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)
-462.71585
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04692 b
(cm-1)
0.03973 c
(cm-1)
0.02169
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.33048
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.22900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.06852
0.00000
0.00000
2
0.04727
0.00000
0.00000
3
0.02077
0.00000
0.01504
4
0.02077
0.00000
-0.01503
5
0.02244
0.00000
0.07889
6
0.02244
0.00000
-0.07889
7
-0.05677
0.00000
-0.10573
8
-0.05677
0.00000
0.10573
9
-0.04430
0.00000
0.05035
10
-0.04430
0.00000
-0.05035
11
-0.01361
0.00000
0.02514
12
-0.01361
0.00000
-0.02514
13
0.14421
0.00000
0.09245
14
0.14421
0.00000
-0.09245
15
0.04748
0.00000
-0.29446
16
0.04748
0.00000
0.29446
17
-0.02274
0.00000
0.10941
18
-0.02274
0.00000
-0.10941
19
-0.00367
-0.00432
0.02575
20
-0.00367
0.00432
0.02575
21
-0.00368
0.00432
-0.02575
22
-0.00368
-0.00432
-0.02575