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)
-0.70800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.01348
2
0.00000
0.00000
-0.01046
3
0.00256
0.00000
-0.03056
4
-0.00256
0.00000
-0.03056
5
-0.00484
0.00000
0.01343
6
0.00484
0.00000
0.01343
7
-0.00292
0.00000
-0.00075
8
0.00292
0.00000
-0.00075
9
-0.01721
0.00000
0.01843
10
0.01721
0.00000
0.01843
11
-0.16882
0.00000
0.01999
12
0.16882
0.00000
0.01999
13
0.02679
0.00000
0.01694
14
-0.02679
0.00000
0.01694
15
-0.01323
0.00000
0.01459
16
0.01323
0.00000
0.01459
17
-0.02572
0.00000
0.00642
18
0.02572
0.00000
0.00642
19
-0.24098
-0.02190
-0.06997
20
-0.24098
0.02190
-0.06997
21
0.24098
-0.02190
-0.06997
22
0.24098
0.02190
-0.06997