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)
-1.24100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.09844
0.00000
0.00000
2
0.06601
0.00000
0.00000
3
0.02970
0.00000
0.00958
4
0.02970
0.00000
-0.00958
5
0.02917
0.00000
-0.10427
6
0.02917
0.00000
0.10427
7
-0.07247
0.00000
0.07760
8
-0.07247
0.00000
-0.07760
9
-0.05882
0.00000
-0.01848
10
-0.05882
0.00000
0.01848
11
-0.01390
0.00000
-0.01606
12
-0.01390
0.00000
0.01606
13
0.12057
0.00000
-0.12158
14
0.12057
0.00000
0.12158
15
-0.00792
0.00000
0.20400
16
-0.00792
0.00000
-0.20400
17
-0.06380
0.00000
-0.02720
18
-0.06380
0.00000
0.02720
19
-0.00010
0.00000
-0.02515
20
-0.00010
0.00000
0.02515