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)
0.43300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.06789
0.00000
0.00000
2
0.09601
0.00000
0.00000
3
0.08872
0.00000
-0.06173
4
0.08872
0.00000
0.06173
5
-0.07335
0.00000
-0.00228
6
-0.07335
0.00000
0.00228
7
-0.06104
0.00000
0.07374
8
-0.06104
0.00000
-0.07374
9
0.03207
0.00000
-0.01852
10
0.03207
0.00000
0.01852
11
-0.02895
0.00000
-0.03001
12
-0.02895
0.00000
0.03001
13
0.15946
0.00000
0.01362
14
0.15946
0.00000
-0.01362
15
0.07095
0.00000
-0.15020
16
0.07095
0.00000
0.15020
17
0.02444
0.00000
-0.03920
18
0.02444
0.00000
0.03920
19
0.08434
0.00000
0.04472
20
0.08434
0.00000
-0.04472