Charge: 0
Inchi:1S/C28H14/c1-5-15-13-16-6-3-11-21-22-12-4-8-18-14-17-7-2-10-20-19(9-1)23(15)27(25(16)21)28(24(17)20)26(18)22/h1-14H
Electronic States
Energy
(eV)
-1073.55865
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)
0.00795 b
(cm-1)
0.00762 c
(cm-1)
0.00389
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
0.00437
0.00000
0.00000
2
-0.00437
0.00000
0.00000
3
0.02346
0.03497
0.00000
4
-0.02346
0.03497
0.00000
5
0.02346
-0.03497
0.00000
6
-0.02346
-0.03497
0.00000
7
0.02449
-0.01314
0.00000
8
-0.02449
-0.01315
0.00000
9
0.02449
0.01315
0.00000
10
-0.02449
0.01315
0.00000
11
-0.00256
0.02888
0.00000
12
0.00256
0.02888
0.00000
13
-0.00256
-0.02888
0.00000
14
0.00256
-0.02888
0.00000
15
-0.02518
0.00000
0.00000
16
0.02518
0.00000
0.00000
17
0.00404
0.00633
0.00000
18
-0.00404
0.00633
0.00000
19
0.00404
-0.00633
0.00000
20
-0.00404
-0.00633
0.00000
21
-0.03124
-0.00466
0.00000
22
0.03124
-0.00466
0.00000
23
-0.03124
0.00466
0.00000
24
0.03124
0.00466
0.00000
25
0.03712
-0.00854
0.00000
26
-0.03712
-0.00854
0.00000
27
0.03712
0.00854
0.00000
28
-0.03712
0.00854
0.00000
29
-0.02895
0.00000
0.00000
30
0.02895
0.00000
0.00000
31
0.00375
0.07881
0.00000
32
-0.00375
0.07881
0.00000
33
0.00375
-0.07881
0.00000
34
-0.00375
-0.07880
0.00000
35
-0.31444
-0.16777
0.00000
36
0.31444
-0.16776
0.00000
37
-0.31444
0.16777
0.00000
38
0.31443
0.16776
0.00000
39
0.18176
-0.08561
0.00000
40
-0.18175
-0.08561
0.00000
41
0.18176
0.08561
0.00000
42
-0.18175
0.08560
0.00000