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
0.00000
0.00019
0.00000
2
0.00033
-0.00089
0.00000
3
-0.00033
-0.00089
0.00000
4
0.00033
0.00089
0.00000
5
-0.00033
0.00089
0.00000
6
0.00000
-0.00019
0.00000
7
-0.02721
-0.00135
0.00000
8
-0.01366
0.02919
0.00000
9
-0.01366
-0.02919
0.00000
10
-0.02723
0.00135
0.00000
11
0.02722
-0.00136
0.00000
12
0.01367
0.02920
0.00000
13
0.01366
-0.02920
0.00000
14
0.02723
0.00136
0.00000
15
0.00000
0.00155
0.00000
16
-0.30417
0.00058
0.00000
17
-0.17750
-0.32072
0.00000
18
-0.17746
0.32064
0.00000
19
-0.30430
-0.00058
0.00000
20
0.30409
0.00058
0.00000
21
0.17745
-0.32063
0.00000
22
0.17741
0.32054
0.00000
23
0.30422
-0.00058
0.00000
24
-0.00001
-0.00155
0.00000