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)
-0.22800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.10404
2
0.00000
0.00000
0.09075
3
0.02342
0.00000
-0.09182
4
-0.02342
0.00000
-0.09182
5
0.01126
0.00000
-0.04951
6
-0.01126
0.00000
-0.04952
7
0.01705
0.00000
-0.03125
8
-0.01705
0.00000
-0.03125
9
-0.03540
0.00000
0.02116
10
0.03540
0.00000
0.02116
11
0.03089
0.00000
0.03484
12
-0.03089
0.00000
0.03484
13
0.25689
0.00000
-0.03492
14
-0.25690
0.00000
-0.03492
15
-0.16931
0.00000
0.27537
16
0.16931
0.00000
0.27537
17
-0.01681
0.00000
0.06067
18
0.01680
0.00000
0.06067
19
-0.05254
-0.00457
-0.03625
20
-0.05254
0.00457
-0.03625
21
0.05254
-0.00457
-0.03625
22
0.05254
0.00457
-0.03625