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)
-460.74533
Description
T0
Multiplicity
3
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05095 b
(cm-1)
0.03935 c
(cm-1)
0.02220
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.10117
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.97600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.13623
0.00000
0.00000
2
0.02185
0.00000
0.00000
3
0.02841
0.00000
-0.06379
4
0.02841
0.00000
0.06379
5
-0.03992
0.00000
-0.04613
6
-0.03992
0.00000
0.04613
7
-0.08329
0.00000
0.00440
8
-0.08329
0.00000
-0.00440
9
0.05035
0.00000
0.02406
10
0.05035
0.00000
-0.02406
11
-0.02302
0.00000
-0.05654
12
-0.02302
0.00000
0.05654
13
-0.22095
0.00000
-0.03466
14
-0.22095
0.00000
0.03466
15
-0.11968
0.00000
-0.04846
16
-0.11968
0.00000
0.04846
17
0.08056
0.00000
-0.02575
18
0.08056
0.00000
0.02575
19
0.12231
0.00000
-0.16525
20
0.12231
0.00000
0.16525