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)
0.09500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.07099
2
0.00000
0.00000
-0.06529
3
0.03992
0.00000
-0.01084
4
-0.03992
0.00000
-0.01084
5
-0.07084
0.00000
0.00318
6
0.07084
0.00000
0.00318
7
0.01799
0.00000
-0.06800
8
-0.01799
0.00000
-0.06800
9
0.01732
0.00000
0.03233
10
-0.01732
0.00000
0.03233
11
0.09461
0.00000
0.02463
12
-0.09461
0.00000
0.02463
13
0.13710
0.00000
0.01670
14
-0.13710
0.00000
0.01670
15
-0.15266
0.00000
0.20871
16
0.15266
0.00000
0.20871
17
0.07195
0.00000
0.13605
18
-0.07195
0.00000
0.13605
19
-0.17972
0.00000
-0.17277
20
0.17972
0.00000
-0.17277