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)
-462.71585
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04692 b
(cm-1)
0.03973 c
(cm-1)
0.02169
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.33048
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.18100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.12494
0.00000
0.00000
2
-0.00803
0.00000
0.00000
3
-0.03184
-0.00001
0.06938
4
-0.03184
0.00001
-0.06938
5
0.02692
0.00000
0.00206
6
0.02692
0.00000
-0.00206
7
0.03648
0.00000
0.03406
8
0.03648
0.00000
-0.03406
9
0.00706
0.00000
-0.01982
10
0.00706
0.00000
0.01982
11
-0.00608
0.00002
0.00596
12
-0.00608
-0.00002
-0.00596
13
-0.10771
0.00000
-0.00668
14
-0.10771
0.00000
0.00668
15
0.30149
-0.00001
-0.40032
16
0.30149
0.00001
0.40032
17
0.02941
0.00000
0.01628
18
0.02941
0.00000
-0.01628
19
0.09054
-0.00621
0.06561
20
0.09029
0.00620
0.06549
21
0.09055
0.00621
-0.06561
22
0.09029
-0.00620
-0.06549