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)
-0.22900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02775
0.00000
0.00000
2
0.06512
0.00000
0.00000
3
-0.01163
0.00000
-0.05943
4
-0.01163
0.00000
0.05943
5
0.02679
0.00000
0.09163
6
0.02679
0.00000
-0.09163
7
-0.08990
0.00000
-0.03228
8
-0.08990
0.00000
0.03228
9
-0.06302
0.00000
-0.02195
10
-0.06302
0.00000
0.02195
11
0.08672
0.00000
0.04280
12
0.08672
0.00000
-0.04280
13
0.05143
0.00000
0.09154
14
0.05143
0.00000
-0.09154
15
-0.07344
0.00000
-0.00602
16
-0.07344
0.00000
0.00602
17
-0.01100
0.00000
-0.12166
18
-0.01100
0.00000
0.12166
19
0.08767
0.00000
0.04506
20
0.08767
0.00000
-0.04506