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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.74400
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.08226
2
0.00000
0.00000
-0.15603
3
0.02774
0.00000
0.02763
4
-0.02774
0.00000
0.02763
5
-0.10337
0.00000
0.02789
6
0.10337
0.00000
0.02789
7
0.00822
0.00000
-0.05994
8
-0.00822
0.00000
-0.05994
9
0.03597
0.00000
0.03136
10
-0.03597
0.00000
0.03136
11
0.02310
0.00000
-0.00352
12
-0.02310
0.00000
-0.00352
13
0.06611
0.00000
0.03776
14
-0.06611
0.00000
0.03776
15
-0.11183
0.00000
0.13708
16
0.11183
0.00000
0.13708
17
0.08370
0.00000
0.12341
18
-0.08370
0.00000
0.12341
19
-0.07113
0.00310
-0.06891
20
-0.07113
-0.00310
-0.06891
21
0.07113
0.00310
-0.06891
22
0.07113
-0.00310
-0.06891