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)
-1.29900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00105
2
0.00000
0.00000
-0.00041
3
0.00101
0.00000
-0.00201
4
-0.00101
0.00000
-0.00201
5
0.00249
0.00000
-0.03367
6
-0.00249
0.00000
-0.03367
7
-0.03870
0.00000
-0.02376
8
0.03870
0.00000
-0.02376
9
-0.00827
0.00000
0.00621
10
0.00827
0.00000
0.00621
11
0.00110
0.00000
-0.00111
12
-0.00110
0.00000
-0.00111
13
-0.02736
0.00000
0.40253
14
0.02736
0.00000
0.40253
15
0.45309
0.00000
0.27617
16
-0.45309
0.00000
0.27617
17
0.09426
0.00000
-0.05291
18
-0.09426
0.00000
-0.05291
19
-0.00514
-0.01402
0.00869
20
-0.00514
0.01402
0.00869
21
0.00514
-0.01402
0.00869
22
0.00514
0.01402
0.00869