Charge: 2
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q+2
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)
0.66000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.11808
0.00000
2
0.00000
-0.00303
0.00000
3
0.00000
-0.08599
0.00000
4
0.00000
-0.08599
0.00000
5
0.00000
0.06455
0.00000
6
0.00000
0.06455
0.00000
7
0.00000
-0.06497
0.00000
8
0.00000
-0.06497
0.00000
9
0.00000
0.01446
0.00000
10
0.00000
0.01446
0.00000
11
0.00000
0.09935
0.00000
12
0.00000
0.09935
0.00000
13
0.00000
0.15462
0.00000
14
0.00000
0.15462
0.00000
15
0.00000
-0.08327
0.00000
16
0.00000
-0.08327
0.00000
17
0.00000
0.05684
0.00000
18
0.00000
0.05684
0.00000
19
0.00000
0.26655
0.00000
20
0.00000
0.26655
0.00000