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)
1.05400
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-0.00200
Eigenvectors
#
X
Y
Z
1
0.00115
0.00000
0.00000
2
0.00166
0.00000
0.00000
3
0.00095
0.00000
-0.00077
4
0.00093
0.00000
0.00076
5
0.00055
0.00000
0.00942
6
0.00054
0.00000
-0.00932
7
-0.02693
0.00000
-0.01983
8
-0.02663
0.00000
0.01961
9
-0.04350
0.00000
0.02602
10
-0.04301
0.00000
-0.02573
11
-0.00012
0.00000
0.00002
12
-0.00012
0.00000
-0.00002
13
0.00517
0.00000
-0.09828
14
0.00511
0.00000
0.09723
15
0.30788
0.00000
0.19216
16
0.30442
0.00000
-0.19000
17
0.49251
0.00000
-0.26969
18
0.48699
0.00000
0.26666
19
-0.00008
0.00030
-0.00056
20
-0.00008
-0.00030
-0.00056
21
-0.00007
-0.00031
0.00057
22
-0.00007
0.00031
0.00057