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)
-1.24600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.16053
0.00000
0.00000
2
-0.00765
0.00000
0.00000
3
0.01947
0.00000
0.00225
4
0.01947
0.00000
-0.00225
5
-0.05692
0.00000
-0.01458
6
-0.05692
0.00000
0.01458
7
-0.06627
0.00000
-0.02644
8
-0.06627
0.00000
0.02644
9
0.06086
0.00000
0.02264
10
0.06086
0.00000
-0.02264
11
-0.00622
0.00000
-0.00868
12
-0.00622
0.00000
0.00868
13
-0.25606
0.00000
-0.00096
14
-0.25606
0.00000
0.00096
15
-0.20792
0.00000
-0.25158
16
-0.20792
0.00000
0.25158
17
0.08553
0.00000
-0.01304
18
0.08553
0.00000
0.01304
19
0.05255
0.00000
-0.04624
20
0.05255
0.00000
0.04624