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)
-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)
0.43400
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03594
0.00000
0.00000
2
-0.06274
0.00000
0.00000
3
0.00774
0.00000
-0.06199
4
0.00774
0.00000
0.06199
5
-0.02769
0.00000
0.08313
6
-0.02769
0.00000
-0.08313
7
0.09567
0.00000
-0.02583
8
0.09567
0.00000
0.02583
9
0.06200
0.00000
-0.01788
10
0.06200
0.00000
0.01788
11
-0.08042
0.00000
0.05712
12
-0.08042
0.00000
-0.05713
13
-0.05019
0.00000
0.08230
14
-0.05019
0.00000
-0.08230
15
0.07688
0.00000
0.00792
16
0.07688
0.00000
-0.00792
17
0.00994
0.00000
-0.11682
18
0.00994
0.00000
0.11682
19
-0.06574
-0.00666
0.05919
20
-0.06574
0.00666
0.05919
21
-0.06574
0.00666
-0.05919
22
-0.06574
-0.00666
-0.05919