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)
0.46600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.06525
0.00000
0.00000
2
-0.07386
0.00000
0.00000
3
0.07900
0.00000
-0.02841
4
0.07900
0.00000
0.02841
5
0.08207
0.00000
0.01954
6
0.08207
0.00000
-0.01954
7
-0.02662
0.00000
0.06757
8
-0.02662
0.00000
-0.06757
9
-0.04640
0.00000
-0.07705
10
-0.04640
0.00000
0.07705
11
-0.02658
0.00000
-0.03108
12
-0.02658
0.00000
0.03108
13
-0.16672
0.00000
0.00331
14
-0.16672
0.00000
-0.00331
15
0.02931
0.00000
-0.02016
16
0.02931
0.00000
0.02016
17
0.07854
0.00000
0.15712
18
0.07854
0.00000
-0.15712
19
0.07759
0.02430
0.09340
20
0.07759
-0.02430
0.09340
21
0.07759
-0.02430
-0.09340
22
0.07759
0.02430
-0.09340