Charge: 2
Inchi:1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2/q+2
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)
-0.50700
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05843
0.00000
0.00000
2
0.03366
0.00000
0.00000
3
-0.00497
0.00000
0.06038
4
-0.00497
0.00000
-0.06038
5
0.00171
0.00000
0.02277
6
0.00171
0.00000
-0.02277
7
0.07383
0.00000
-0.06583
8
0.07383
0.00000
0.06583
9
-0.05560
0.00000
-0.03376
10
-0.05560
0.00000
0.03376
11
-0.01736
0.00000
0.01526
12
-0.01736
0.00000
-0.01526
13
0.03009
0.00000
0.03137
14
0.03009
0.00000
-0.03137
15
-0.16005
0.00000
0.31928
16
-0.16005
0.00000
-0.31928
17
0.10655
0.00000
0.27398
18
0.10655
0.00000
-0.27398
19
0.09963
-0.06588
-0.02739
20
0.09963
0.06588
-0.02739
21
0.09963
0.06588
0.02739
22
0.09963
-0.06588
0.02739