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)
-1.14300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00031
0.00000
0.00000
2
-0.00031
0.00000
0.00000
3
0.00044
0.00000
0.00053
4
0.00044
0.00000
-0.00053
5
0.00023
0.00000
0.00091
6
0.00023
0.00000
-0.00091
7
-0.00377
0.00000
-0.00236
8
-0.00377
0.00000
0.00236
9
-0.00130
0.00000
0.00198
10
-0.00130
0.00000
-0.00198
11
0.02875
0.00000
-0.03676
12
0.02875
0.00000
0.03676
13
-0.00037
0.00000
-0.00971
14
-0.00037
0.00000
0.00971
15
0.03574
0.00000
0.02177
16
0.03574
0.00000
-0.02177
17
0.01296
0.00000
-0.00790
18
0.01296
0.00000
0.00790
19
-0.16735
-0.39654
0.22055
20
-0.16735
0.39654
0.22055
21
-0.16735
0.39654
-0.22055
22
-0.16735
-0.39654
-0.22055