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)
0.90000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.01520
2
0.00000
0.00000
-0.07449
3
-0.09753
0.00000
0.08402
4
0.09753
0.00000
0.08402
5
0.03343
0.00000
0.01906
6
-0.03344
0.00000
0.01906
7
0.05209
0.00000
-0.01103
8
-0.05209
0.00000
-0.01103
9
-0.02572
0.00000
-0.01434
10
0.02572
0.00000
-0.01434
11
-0.03185
0.00000
-0.03969
12
0.03185
0.00000
-0.03969
13
-0.09991
0.00000
0.03058
14
0.09992
0.00000
0.03058
15
0.16800
0.00000
0.16988
16
-0.16800
0.00000
0.16988
17
0.00872
0.00000
-0.08376
18
-0.00872
0.00000
-0.08376
19
0.22347
0.00000
-0.21641
20
-0.22348
0.00000
-0.21641