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)
0.16900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.03001
2
0.00000
0.00000
0.03706
3
0.00283
0.00000
-0.05643
4
-0.00283
0.00000
-0.05643
5
-0.01420
0.00000
-0.02529
6
0.01420
0.00000
-0.02529
7
0.01936
0.00000
-0.01582
8
-0.01936
0.00000
-0.01582
9
0.00832
0.00000
0.04771
10
-0.00832
0.00000
0.04771
11
0.01970
0.00000
0.03374
12
-0.01970
0.00000
0.03374
13
-0.32510
0.00000
-0.04555
14
0.32511
0.00000
-0.04555
15
0.10958
0.00000
-0.17169
16
-0.10958
0.00000
-0.17169
17
0.20287
0.00000
0.42495
18
-0.20287
0.00000
0.42495
19
-0.06455
-0.00004
-0.02901
20
-0.06455
0.00004
-0.02901
21
0.06455
-0.00004
-0.02901
22
0.06455
0.00004
-0.02901