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)
-0.24900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.11983
2
0.00000
0.00000
-0.03192
3
-0.07820
0.00000
-0.03385
4
0.07820
0.00000
-0.03385
5
0.00581
0.00000
-0.04105
6
-0.00581
0.00000
-0.04105
7
0.01642
0.00000
-0.02535
8
-0.01642
0.00000
-0.02535
9
0.04099
0.00000
0.09338
10
-0.04099
0.00000
0.09338
11
-0.01210
0.00000
0.00049
12
0.01210
0.00000
0.00049
13
-0.16857
0.00000
-0.05872
14
0.16857
0.00000
-0.05872
15
0.07582
0.00000
-0.13181
16
-0.07582
0.00000
-0.13181
17
-0.14500
0.00000
-0.27266
18
0.14500
0.00000
-0.27266
19
0.06770
-0.02806
0.00793
20
0.06770
0.02806
0.00793
21
-0.06770
-0.02806
0.00794
22
-0.06770
0.02806
0.00794