Charge: 2
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q+2
Electronic States
Energy
(eV)
-461.21366
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05139 b
(cm-1)
0.03981 c
(cm-1)
0.02243
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.36522
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
2.04100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00040
0.00000
0.00000
2
0.00111
0.00000
0.00000
3
0.00085
0.00000
-0.00121
4
0.00085
0.00000
0.00121
5
-0.00096
0.00000
0.01623
6
-0.00096
0.00000
-0.01623
7
-0.03063
0.00000
-0.01951
8
-0.03063
0.00000
0.01951
9
-0.03689
0.00000
0.01971
10
-0.03689
0.00000
-0.01971
11
0.00463
0.00000
-0.00883
12
0.00463
0.00000
0.00883
13
0.01439
0.00000
-0.18304
14
0.01439
0.00000
0.18304
15
0.36070
0.00000
0.21613
16
0.36070
0.00000
-0.21613
17
0.42741
0.00000
-0.22423
18
0.42741
0.00000
0.22423
19
-0.06150
0.00000
0.08920
20
-0.06150
0.00000
-0.08920