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)
-461.99787
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04750 b
(cm-1)
0.03894 c
(cm-1)
0.02157
Dipole Moments
mu_x(Debye)
0.00002 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.19779
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
1.71300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.05500
0.00000
0.00000
2
-0.16283
0.00000
0.00000
3
0.00031
0.00000
0.02010
4
0.00031
0.00000
-0.02010
5
-0.01013
0.00000
-0.03051
6
-0.01013
0.00000
0.03051
7
-0.01050
0.00000
-0.01750
8
-0.01050
0.00000
0.01750
9
0.03350
0.00000
-0.00656
10
0.03350
0.00000
0.00656
11
-0.01304
0.00000
-0.00595
12
-0.01304
0.00000
0.00594
13
0.50885
0.00000
-0.00069
14
0.50885
0.00000
0.00069
15
-0.05375
0.00000
0.05193
16
-0.05374
0.00000
-0.05193
17
0.06204
0.00000
0.03652
18
0.06205
0.00000
-0.03653
19
0.06162
-0.00178
0.04782
20
0.06162
0.00178
0.04782
21
0.06162
0.00178
-0.04782
22
0.06162
-0.00178
-0.04782