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)
1.55100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.01630
2
0.00000
0.00000
0.01630
3
0.00000
0.00000
-0.03525
4
0.00000
0.00000
-0.03525
5
0.00000
0.00000
-0.03525
6
0.00000
0.00000
-0.03525
7
0.00000
0.00000
0.03390
8
0.00000
0.00000
0.03390
9
0.00000
0.00000
0.03390
10
0.00000
0.00000
0.03390
11
0.00000
0.00000
0.03940
12
0.00000
0.00000
0.03940
13
0.00000
0.00000
0.03940
14
0.00000
0.00000
0.03940
15
0.00000
0.00000
0.01262
16
0.00000
0.00000
0.01262
17
0.00000
0.00000
-0.04090
18
0.00000
0.00000
-0.04090
19
0.00000
0.00000
-0.04090
20
0.00000
0.00000
-0.04090
21
0.00000
0.00000
-0.01532
22
0.00000
0.00000
-0.01532
23
0.00000
0.00000
-0.01532
24
0.00000
0.00000
-0.01532
25
0.00000
0.00000
-0.04055
26
0.00000
0.00000
-0.04055
27
0.00000
0.00000
-0.04055
28
0.00000
0.00000
-0.04055
29
0.00000
0.00000
-0.19397
30
0.00000
0.00000
-0.19397
31
0.00000
0.00000
0.18354
32
0.00000
0.00000
0.18354
33
0.00000
0.00000
0.18354
34
0.00000
0.00000
0.18354
35
0.00000
0.00000
0.27838
36
0.00000
0.00000
0.27838
37
0.00000
0.00000
0.27838
38
0.00000
0.00000
0.27838
39
0.00000
0.00000
0.16210
40
0.00000
0.00000
0.16210
41
0.00000
0.00000
0.16210
42
0.00000
0.00000
0.16210