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)
0.34000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00171
2
0.00000
0.00000
0.07174
3
0.02655
0.00000
-0.05540
4
-0.02655
0.00000
-0.05540
5
0.06780
0.00000
0.07659
6
-0.06780
0.00000
0.07659
7
0.03691
0.00000
0.01974
8
-0.03691
0.00000
0.01974
9
0.06844
0.00000
0.03766
10
-0.06844
0.00000
0.03766
11
-0.00447
0.00000
-0.11448
12
0.00447
0.00000
-0.11448
13
0.11287
0.00000
0.07734
14
-0.11287
0.00000
0.07734
15
0.05653
0.00000
0.04528
16
-0.05653
0.00000
0.04528
17
0.08779
0.00000
0.00779
18
-0.08779
0.00000
0.00779
19
-0.00442
0.00000
-0.11995
20
0.00442
0.00000
-0.11995