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)
1.88900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.06018
0.00000
0.00000
2
0.06316
0.00000
0.00000
3
0.06277
0.00000
0.03402
4
0.06277
0.00000
-0.03402
5
-0.05160
0.00000
0.00899
6
-0.05160
0.00000
-0.00899
7
-0.07573
0.00000
-0.05033
8
-0.07573
0.00000
0.05033
9
0.05489
0.00000
-0.01779
10
0.05489
0.00000
0.01779
11
-0.01922
0.00000
0.01340
12
-0.01922
0.00000
-0.01340
13
0.20689
0.00000
-0.01358
14
0.20689
0.00000
0.01358
15
0.12625
0.00000
0.29253
16
0.12625
0.00000
-0.29253
17
-0.07316
0.00000
0.23770
18
-0.07316
0.00000
-0.23770
19
0.06631
0.00000
-0.04546
20
0.06631
0.00000
0.04546