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)
-462.67905
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04694 b
(cm-1)
0.03882 c
(cm-1)
0.02141
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.82674
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
1.20400
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.09045
0.00000
0.00000
2
0.06349
0.00000
0.00000
3
0.03795
0.00000
0.04515
4
0.03795
0.00000
-0.04515
5
0.02606
0.00000
0.09686
6
0.02606
0.00000
-0.09686
7
-0.08517
0.00000
-0.06392
8
-0.08517
0.00000
0.06392
9
-0.04112
0.00000
0.00198
10
-0.04112
0.00000
-0.00198
11
-0.01769
0.00000
0.04898
12
-0.01769
0.00000
-0.04898
13
0.00667
0.00000
0.10127
14
0.00667
0.00000
-0.10127
15
0.00901
0.00000
-0.21763
16
0.00901
0.00000
0.21763
17
-0.01418
0.00000
0.06408
18
-0.01418
0.00000
-0.06408
19
0.01712
0.00094
0.07767
20
0.01712
-0.00094
0.07767
21
0.01712
-0.00094
-0.07767
22
0.01712
0.00094
-0.07767