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)
-1.15700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.04619
2
0.00000
0.00000
-0.02126
3
-0.01449
0.00000
-0.02617
4
0.01449
0.00000
-0.02617
5
-0.04387
0.00000
-0.02970
6
0.04387
0.00000
-0.02970
7
0.00306
0.00000
-0.06591
8
-0.00306
0.00000
-0.06591
9
-0.01560
0.00000
0.11515
10
0.01560
0.00000
0.11515
11
-0.02297
0.00000
0.02171
12
0.02297
0.00000
0.02171
13
0.28231
0.00000
-0.06035
14
-0.28231
0.00000
-0.06035
15
0.07270
0.00000
0.03004
16
-0.07270
0.00000
0.03004
17
0.20601
0.00000
-0.27941
18
-0.20601
0.00000
-0.27941
19
0.04225
0.00000
-0.01817
20
-0.04225
0.00000
-0.01817