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)
-460.74502
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05226 b
(cm-1)
0.03846 c
(cm-1)
0.02216
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.65729
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.23000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00785
0.00000
0.00000
2
-0.02170
0.00000
0.00000
3
-0.00514
0.00000
0.06005
4
-0.00514
0.00000
-0.06005
5
0.03049
0.00000
-0.03174
6
0.03049
0.00000
0.03174
7
0.04578
0.00000
-0.00354
8
0.04578
0.00000
0.00354
9
-0.06286
0.00000
0.06982
10
-0.06286
0.00000
-0.06982
11
-0.02635
0.00000
0.08353
12
-0.02635
0.00000
-0.08353
13
-0.02397
0.00000
-0.03509
14
-0.02397
0.00000
0.03509
15
-0.02519
0.00000
-0.13311
16
-0.02519
0.00000
0.13311
17
0.16063
0.00000
-0.35084
18
0.16063
0.00000
0.35084
19
0.18624
0.00000
-0.03641
20
0.18624
0.00000
0.03641