Charge: 2
Inchi:1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2/q+2
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)
0.72900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.07463
0.00000
0.00000
2
0.01108
0.00000
0.00000
3
0.06624
0.00000
-0.11817
4
0.06624
0.00000
0.11817
5
0.00479
0.00000
0.00263
6
0.00479
0.00000
-0.00263
7
-0.04600
0.00000
-0.01504
8
-0.04600
0.00000
0.01504
9
-0.04032
0.00000
0.01494
10
-0.04032
0.00000
-0.01494
11
0.00182
0.00000
-0.03663
12
0.00182
0.00000
0.03663
13
0.09857
0.00000
0.01147
14
0.09857
0.00000
-0.01147
15
-0.23645
0.00000
0.28761
16
-0.23645
0.00000
-0.28761
17
-0.02335
0.00000
0.05218
18
-0.02335
0.00000
-0.05218
19
-0.09429
0.01896
-0.06001
20
-0.09429
-0.01896
-0.06001
21
-0.09429
-0.01896
0.06001
22
-0.09429
0.01896
0.06001