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)
-460.74502
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05226 b
(cm-1)
0.03846 c
(cm-1)
0.02216
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.65729
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)
-0.70800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00271
2
0.00000
0.00000
0.03400
3
-0.00366
0.00000
0.02483
4
0.00366
0.00000
0.02483
5
-0.00625
0.00000
-0.00172
6
0.00625
0.00000
-0.00172
7
0.01658
0.00000
-0.00282
8
-0.01658
0.00000
-0.00282
9
-0.01770
0.00000
-0.02518
10
0.01770
0.00000
-0.02518
11
-0.16484
0.00000
-0.01938
12
0.16484
0.00000
-0.01938
13
0.04908
0.00000
-0.00615
14
-0.04908
0.00000
-0.00615
15
0.01375
0.00000
-0.00834
16
-0.01375
0.00000
-0.00834
17
-0.02795
0.00000
-0.00941
18
0.02795
0.00000
-0.00941
19
-0.35507
0.00000
0.09432
20
0.35507
0.00000
0.09432