Charge: 2
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q+2
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)
1.08200
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.06289
0.00000
0.00000
2
0.06192
0.00000
0.00000
3
-0.05720
0.00000
0.03697
4
-0.05720
0.00000
-0.03697
5
-0.05008
0.00000
-0.03580
6
-0.05008
0.00000
0.03580
7
0.01405
0.00000
-0.06922
8
0.01405
0.00000
0.06922
9
-0.01894
0.00000
0.10426
10
-0.01894
0.00000
-0.10426
11
0.00938
0.00000
0.01241
12
0.00938
0.00000
-0.01241
13
0.20751
0.00000
-0.06642
14
0.20751
0.00000
0.06642
15
0.10870
0.00000
0.06948
16
0.10870
0.00000
-0.06948
17
0.17242
0.00000
-0.24249
18
0.17242
0.00000
0.24249
19
-0.00764
0.00000
0.02671
20
-0.00764
0.00000
-0.02671