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)
0.59600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.07562
2
0.00000
0.00000
-0.05659
3
-0.02939
0.00000
0.11320
4
0.02939
0.00000
0.11320
5
0.01679
0.00000
0.03761
6
-0.01679
0.00000
0.03761
7
-0.02543
0.00000
0.04962
8
0.02543
0.00000
0.04962
9
0.02740
0.00000
-0.04232
10
-0.02740
0.00000
-0.04232
11
0.02854
0.00000
-0.05237
12
-0.02854
0.00000
-0.05237
13
-0.19195
0.00000
0.02199
14
0.19195
0.00000
0.02199
15
0.14878
0.00000
-0.22861
16
-0.14878
0.00000
-0.22861
17
-0.03370
0.00000
-0.15987
18
0.03370
0.00000
-0.15987
19
-0.02757
0.00000
-0.10548
20
0.02757
0.00000
-0.10548