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)
1.22400
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.01688
2
0.00000
0.00000
0.14060
3
-0.04606
0.00000
-0.10959
4
0.04606
0.00000
-0.10959
5
0.03891
0.00000
-0.04079
6
-0.03891
0.00000
-0.04079
7
0.04281
0.00000
0.00654
8
-0.04281
0.00000
0.00654
9
-0.03812
0.00000
0.00317
10
0.03812
0.00000
0.00317
11
0.06323
0.00000
0.06384
12
-0.06323
0.00000
0.06384
13
0.10973
0.00000
-0.03882
14
-0.10973
0.00000
-0.03882
15
0.09003
0.00000
-0.07100
16
-0.09003
0.00000
-0.07100
17
0.00229
0.00000
0.08447
18
-0.00229
0.00000
0.08447
19
-0.03020
0.00000
0.00270
20
0.03020
0.00000
0.00270