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)
-1.52800
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00049
0.00000
0.00000
2
0.00174
0.00000
0.00000
3
0.00112
0.00000
-0.00055
4
0.00112
0.00000
0.00055
5
-0.00113
0.00000
0.03308
6
-0.00113
0.00000
-0.03308
7
-0.02399
0.00000
-0.01646
8
-0.02399
0.00000
0.01646
9
-0.03475
0.00000
0.01900
10
-0.03475
0.00000
-0.01900
11
-0.00061
0.00000
0.00026
12
-0.00061
0.00000
-0.00026
13
0.02235
0.00000
-0.38282
14
0.02235
0.00000
0.38282
15
0.27976
0.00000
0.17297
16
0.27976
0.00000
-0.17297
17
0.39406
0.00000
-0.20904
18
0.39406
0.00000
0.20904
19
0.00161
0.00474
-0.00226
20
0.00161
-0.00474
-0.00226
21
0.00161
-0.00474
0.00226
22
0.00161
0.00474
0.00226