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
0.00000
0.00000
0.00000
2
0.00000
0.00000
0.00000
3
-0.00017
-0.00024
0.00000
4
-0.00017
0.00024
0.00000
5
0.00017
-0.00024
0.00000
6
0.00017
0.00024
0.00000
7
0.00052
-0.00106
0.00000
8
0.00052
0.00106
0.00000
9
-0.00052
-0.00106
0.00000
10
-0.00052
0.00106
0.00000
11
-0.00018
0.00036
0.00000
12
-0.00018
-0.00036
0.00000
13
0.00018
0.00036
0.00000
14
0.00018
-0.00036
0.00000
15
0.00000
0.00004
0.00000
16
0.00000
-0.00004
0.00000
17
0.01046
0.00082
0.00000
18
0.01046
-0.00082
0.00000
19
-0.01047
0.00082
0.00000
20
-0.01047
-0.00082
0.00000
21
0.00859
-0.01775
0.00000
22
0.00859
0.01775
0.00000
23
-0.00860
-0.01776
0.00000
24
-0.00860
0.01776
0.00000
25
0.01581
0.03135
0.00000
26
0.01581
-0.03135
0.00000
27
-0.01582
0.03137
0.00000
28
-0.01582
-0.03137
0.00000
29
0.00000
-0.00066
0.00000
30
0.00000
0.00066
0.00000
31
-0.11588
-0.00223
0.00000
32
-0.11589
0.00223
0.00000
33
0.11597
-0.00224
0.00000
34
0.11597
0.00224
0.00000
35
-0.11302
0.19717
0.00000
36
-0.11303
-0.19718
0.00000
37
0.11311
0.19732
0.00000
38
0.11311
-0.19732
0.00000
39
-0.18796
-0.35613
0.00000
40
-0.18796
0.35613
0.00000
41
0.18810
-0.35638
0.00000
42
0.18810
0.35638
0.00000