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)
-539.46223
Description
D0
Multiplicity
2
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)
0.07234 b
(cm-1)
0.01515 c
(cm-1)
0.01253
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)
0.20400
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.09219
2
0.00000
0.00000
-0.09219
3
0.00000
0.00000
-0.06661
4
0.00000
0.00000
-0.06661
5
0.00000
0.00000
-0.06661
6
0.00000
0.00000
-0.06661
7
0.00000
0.00000
0.00556
8
0.00000
0.00000
0.00556
9
0.00000
0.00000
0.00556
10
0.00000
0.00000
0.00556
11
0.00000
0.00000
0.09707
12
0.00000
0.00000
0.09707
13
0.00000
0.00000
0.09707
14
0.00000
0.00000
0.09707
15
0.00000
0.00000
-0.09714
16
0.00000
0.00000
-0.09714
17
0.00000
0.00000
0.00321
18
0.00000
0.00000
0.00321
19
0.00000
0.00000
0.00321
20
0.00000
0.00000
0.00321
21
0.00000
0.00000
0.16539
22
0.00000
0.00000
0.16539
23
0.00000
0.00000
0.16539
24
0.00000
0.00000
0.16539