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)
1.28300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00047
0.00000
0.00000
2
0.00133
0.00000
0.00000
3
0.00063
0.00000
-0.00061
4
0.00063
0.00000
0.00061
5
-0.00062
0.00000
0.02164
6
-0.00062
0.00000
-0.02164
7
-0.02987
0.00000
-0.02029
8
-0.02987
0.00000
0.02029
9
-0.03667
0.00000
0.02009
10
-0.03667
0.00000
-0.02009
11
-0.00199
0.00000
0.00157
12
-0.00199
0.00000
-0.00157
13
0.01576
0.00000
-0.24245
14
0.01576
0.00000
0.24245
15
0.35032
0.00000
0.21362
16
0.35032
0.00000
-0.21362
17
0.41888
0.00000
-0.22252
18
0.41888
0.00000
0.22252
19
0.01008
0.02375
-0.01429
20
0.01008
-0.02375
-0.01429
21
0.01008
-0.02375
0.01429
22
0.01008
0.02375
0.01429