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)
-1.22600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.01739
2
0.00000
0.00000
0.06429
3
0.05460
0.00000
0.01624
4
-0.05460
0.00000
0.01624
5
-0.03833
0.00000
-0.01420
6
0.03833
0.00000
-0.01420
7
-0.03570
0.00000
0.00873
8
0.03570
0.00000
0.00873
9
0.02067
0.00000
-0.00997
10
-0.02067
0.00000
-0.00997
11
-0.07992
0.00000
0.00412
12
0.07992
0.00000
0.00412
13
-0.06400
0.00000
-0.01341
14
0.06400
0.00000
-0.01341
15
-0.17472
0.00000
-0.21014
16
0.17472
0.00000
-0.21014
17
0.02571
0.00000
-0.01841
18
-0.02571
0.00000
-0.01841
19
0.37521
0.00000
-0.30304
20
-0.37521
0.00000
-0.30304