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)
-0.67000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00002
0.00000
0.00000
2
-0.00390
0.00000
0.00000
3
0.00072
0.00000
-0.00084
4
0.00072
0.00000
0.00084
5
0.00348
0.00000
-0.04108
6
0.00348
0.00000
0.04108
7
-0.03372
0.00000
-0.02059
8
-0.03372
0.00000
0.02059
9
-0.00433
0.00000
0.00383
10
-0.00433
0.00000
-0.00383
11
-0.00079
0.00000
0.00018
12
-0.00079
0.00000
-0.00018
13
-0.03024
0.00000
0.48081
14
-0.03024
0.00000
-0.48081
15
0.40080
0.00000
0.24341
16
0.40080
0.00000
-0.24341
17
0.05873
0.00000
-0.03441
18
0.05873
0.00000
0.03441
19
0.00320
0.00732
-0.00420
20
0.00320
-0.00732
-0.00420
21
0.00320
-0.00732
0.00420
22
0.00320
0.00732
0.00420