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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-0.36400
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.01849
2
0.00000
0.00000
-0.02776
3
0.02610
0.00000
0.02604
4
-0.02610
0.00000
0.02604
5
0.06726
0.00000
0.05866
6
-0.06726
0.00000
0.05866
7
-0.03527
0.00000
-0.08147
8
0.03527
0.00000
-0.08147
9
-0.04026
0.00000
0.02930
10
0.04026
0.00000
0.02930
11
0.00333
0.00000
-0.01929
12
-0.00333
0.00000
-0.01929
13
0.31532
0.00000
0.07889
14
-0.31532
0.00000
0.07889
15
0.11425
0.00000
-0.33550
16
-0.11425
0.00000
-0.33550
17
-0.01387
0.00000
0.09022
18
0.01387
0.00000
0.09022
19
0.06668
0.00384
0.03197
20
0.06668
-0.00384
0.03197
21
-0.06668
0.00384
0.03197
22
-0.06668
-0.00384
0.03197