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)
0.27900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.06122
0.00000
0.00000
2
-0.04740
0.00000
0.00000
3
-0.02448
0.00000
-0.03597
4
-0.02448
0.00000
0.03598
5
-0.02270
0.00000
0.07183
6
-0.02269
0.00000
-0.07183
7
-0.01628
0.00000
0.05693
8
-0.01628
0.00000
-0.05694
9
-0.00853
0.00000
0.07655
10
-0.00853
0.00000
-0.07656
11
0.10323
0.00000
0.05694
12
0.10323
0.00000
-0.05694
13
0.01488
0.00000
0.07517
14
0.01489
0.00000
-0.07517
15
-0.04605
0.00000
0.10404
16
-0.04605
0.00000
-0.10405
17
-0.01699
0.00000
0.06248
18
-0.01699
0.00000
-0.06249
19
0.16136
-0.00257
0.09312
20
0.16136
0.00257
0.09312
21
0.16136
0.00257
-0.09312
22
0.16136
-0.00257
-0.09312