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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-1.02700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00123
2
0.00000
0.00000
0.00025
3
0.00176
0.00000
-0.00160
4
-0.00176
0.00000
-0.00160
5
0.00208
0.00000
-0.03871
6
-0.00208
0.00000
-0.03871
7
-0.03838
0.00000
-0.02136
8
0.03838
0.00000
-0.02136
9
0.00376
0.00000
0.00084
10
-0.00376
0.00000
0.00084
11
0.00021
0.00000
-0.00008
12
-0.00021
0.00000
-0.00008
13
-0.02900
0.00000
0.44449
14
0.02899
0.00000
0.44449
15
0.43576
0.00000
0.25608
16
-0.43576
0.00000
0.25608
17
-0.03101
0.00000
0.01193
18
0.03101
0.00000
0.01193
19
-0.00035
-0.00207
0.00198
20
-0.00035
0.00207
0.00198
21
0.00035
-0.00207
0.00198
22
0.00035
0.00207
0.00198