Charge: 1
Inchi:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/q+1
Electronic States
Energy
(eV)
-539.72189
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)
0.07208 b
(cm-1)
0.01516 c
(cm-1)
0.01252
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
0.05108
0.00000
0.00000
2
-0.09008
-0.00449
0.00000
3
-0.09009
0.00449
0.00000
4
0.09008
-0.00449
0.00000
5
0.09009
0.00449
0.00000
6
-0.05108
0.00000
0.00000
7
-0.00966
-0.07821
0.00000
8
0.04342
0.05282
0.00000
9
-0.04343
0.05281
0.00000
10
0.00966
-0.07820
0.00000
11
-0.00966
0.07822
0.00000
12
0.04343
-0.05282
0.00000
13
-0.04343
-0.05282
0.00000
14
0.00966
0.07821
0.00000
15
0.05406
-0.00001
0.00000
16
-0.01388
-0.05830
0.00000
17
-0.00355
-0.03128
0.00000
18
0.00355
-0.03127
0.00000
19
0.01388
-0.05829
0.00000
20
-0.01388
0.05828
0.00000
21
-0.00355
0.03127
0.00000
22
0.00355
0.03127
0.00000
23
0.01388
0.05827
0.00000
24
-0.05406
-0.00001
0.00000