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)
1.03500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.04947
2
0.00000
0.00000
-0.01082
3
0.04539
0.00000
0.04372
4
-0.04539
0.00000
0.04372
5
0.08739
0.00000
0.03854
6
-0.08739
0.00000
0.03854
7
-0.03880
0.00000
-0.06458
8
0.03880
0.00000
-0.06458
9
-0.05382
0.00000
0.01194
10
0.05382
0.00000
0.01194
11
-0.01335
0.00000
-0.04344
12
0.01335
0.00000
-0.04344
13
0.32433
0.00000
0.06002
14
-0.32434
0.00000
0.06002
15
0.07674
0.00000
-0.26383
16
-0.07675
0.00000
-0.26384
17
-0.01994
0.00000
0.08730
18
0.01995
0.00000
0.08730
19
0.03541
0.01518
0.02540
20
0.03541
-0.01518
0.02540
21
-0.03541
0.01518
0.02540
22
-0.03541
-0.01518
0.02541