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)
-461.99787
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04750 b
(cm-1)
0.03894 c
(cm-1)
0.02157
Dipole Moments
mu_x(Debye)
0.00002 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.19779
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.88500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00100
Eigenvectors
#
X
Y
Z
1
0.04413
0.00000
-0.00001
2
-0.08895
0.00000
0.00000
3
0.00896
0.00000
-0.05919
4
0.00899
0.00000
0.05921
5
0.04741
0.00000
-0.01304
6
0.04740
0.00000
0.01306
7
-0.05638
0.00000
0.08537
8
-0.05642
0.00000
-0.08538
9
0.02691
0.00000
-0.00694
10
0.02694
0.00000
0.00690
11
-0.01883
0.00000
-0.00884
12
-0.01883
0.00000
0.00883
13
-0.11153
0.00000
-0.03031
14
-0.11153
0.00000
0.03033
15
0.17423
0.00000
-0.28645
16
0.17428
0.00000
0.28658
17
-0.07883
0.00000
-0.21151
18
-0.07892
0.00000
0.21170
19
0.09345
-0.09730
-0.08281
20
0.09345
0.09730
-0.08281
21
0.09344
0.09730
0.08281
22
0.09344
-0.09730
0.08281