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)
-461.99787
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04750 b
(cm-1)
0.03894 c
(cm-1)
0.02157
Dipole Moments
mu_x(Debye)
0.00002 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.19779
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-1.04600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.05046
0.00000
0.00000
2
0.11401
0.00000
0.00000
3
-0.04245
0.00000
-0.03874
4
-0.04245
0.00000
0.03874
5
-0.08636
0.00000
0.03134
6
-0.08636
0.00000
-0.03134
7
-0.00311
0.00000
0.07260
8
-0.00311
0.00000
-0.07259
9
0.00475
0.00000
-0.08311
10
0.00475
0.00000
0.08310
11
0.00286
0.00000
-0.00622
12
0.00286
0.00000
0.00621
13
0.21423
0.00000
0.06441
14
0.21422
0.00000
-0.06441
15
0.11259
0.00000
-0.09928
16
0.11259
0.00000
0.09928
17
0.14044
0.00000
0.14644
18
0.14043
0.00000
-0.14644
19
0.01682
-0.02477
-0.03370
20
0.01682
0.02477
-0.03370
21
0.01682
0.02477
0.03370
22
0.01682
-0.02477
0.03370