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)
-461.99787
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04750 b
(cm-1)
0.03894 c
(cm-1)
0.02157
Dipole Moments
mu_x(Debye)
0.00002 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.19779
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)
2.82500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00075
2
0.00000
0.00000
0.00006
3
-0.00116
0.00000
-0.00028
4
0.00116
0.00000
-0.00028
5
-0.00076
0.00000
-0.00059
6
0.00076
0.00000
-0.00059
7
0.00044
0.00000
-0.00061
8
-0.00044
0.00000
-0.00061
9
0.00082
0.00000
0.00066
10
-0.00082
0.00000
0.00066
11
0.03025
0.00000
-0.03711
12
-0.03024
0.00000
-0.03711
13
0.00024
0.00000
0.00079
14
-0.00024
0.00000
0.00079
15
-0.00057
0.00000
-0.00063
16
0.00057
0.00000
-0.00064
17
-0.00094
0.00000
0.00020
18
0.00094
0.00000
0.00020
19
-0.17364
-0.39301
0.22320
20
-0.17364
0.39301
0.22320
21
0.17361
-0.39294
0.22317
22
0.17361
0.39295
0.22317