Charge: 1
Inchi:1S/C12H8/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-8H/q+1
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
0.02843
0.02416
0.00000
2
-0.02843
-0.02415
0.00000
3
0.02844
-0.02415
0.00000
4
-0.02844
0.02414
0.00000
5
-0.04591
-0.04209
0.00000
6
0.04591
0.04209
0.00000
7
-0.04591
0.04208
0.00000
8
0.04591
-0.04208
0.00000
9
0.10253
0.04227
0.00000
10
-0.10254
-0.04227
0.00000
11
0.10254
-0.04227
0.00000
12
-0.10254
0.04227
0.00000
13
-0.05107
0.00564
0.00000
14
0.05107
-0.00563
0.00000
15
-0.05108
-0.00562
0.00000
16
0.05108
0.00561
0.00000
17
-0.16522
-0.09433
0.00000
18
0.16523
0.09433
0.00000
19
-0.16525
0.09435
0.00000
20
0.16526
-0.09435
0.00000