Charge: 2
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q+2
Electronic States
Energy
(eV)
-461.21366
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05139 b
(cm-1)
0.03981 c
(cm-1)
0.02243
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.36522
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.61500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00040
0.00000
0.00000
2
-0.00018
0.00000
0.00000
3
0.00014
0.00000
-0.00225
4
0.00014
0.00000
0.00225
5
-0.00008
0.00000
-0.00053
6
-0.00008
0.00000
0.00053
7
0.00667
0.00000
0.00462
8
0.00667
0.00000
-0.00462
9
0.00516
0.00000
-0.00284
10
0.00516
0.00000
0.00284
11
0.03143
0.00000
-0.04934
12
0.03143
0.00000
0.04934
13
-0.00014
0.00000
0.00495
14
-0.00014
0.00000
-0.00495
15
-0.07959
0.00000
-0.04697
16
-0.07959
0.00000
0.04697
17
-0.05967
0.00000
0.03160
18
-0.05967
0.00000
-0.03160
19
-0.37302
0.00000
0.54939
20
-0.37302
0.00000
-0.54939