
22
0.06827
0.00528
0.06926