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)
-462.67905
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04694 b
(cm-1)
0.03882 c
(cm-1)
0.02141
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.82674
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)
0.43500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.04193
2
0.00000
0.00000
0.08481
3
0.06946
0.00000
-0.02829
4
-0.06946
0.00000
-0.02829
5
0.00680
0.00000
0.07791
6
-0.00680
0.00000
0.07791
7
0.11076
0.00000
-0.02684
8
-0.11076
0.00000
-0.02684
9
0.07794
0.00000
-0.02871
10
-0.07794
0.00000
-0.02871
11
-0.01711
0.00000
-0.04828
12
0.01711
0.00000
-0.04828
13
-0.06100
0.00000
0.07300
14
0.06100
0.00000
0.07300
15
0.10594
0.00000
-0.01904
16
-0.10594
0.00000
-0.01904
17
0.03710
0.00000
-0.10593
18
-0.03710
0.00000
-0.10593
19
0.00786
0.00060
-0.02858
20
0.00786
-0.00060
-0.02858
21
-0.00786
0.00060
-0.02858
22
-0.00786
-0.00060
-0.02858