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)
-461.49413
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05061 b
(cm-1)
0.03995 c
(cm-1)
0.02232
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.29247
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)
0.30500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.03408
2
0.00000
0.00000
-0.05320
3
0.01031
0.00000
-0.00765
4
-0.01031
0.00000
-0.00765
5
0.03078
0.00000
0.07970
6
-0.03078
0.00000
0.07970
7
-0.02696
0.00000
-0.06974
8
0.02696
0.00000
-0.06974
9
-0.02971
0.00000
0.02040
10
0.02971
0.00000
0.02040
11
0.04449
0.00000
0.01480
12
-0.04449
0.00000
0.01480
13
0.24858
0.00000
0.09991
14
-0.24858
0.00000
0.09991
15
0.05324
0.00000
-0.21427
16
-0.05324
0.00000
-0.21427
17
-0.05867
0.00000
-0.02416
18
0.05867
0.00000
-0.02416
19
0.32546
0.00000
0.21168
20
-0.32546
0.00000
0.21168