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)
1.19700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.06342
2
0.00000
0.00000
-0.06342
3
0.00000
0.00000
0.09496
4
0.00000
0.00000
0.09496
5
0.00000
0.00000
0.09496
6
0.00000
0.00000
0.09496
7
0.00000
0.00000
-0.02680
8
0.00000
0.00000
-0.02680
9
0.00000
0.00000
-0.02680
10
0.00000
0.00000
-0.02680
11
0.00000
0.00000
-0.05543
12
0.00000
0.00000
-0.05543
13
0.00000
0.00000
-0.05543
14
0.00000
0.00000
-0.05543
15
0.00000
0.00000
0.01820
16
0.00000
0.00000
0.01820
17
0.00000
0.00000
-0.00142
18
0.00000
0.00000
-0.00142
19
0.00000
0.00000
-0.00142
20
0.00000
0.00000
-0.00142
21
0.00000
0.00000
-0.02622
22
0.00000
0.00000
-0.02622
23
0.00000
0.00000
-0.02622
24
0.00000
0.00000
-0.02622
25
0.00000
0.00000
-0.00067
26
0.00000
0.00000
-0.00067
27
0.00000
0.00000
-0.00067
28
0.00000
0.00000
-0.00067
29
0.00000
0.00000
0.08416
30
0.00000
0.00000
0.08416
31
0.00000
0.00000
0.16281
32
0.00000
0.00000
0.16281
33
0.00000
0.00000
0.16281
34
0.00000
0.00000
0.16281
35
0.00000
0.00000
0.11566
36
0.00000
0.00000
0.11566
37
0.00000
0.00000
0.11566
38
0.00000
0.00000
0.11566
39
0.00000
0.00000
0.13421
40
0.00000
0.00000
0.13421
41
0.00000
0.00000
0.13421
42
0.00000
0.00000
0.13421