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)
-462.67905
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04694 b
(cm-1)
0.03882 c
(cm-1)
0.02141
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.82674
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
1.16200
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02223
0.00000
0.00000
2
0.06064
0.00000
0.00000
3
-0.03870
0.00000
0.00016
4
-0.03870
0.00000
-0.00016
5
-0.04603
0.00000
0.02209
6
-0.04603
0.00000
-0.02209
7
0.02039
0.00000
0.03713
8
0.02039
0.00000
-0.03713
9
-0.01232
0.00000
-0.06920
10
-0.01232
0.00000
0.06920
11
0.04090
0.00000
-0.02502
12
0.04090
0.00000
0.02502
13
0.16324
0.00000
0.03833
14
0.16324
0.00000
-0.03833
15
0.05210
0.00000
-0.00392
16
0.05210
0.00000
0.00392
17
0.11661
0.00000
0.16560
18
0.11661
0.00000
-0.16560
19
-0.19976
0.20886
0.19484
20
-0.19976
-0.20886
0.19484
21
-0.19976
-0.20886
-0.19484
22
-0.19976
0.20886
-0.19484