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)
0.45500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00100
2
0.00000
0.00000
0.00034
3
-0.00001
0.00000
-0.00007
4
0.00001
0.00000
-0.00007
5
-0.00218
0.00000
0.02634
6
0.00218
0.00000
0.02634
7
-0.02308
0.00000
-0.01471
8
0.02308
0.00000
-0.01471
9
0.03526
0.00000
-0.01979
10
-0.03526
0.00000
-0.01979
11
0.00101
0.00000
-0.00055
12
-0.00101
0.00000
-0.00055
13
0.02229
0.00000
-0.31271
14
-0.02229
0.00000
-0.31271
15
0.29043
0.00000
0.17671
16
-0.29043
0.00000
0.17671
17
-0.43716
0.00000
0.23281
18
0.43716
0.00000
0.23281
19
-0.00310
-0.00840
0.00584
20
-0.00310
0.00840
0.00584
21
0.00310
-0.00840
0.00584
22
0.00310
0.00840
0.00584