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)
-462.45186
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04727 b
(cm-1)
0.03942 c
(cm-1)
0.02167
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.01975
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
1.59700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00078
2
0.00000
0.00000
-0.00065
3
-0.00039
0.00000
0.00046
4
0.00039
0.00000
0.00046
5
-0.00063
0.00000
0.00352
6
0.00063
0.00000
0.00352
7
0.00237
0.00000
0.00004
8
-0.00237
0.00000
0.00004
9
-0.00182
0.00000
0.00023
10
0.00182
0.00000
0.00023
11
0.02983
0.00000
-0.03638
12
-0.02983
0.00000
-0.03638
13
0.00299
0.00000
-0.03081
14
-0.00299
0.00000
-0.03081
15
-0.02105
0.00000
-0.01100
16
0.02105
0.00000
-0.01100
17
0.01579
0.00000
-0.00644
18
-0.01579
0.00000
-0.00644
19
-0.16849
-0.39648
0.21967
20
-0.16849
0.39648
0.21967
21
0.16849
-0.39648
0.21967
22
0.16849
0.39648
0.21967