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)
-0.45000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.12758
0.00000
0.00000
2
-0.01412
0.00000
0.00000
3
-0.02989
0.00000
-0.04448
4
-0.02989
0.00000
0.04448
5
0.04970
0.00000
-0.01917
6
0.04970
0.00000
0.01917
7
0.06136
0.00000
-0.00456
8
0.06136
0.00000
0.00456
9
-0.05392
0.00000
0.00823
10
-0.05392
0.00000
-0.00823
11
0.02728
0.00000
-0.05356
12
0.02728
0.00000
0.05356
13
0.33032
0.00000
0.00099
14
0.33032
0.00000
-0.00099
15
0.11485
0.00000
-0.10215
16
0.11485
0.00000
0.10215
17
-0.11942
0.00000
-0.12164
18
-0.11942
0.00000
0.12164
19
-0.13152
0.00000
-0.16560
20
-0.13152
0.00000
0.16560