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)
1.36200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.02563
2
0.00000
0.00000
0.01988
3
0.00000
0.00000
0.01988
4
0.00000
0.00000
0.01988
5
0.00000
0.00000
0.01988
6
0.00000
0.00000
0.02563
7
0.00000
0.00000
-0.04280
8
0.00000
0.00000
-0.03100
9
0.00000
0.00000
-0.03100
10
0.00000
0.00000
-0.04280
11
0.00000
0.00000
-0.04280
12
0.00000
0.00000
-0.03100
13
0.00000
0.00000
-0.03100
14
0.00000
0.00000
-0.04280
15
0.00000
0.00000
-0.21881
16
0.00000
0.00000
0.26110
17
0.00000
0.00000
0.33774
18
0.00000
0.00000
0.33774
19
0.00000
0.00000
0.26111
20
0.00000
0.00000
0.26110
21
0.00000
0.00000
0.33774
22
0.00000
0.00000
0.33774
23
0.00000
0.00000
0.26111
24
0.00000
0.00000
-0.21881