Charge: 0
Inchi:1S/C12H8/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-8H
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)
0.00100
Diff mu Y
(Debye)
0.66800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00069
0.00157
0.00000
2
-0.00069
0.00157
0.00000
3
0.00069
0.00157
0.00000
4
0.00069
0.00157
0.00000
5
0.04105
-0.00061
0.00000
6
0.04106
-0.00061
0.00000
7
-0.04109
-0.00061
0.00000
8
-0.04110
-0.00061
0.00000
9
0.00490
-0.01264
0.00000
10
0.00490
-0.01265
0.00000
11
-0.00491
-0.01265
0.00000
12
-0.00491
-0.01265
0.00000
13
-0.45327
0.01355
0.00000
14
-0.45344
0.01355
0.00000
15
0.45375
0.01356
0.00000
16
0.45390
0.01357
0.00000
17
-0.06344
0.12560
0.00000
18
-0.06345
0.12563
0.00000
19
0.06347
0.12567
0.00000
20
0.06348
0.12569
0.00000