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)
0.60200
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.06182
0.00000
0.00000
2
0.00462
0.00000
0.00000
3
0.04508
0.00000
0.04437
4
0.04508
0.00000
-0.04437
5
-0.07674
0.00000
-0.01966
6
-0.07674
0.00000
0.01966
7
-0.04642
0.00000
0.04166
8
-0.04642
0.00000
-0.04166
9
0.08199
0.00000
-0.01580
10
0.08199
0.00000
0.01580
11
-0.01114
0.00000
0.04793
12
-0.01114
0.00000
-0.04793
13
-0.32124
0.00000
-0.03859
14
-0.32124
0.00000
0.03859
15
-0.13461
0.00000
0.19888
16
-0.13461
0.00000
-0.19888
17
0.13032
0.00000
0.08000
18
0.13032
0.00000
-0.08000
19
0.00804
-0.00184
0.05843
20
0.00804
0.00184
0.05843
21
0.00804
0.00184
-0.05843
22
0.00804
-0.00184
-0.05843