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)
0.01700
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00092
0.00000
0.00000
2
-0.00270
0.00000
0.00000
3
-0.00007
0.00000
-0.00037
4
-0.00007
0.00000
0.00037
5
0.00408
0.00000
0.05841
6
0.00408
0.00000
-0.05841
7
0.00133
0.00000
-0.00026
8
0.00133
0.00000
0.00026
9
-0.00789
0.00000
-0.00704
10
-0.00789
0.00000
0.00704
11
0.00002
0.00000
-0.00033
12
0.00002
0.00000
0.00033
13
-0.04840
0.00000
-0.66009
14
-0.04840
0.00000
0.66008
15
-0.01045
0.00000
0.00594
16
-0.01045
0.00000
-0.00593
17
0.10936
0.00000
0.06101
18
0.10936
0.00000
-0.06101
19
0.00106
0.00000
0.00163
20
0.00106
0.00000
-0.00163