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)
0.19200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00001
0.00056
0.00000
2
0.03549
-0.05606
0.00000
3
-0.03547
-0.05606
0.00000
4
-0.03549
-0.05606
0.00000
5
0.03547
-0.05606
0.00000
6
0.00001
0.00056
0.00000
7
-0.02087
0.01705
0.00000
8
0.00856
0.01412
0.00000
9
-0.00856
0.01412
0.00000
10
0.02087
0.01705
0.00000
11
0.02086
0.01706
0.00000
12
-0.00854
0.01410
0.00000
13
0.00854
0.01410
0.00000
14
-0.02086
0.01706
0.00000
15
-0.00001
0.34535
0.00000
16
0.02359
-0.05811
0.00000
17
-0.29694
0.17858
0.00000
18
0.29694
0.17858
0.00000
19
-0.02359
-0.05813
0.00000
20
-0.02359
-0.05835
0.00000
21
0.29723
0.17876
0.00000
22
-0.29724
0.17876
0.00000
23
0.02359
-0.05837
0.00000
24
0.00001
0.34534
0.00000