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)
0.13400
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00006
0.00000
0.00000
2
0.00006
0.00000
0.00000
3
0.00043
0.00017
0.00000
4
0.00043
-0.00018
0.00000
5
0.00043
-0.00017
0.00000
6
0.00043
0.00018
0.00000
7
-0.00003
0.00008
0.00000
8
-0.00003
-0.00008
0.00000
9
-0.00003
-0.00008
0.00000
10
-0.00003
0.00008
0.00000
11
0.00064
0.00226
0.00000
12
0.00064
-0.00227
0.00000
13
0.00064
-0.00226
0.00000
14
0.00064
0.00227
0.00000
15
-0.05879
0.00000
0.00000
16
-0.05907
0.00000
0.00000
17
0.00465
-0.00002
0.00000
18
0.00468
0.00002
0.00000
19
0.00465
0.00002
0.00000
20
0.00468
-0.00002
0.00000
21
-0.00051
0.00057
0.00000
22
-0.00051
-0.00058
0.00000
23
-0.00051
-0.00057
0.00000
24
-0.00051
0.00058
0.00000
25
0.00000
-0.00008
0.00000
26
0.00000
0.00008
0.00000
27
0.00000
0.00008
0.00000
28
0.00000
-0.00008
0.00000
29
0.66806
0.00000
0.00000
30
0.67123
0.00000
0.00000
31
-0.05192
-0.00244
0.00000
32
-0.05216
0.00245
0.00000
33
-0.05192
0.00244
0.00000
34
-0.05216
-0.00245
0.00000
35
0.00548
-0.00952
0.00000
36
0.00551
0.00956
0.00000
37
0.00548
0.00952
0.00000
38
0.00551
-0.00956
0.00000
39
0.00035
0.00050
0.00000
40
0.00035
-0.00050
0.00000
41
0.00035
-0.00050
0.00000
42
0.00036
0.00050
0.00000