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)
-0.15100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00019
2
0.00000
0.00000
-0.00018
3
-0.00045
0.00000
0.00079
4
0.00045
0.00000
0.00079
5
0.00273
0.00000
-0.03128
6
-0.00273
0.00000
-0.03128
7
0.02210
0.00000
0.01201
8
-0.02211
0.00000
0.01201
9
-0.03598
0.00000
0.01839
10
0.03599
0.00000
0.01839
11
-0.00013
0.00000
0.00011
12
0.00013
0.00000
0.00011
13
-0.02501
0.00000
0.37207
14
0.02501
0.00000
0.37213
15
-0.25656
0.00000
-0.14969
16
0.25660
0.00000
-0.14971
17
0.42634
0.00000
-0.21965
18
-0.42640
0.00000
-0.21968
19
0.00053
0.00183
-0.00150
20
0.00053
-0.00183
-0.00150
21
-0.00053
0.00183
-0.00150
22
-0.00053
-0.00183
-0.00150