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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.05600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.07413
2
0.00000
0.00000
0.07326
3
0.01946
0.00000
0.04409
4
-0.01946
0.00000
0.04409
5
-0.07676
0.00000
-0.01543
6
0.07677
0.00000
-0.01542
7
-0.01516
0.00000
-0.07562
8
0.01516
0.00000
-0.07562
9
-0.06078
0.00000
-0.08280
10
0.06078
0.00000
-0.08279
11
-0.01314
0.00000
0.06702
12
0.01313
0.00000
0.06702
13
-0.17381
0.00000
-0.02206
14
0.17381
0.00000
-0.02206
15
0.02485
0.00000
-0.14092
16
-0.02485
0.00000
-0.14091
17
-0.07553
0.00000
-0.10902
18
0.07553
0.00000
-0.10902
19
-0.00450
-0.00149
0.07075
20
-0.00450
0.00149
0.07075
21
0.00449
-0.00149
0.07075
22
0.00449
0.00149
0.07075