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)
-462.45186
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04727 b
(cm-1)
0.03942 c
(cm-1)
0.02167
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.01975
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.09400
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05740
0.00000
0.00000
2
0.05824
0.00000
0.00000
3
-0.00756
0.00000
0.05926
4
-0.00756
0.00000
-0.05926
5
-0.01981
0.00000
0.02269
6
-0.01981
0.00000
-0.02269
7
0.06347
0.00000
-0.04702
8
0.06347
0.00000
0.04702
9
-0.04510
0.00000
-0.04101
10
-0.04510
0.00000
0.04101
11
0.02139
0.00000
-0.00250
12
0.02139
0.00000
0.00250
13
0.07764
0.00000
0.03598
14
0.07764
0.00000
-0.03598
15
-0.11483
0.00000
0.25600
16
-0.11483
0.00000
-0.25600
17
0.11559
0.00000
0.26710
18
0.11559
0.00000
-0.26710
19
-0.11555
0.13953
0.14591
20
-0.11555
-0.13953
0.14591
21
-0.11555
-0.13953
-0.14591
22
-0.11555
0.13953
-0.14591