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
0.05518
0.00000
2
0.00000
-0.05518
0.00000
3
-0.01185
0.00096
0.00000
4
-0.01185
-0.00096
0.00000
5
0.01185
0.00096
0.00000
6
0.01185
-0.00096
0.00000
7
-0.01517
-0.05867
0.00000
8
-0.01517
0.05867
0.00000
9
0.01517
-0.05867
0.00000
10
0.01517
0.05867
0.00000
11
0.06506
0.00299
0.00000
12
0.06506
-0.00299
0.00000
13
-0.06506
0.00299
0.00000
14
-0.06507
-0.00299
0.00000
15
0.00000
-0.03871
0.00000
16
0.00000
0.03871
0.00000
17
-0.02552
0.03395
0.00000
18
-0.02553
-0.03395
0.00000
19
0.02553
0.03395
0.00000
20
0.02553
-0.03395
0.00000
21
0.00529
0.00586
0.00000
22
0.00529
-0.00586
0.00000
23
-0.00529
0.00586
0.00000
24
-0.00529
-0.00586
0.00000
25
0.03686
-0.00187
0.00000
26
0.03686
0.00187
0.00000
27
-0.03686
-0.00187
0.00000
28
-0.03686
0.00187
0.00000
29
0.00000
-0.10274
0.00000
30
0.00000
0.10274
0.00000
31
-0.02749
-0.01074
0.00000
32
-0.02749
0.01074
0.00000
33
0.02749
-0.01074
0.00000
34
0.02749
0.01074
0.00000
35
-0.14330
-0.07842
0.00000
36
-0.14330
0.07842
0.00000
37
0.14330
-0.07842
0.00000
38
0.14330
0.07842
0.00000
39
-0.19621
0.12379
0.00000
40
-0.19621
-0.12379
0.00000
41
0.19621
0.12379
0.00000
42
0.19620
-0.12379
0.00000