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)
-539.57243
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)
0.07136 b
(cm-1)
0.01501 c
(cm-1)
0.01240
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)
1.14400
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.02375
2
0.00000
0.00000
0.02375
3
0.00000
0.00000
0.02106
4
0.00000
0.00000
0.02106
5
0.00000
0.00000
0.02106
6
0.00000
0.00000
0.02106
7
0.00000
0.00000
-0.04258
8
0.00000
0.00000
-0.04258
9
0.00000
0.00000
-0.04258
10
0.00000
0.00000
-0.04258
11
0.00000
0.00000
-0.03146
12
0.00000
0.00000
-0.03146
13
0.00000
0.00000
-0.03146
14
0.00000
0.00000
-0.03146
15
0.00000
0.00000
-0.21826
16
0.00000
0.00000
-0.21826
17
0.00000
0.00000
0.25939
18
0.00000
0.00000
0.25939
19
0.00000
0.00000
0.25939
20
0.00000
0.00000
0.25939
21
0.00000
0.00000
0.33904
22
0.00000
0.00000
0.33904
23
0.00000
0.00000
0.33904
24
0.00000
0.00000
0.33904