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)
0.39000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.08601
0.00000
0.00000
2
0.13299
0.00000
0.00000
3
0.04463
0.00000
0.00115
4
0.04463
0.00000
-0.00115
5
-0.10051
0.00000
-0.01738
6
-0.10051
0.00000
0.01738
7
-0.00688
0.00000
-0.02983
8
-0.00688
0.00000
0.02983
9
0.03384
0.00000
0.06242
10
0.03384
0.00000
-0.06242
11
-0.02672
0.00000
-0.01736
12
-0.02672
0.00000
0.01736
13
0.26803
0.00000
0.00792
14
0.26803
0.00000
-0.00792
15
-0.00773
0.00000
-0.02362
16
-0.00773
0.00000
0.02362
17
-0.06092
0.00000
-0.10778
18
-0.06092
0.00000
0.10778
19
0.09167
0.00275
0.07492
20
0.09167
-0.00275
0.07492
21
0.09167
-0.00275
-0.07492
22
0.09167
0.00275
-0.07492