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)
-462.45186
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04727 b
(cm-1)
0.03942 c
(cm-1)
0.02167
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.01975
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
1.82200
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.08886
0.00000
0.00000
2
-0.01992
0.00000
0.00000
3
-0.06052
0.00000
0.09443
4
-0.06052
0.00000
-0.09443
5
0.00450
0.00000
-0.01232
6
0.00450
0.00000
0.01232
7
0.05414
0.00000
-0.00201
8
0.05414
0.00000
0.00201
9
0.02036
0.00000
0.00230
10
0.02036
0.00000
-0.00230
11
-0.01320
0.00000
-0.00446
12
-0.01320
0.00000
0.00446
13
-0.03338
0.00000
-0.01741
14
-0.03338
0.00000
0.01741
15
0.26274
0.00000
-0.33778
16
0.26274
0.00000
0.33778
17
0.04565
0.00000
0.04837
18
0.04565
0.00000
-0.04837
19
0.15480
-0.02034
0.08638
20
0.15480
0.02034
0.08638
21
0.15480
0.02034
-0.08638
22
0.15480
-0.02034
-0.08638