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)
1.96800
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02504
0.00000
0.00000
2
0.00756
0.00000
0.00000
3
-0.06812
0.00000
0.13704
4
-0.06813
0.00000
-0.13704
5
0.00158
0.00000
0.00725
6
0.00158
0.00000
-0.00725
7
0.03849
0.00000
0.00641
8
0.03849
0.00000
-0.00641
9
0.01426
0.00000
-0.02676
10
0.01427
0.00000
0.02676
11
-0.01829
0.00000
0.02132
12
-0.01829
0.00000
-0.02132
13
-0.06908
0.00000
0.00168
14
-0.06908
0.00000
-0.00168
15
0.13679
0.00000
-0.13926
16
0.13679
0.00000
0.13926
17
-0.01843
0.00000
-0.09353
18
-0.01843
0.00000
0.09353
19
0.21836
-0.04804
0.10511
20
0.21836
0.04804
0.10511
21
0.21835
0.04804
-0.10511
22
0.21835
-0.04804
-0.10511