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)
-0.78600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.08471
0.00000
0.00000
2
-0.03785
0.00000
0.00000
3
-0.01867
0.00000
-0.06337
4
-0.01867
0.00000
0.06337
5
-0.00075
0.00000
-0.07571
6
-0.00075
0.00000
0.07571
7
-0.02867
0.00000
0.05540
8
-0.02867
0.00000
-0.05540
9
0.07652
0.00000
0.04668
10
0.07652
0.00000
-0.04668
11
0.04148
0.00000
0.09550
12
0.04148
0.00000
-0.09550
13
-0.06964
0.00000
-0.07206
14
-0.06964
0.00000
0.07206
15
-0.04076
0.00000
0.03602
16
-0.04076
0.00000
-0.03602
17
0.06714
0.00000
0.07045
18
0.06714
0.00000
-0.07045
19
-0.05958
0.00000
0.16601
20
-0.05958
0.00000
-0.16601