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)
0.15600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.08707
0.00000
0.00000
2
0.04148
0.00000
0.00000
3
0.01716
0.00000
0.05116
4
0.01716
0.00000
-0.05116
5
-0.01214
0.00000
0.00337
6
-0.01214
0.00000
-0.00337
7
0.04208
0.00000
-0.05226
8
0.04208
0.00000
0.05226
9
-0.01937
0.00000
0.00299
10
-0.01937
0.00000
-0.00299
11
-0.03394
0.00000
0.03922
12
-0.03394
0.00000
-0.03922
13
0.02631
0.00000
0.00906
14
0.02631
0.00000
-0.00906
15
-0.09766
0.00000
0.19113
16
-0.09767
0.00000
-0.19113
17
0.02617
0.00000
0.09744
18
0.02617
0.00000
-0.09743
19
0.19534
-0.22366
-0.20075
20
0.19534
0.22366
-0.20075
21
0.19534
0.22366
0.20075
22
0.19534
-0.22366
0.20075