Charge: 2
Inchi:1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2/q+2
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)
0.61800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00617
2
0.00000
0.00000
0.01469
3
-0.11071
0.00000
0.05096
4
0.11071
0.00000
0.05096
5
0.06849
0.00000
0.01899
6
-0.06849
0.00000
0.01899
7
0.09350
0.00000
-0.05968
8
-0.09350
0.00000
-0.05968
9
-0.06184
0.00000
-0.02900
10
0.06184
0.00000
-0.02900
11
-0.01004
0.00000
-0.01359
12
0.01004
0.00000
-0.01359
13
-0.08036
0.00000
0.01640
14
0.08036
0.00000
0.01640
15
-0.02753
0.00000
0.16481
16
0.02753
0.00000
0.16481
17
0.01253
0.00000
0.12861
18
-0.01253
0.00000
0.12861
19
0.01552
0.00386
0.01213
20
0.01552
-0.00386
0.01213
21
-0.01552
0.00386
0.01213
22
-0.01552
-0.00386
0.01213