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)
-0.74700
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.08469
0.00000
0.00000
2
0.07680
0.00000
0.00000
3
0.09567
0.00000
0.07306
4
0.09567
0.00000
-0.07306
5
-0.06661
0.00000
0.01070
6
-0.06661
0.00000
-0.01070
7
-0.05185
0.00000
-0.03939
8
-0.05185
0.00000
0.03939
9
0.03929
0.00000
-0.01420
10
0.03929
0.00000
0.01420
11
-0.03751
0.00000
0.06511
12
-0.03751
0.00000
-0.06511
13
0.12440
0.00000
-0.00294
14
0.12440
0.00000
0.00294
15
0.03045
0.00000
0.10744
16
0.03045
0.00000
-0.10744
17
0.00139
0.00000
0.06469
18
0.00139
0.00000
-0.06469
19
0.14082
0.00000
-0.03325
20
0.14082
0.00000
0.03325