Charge: 2
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q+2
Electronic States
Energy
(eV)
-461.21366
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05139 b
(cm-1)
0.03981 c
(cm-1)
0.02243
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.36522
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)
-0.45400
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.04605
2
0.00000
0.00000
0.08744
3
0.06852
0.00000
-0.02323
4
-0.06852
0.00000
-0.02323
5
0.00778
0.00000
0.07377
6
-0.00778
0.00000
0.07377
7
0.10815
0.00000
-0.03273
8
-0.10815
0.00000
-0.03273
9
0.08385
0.00000
-0.03381
10
-0.08385
0.00000
-0.03381
11
-0.01256
0.00000
-0.04469
12
0.01256
0.00000
-0.04469
13
-0.06077
0.00000
0.06923
14
0.06077
0.00000
0.06923
15
0.10530
0.00000
-0.02413
16
-0.10530
0.00000
-0.02413
17
0.04726
0.00000
-0.10631
18
-0.04726
0.00000
-0.10631
19
0.03611
0.00000
-0.01086
20
-0.03611
0.00000
-0.01086