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)
0.00000
Diff mu Y
(Debye)
-0.40700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.12542
0.00000
2
0.00000
0.02816
0.00000
3
0.00000
0.08962
0.00000
4
0.00000
0.08962
0.00000
5
0.00000
-0.06372
0.00000
6
0.00000
-0.06372
0.00000
7
0.00000
0.05393
0.00000
8
0.00000
0.05393
0.00000
9
0.00000
-0.02589
0.00000
10
0.00000
-0.02589
0.00000
11
0.00000
-0.08227
0.00000
12
0.00000
-0.08227
0.00000
13
0.00000
-0.17421
0.00000
14
0.00000
-0.17421
0.00000
15
0.00000
0.02253
0.00000
16
0.00000
0.02253
0.00000
17
0.00000
-0.09412
0.00000
18
0.00000
-0.09412
0.00000
19
0.00795
-0.16560
-0.13391
20
-0.00795
-0.16560
0.13391
21
-0.00795
-0.16560
-0.13391
22
0.00795
-0.16560
0.13391