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)
0.10500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.09364
0.00000
0.00000
2
0.02810
0.00000
0.00000
3
-0.07699
0.00000
0.08892
4
-0.07699
0.00000
-0.08892
5
0.05631
0.00000
-0.01443
6
0.05631
0.00000
0.01443
7
-0.05931
0.00000
0.01617
8
-0.05931
0.00000
-0.01617
9
0.05606
0.00000
0.00279
10
0.05606
0.00000
-0.00279
11
0.04436
0.00000
-0.07026
12
0.04436
0.00000
0.07026
13
0.03948
0.00000
-0.01328
14
0.03949
0.00000
0.01328
15
-0.11688
0.00000
-0.07714
16
-0.11688
0.00000
0.07714
17
0.07696
0.00000
-0.03602
18
0.07696
0.00000
0.03603
19
0.14760
0.00000
-0.13856
20
0.14760
0.00000
0.13856