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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.68700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00106
2
0.00000
0.00000
0.00217
3
-0.00008
0.00000
-0.00003
4
0.00008
0.00000
-0.00003
5
0.00482
0.00000
-0.05856
6
-0.00482
0.00000
-0.05861
7
0.00171
0.00000
0.00066
8
-0.00171
0.00000
0.00066
9
-0.00838
0.00000
0.00685
10
0.00839
0.00000
0.00685
11
-0.00006
0.00000
0.00007
12
0.00006
0.00000
0.00007
13
-0.05132
0.00000
0.65942
14
0.05136
0.00000
0.66002
15
-0.01587
0.00000
-0.00936
16
0.01587
0.00000
-0.00937
17
0.10741
0.00000
-0.06116
18
-0.10751
0.00000
-0.06122
19
0.00037
0.00052
-0.00038
20
0.00037
-0.00052
-0.00038
21
-0.00038
0.00052
-0.00038
22
-0.00037
-0.00052
-0.00038