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)
-461.49413
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05061 b
(cm-1)
0.03995 c
(cm-1)
0.02232
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.29247
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-0.12600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.09534
2
0.00000
0.00000
-0.06484
3
0.01953
0.00000
-0.00922
4
-0.01953
0.00000
-0.00922
5
0.06663
0.00000
-0.01119
6
-0.06663
0.00000
-0.01119
7
-0.00448
0.00000
-0.05517
8
0.00448
0.00000
-0.05517
9
-0.00604
0.00000
0.08480
10
0.00604
0.00000
0.08480
11
0.05648
0.00000
0.00179
12
-0.05648
0.00000
0.00179
13
-0.30310
0.00000
-0.04056
14
0.30310
0.00000
-0.04056
15
-0.07015
0.00000
0.04775
16
0.07015
0.00000
0.04775
17
-0.17474
0.00000
-0.22936
18
0.17474
0.00000
-0.22936
19
-0.06673
0.00000
-0.09055
20
0.06673
0.00000
-0.09055