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)
0.18800
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.02300
Eigenvectors
#
X
Y
Z
1
0.00040
0.00000
0.00001
2
-0.00056
0.00000
0.00001
3
0.00168
0.00000
-0.00013
4
0.00160
0.00000
0.00012
5
-0.00049
0.00000
-0.00705
6
-0.00049
0.00000
0.00659
7
-0.04420
0.00000
-0.02682
8
-0.04146
0.00000
0.02516
9
0.02890
0.00000
-0.01318
10
0.02712
0.00000
0.01235
11
-0.00031
0.00000
0.00022
12
-0.00032
0.00000
-0.00021
13
-0.00466
0.00000
0.08017
14
-0.00433
0.00000
-0.07493
15
0.49877
0.00000
0.30715
16
0.46788
0.00000
-0.28812
17
-0.32195
0.00000
0.17361
18
-0.30196
0.00000
-0.16284
19
0.00029
0.00115
-0.00115
20
0.00029
-0.00115
-0.00115
21
0.00027
-0.00114
0.00117
22
0.00027
0.00114
0.00117