Charge: 2
Inchi:1S/C12H8/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-8H/q+2
Electronic States
Energy
(eV)
-460.72462
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
D2h
Symmetry Elements
E
C2(z)
C2(y)
C2(x)
i
sigmah(xy)
sigmah(xz)
sigmah(yz)
Rotational Constants
(cm-1)
0.08750 b
(cm-1)
0.02328 c
(cm-1)
0.01839
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
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)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00181
0.00135
0.00000
2
0.00181
-0.00135
0.00000
3
0.00181
0.00135
0.00000
4
-0.00181
-0.00135
0.00000
5
0.04223
-0.00106
0.00000
6
-0.04221
0.00106
0.00000
7
-0.04222
-0.00106
0.00000
8
0.04221
0.00106
0.00000
9
0.00157
-0.00788
0.00000
10
-0.00157
0.00788
0.00000
11
-0.00157
-0.00788
0.00000
12
0.00157
0.00788
0.00000
13
-0.46809
0.01418
0.00000
14
0.46791
-0.01417
0.00000
15
0.46805
0.01418
0.00000
16
-0.46790
-0.01417
0.00000
17
-0.03602
0.07409
0.00000
18
0.03600
-0.07405
0.00000
19
0.03601
0.07408
0.00000
20
-0.03599
-0.07405
0.00000