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)
-0.38200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.04759
2
0.00000
0.00000
0.07231
3
-0.07009
0.00000
-0.01932
4
0.07009
0.00000
-0.01932
5
-0.01245
0.00000
0.06831
6
0.01245
0.00000
0.06831
7
-0.11488
0.00000
-0.03218
8
0.11488
0.00000
-0.03218
9
-0.08855
0.00000
-0.03270
10
0.08855
0.00000
-0.03270
11
0.01962
0.00000
-0.03776
12
-0.01962
0.00000
-0.03776
13
0.04585
0.00000
0.06416
14
-0.04585
0.00000
0.06416
15
-0.11323
0.00000
-0.02488
16
0.11323
0.00000
-0.02488
17
-0.05136
0.00000
-0.10516
18
0.05136
0.00000
-0.10516
19
-0.02415
0.00000
-0.00908
20
0.02416
0.00000
-0.00908