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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.71600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00115
2
0.00000
0.00000
0.00007
3
-0.00172
0.00000
0.00290
4
0.00172
0.00000
0.00290
5
0.00019
0.00000
-0.00494
6
-0.00019
0.00000
-0.00494
7
-0.00143
0.00000
-0.00167
8
0.00143
0.00000
-0.00167
9
0.00232
0.00000
-0.00111
10
-0.00232
0.00000
-0.00111
11
0.03573
0.00000
-0.04918
12
-0.03573
0.00000
-0.04918
13
-0.00306
0.00000
0.06056
14
0.00306
0.00000
0.06056
15
0.02229
0.00000
0.01304
16
-0.02229
0.00000
0.01304
17
-0.02747
0.00000
0.01474
18
0.02747
0.00000
0.01474
19
-0.38284
0.00000
0.54742
20
0.38284
0.00000
0.54742