Charge: 0
Inchi:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
Electronic States
Energy
(eV)
-538.83499
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)
0.07163 b
(cm-1)
0.01506 c
(cm-1)
0.01244
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)
-1.38500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00410
0.00000
0.00000
2
-0.00410
0.00000
0.00000
3
0.00054
-0.00098
0.00000
4
0.00054
0.00098
0.00000
5
0.00054
-0.00098
0.00000
6
0.00054
0.00098
0.00000
7
-0.02634
-0.00154
0.00000
8
-0.02634
0.00154
0.00000
9
-0.02635
-0.00155
0.00000
10
-0.02635
0.00155
0.00000
11
-0.01379
0.02989
0.00000
12
-0.01379
-0.02989
0.00000
13
-0.01379
0.02990
0.00000
14
-0.01380
-0.02990
0.00000
15
0.04622
0.00000
0.00000
16
0.04622
0.00000
0.00000
17
0.29207
0.00100
0.00000
18
0.29208
-0.00101
0.00000
19
0.29217
0.00101
0.00000
20
0.29218
-0.00101
0.00000
21
0.18058
-0.32814
0.00000
22
0.18058
0.32815
0.00000
23
0.18064
-0.32826
0.00000
24
0.18065
0.32827
0.00000