Charge: 1
Inchi:1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2/q+1
Electronic States
Energy
(eV)
-462.67905
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04694 b
(cm-1)
0.03882 c
(cm-1)
0.02141
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.82674
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-1.49400
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00048
0.00000
0.00000
2
0.00099
0.00000
0.00000
3
0.00121
0.00000
-0.00209
4
0.00121
0.00000
0.00209
5
-0.00016
0.00000
0.00047
6
-0.00016
0.00000
-0.00047
7
0.00105
0.00000
0.00140
8
0.00105
0.00000
-0.00140
9
-0.00047
0.00000
-0.00082
10
-0.00047
0.00000
0.00082
11
-0.02754
0.00000
0.03550
12
-0.02754
0.00000
-0.03550
13
-0.00032
0.00000
0.00292
14
-0.00032
0.00000
-0.00292
15
-0.01793
0.00000
-0.01122
16
-0.01793
0.00000
0.01122
17
0.00577
0.00000
-0.00245
18
0.00577
0.00000
0.00245
19
0.15614
0.40573
-0.21618
20
0.15614
-0.40573
-0.21618
21
0.15614
-0.40573
0.21618
22
0.15614
0.40573
0.21618