Charge: -1
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q-1
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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.14500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.02084
2
0.00000
0.00000
0.06227
3
0.06995
0.00000
-0.01872
4
-0.06995
0.00000
-0.01872
5
-0.04031
0.00000
0.04961
6
0.04031
0.00000
0.04961
7
0.11005
0.00000
-0.05829
8
-0.11005
0.00000
-0.05829
9
-0.08901
0.00000
-0.04123
10
0.08901
0.00000
-0.04123
11
0.00646
0.00000
0.01916
12
-0.00646
0.00000
0.01916
13
0.02629
0.00000
0.04662
14
-0.02629
0.00000
0.04662
15
0.17529
0.00000
0.04042
16
-0.17529
0.00000
0.04042
17
-0.12521
0.00000
0.02406
18
0.12521
0.00000
0.02406
19
0.05888
0.00000
-0.01685
20
-0.05888
0.00000
-0.01685