Charge: 1
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q+1
Electronic States
Energy
(eV)
-460.74533
Description
T0
Multiplicity
3
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05095 b
(cm-1)
0.03935 c
(cm-1)
0.02220
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.10117
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
1.32100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.04327
0.00000
0.00000
2
-0.04503
0.00000
0.00000
3
-0.00717
0.00000
0.02362
4
-0.00717
0.00000
-0.02362
5
-0.06392
0.00000
0.07745
6
-0.06392
0.00000
-0.07745
7
0.01390
0.00000
-0.06771
8
0.01390
0.00000
0.06771
9
0.10107
0.00000
0.01532
10
0.10107
0.00000
-0.01532
11
0.01812
0.00000
0.03935
12
0.01812
0.00000
-0.03935
13
-0.21187
0.00000
0.09762
14
-0.21187
0.00000
-0.09762
15
-0.08693
0.00000
-0.23670
16
-0.08693
0.00000
0.23670
17
0.12455
0.00000
-0.01072
18
0.12455
0.00000
0.01072
19
-0.03831
0.00000
0.08259
20
-0.03831
0.00000
-0.08259