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
-0.09477
0.00000
2
0.00000
0.09477
0.00000
3
0.01984
-0.06571
0.00000
4
0.01984
0.06571
0.00000
5
-0.01984
-0.06571
0.00000
6
-0.01984
0.06571
0.00000
7
0.01490
0.00628
0.00000
8
0.01490
-0.00628
0.00000
9
-0.01490
0.00628
0.00000
10
-0.01490
-0.00628
0.00000
11
-0.00287
0.00983
0.00000
12
-0.00287
-0.00983
0.00000
13
0.00287
0.00983
0.00000
14
0.00287
-0.00983
0.00000
15
0.00000
0.02491
0.00000
16
0.00000
-0.02491
0.00000
17
-0.05254
-0.00248
0.00000
18
-0.05254
0.00248
0.00000
19
0.05254
-0.00248
0.00000
20
0.05254
0.00248
0.00000
21
0.00022
-0.02146
0.00000
22
0.00022
0.02146
0.00000
23
-0.00022
-0.02146
0.00000
24
-0.00022
0.02146
0.00000
25
0.02909
0.07365
0.00000
26
0.02909
-0.07365
0.00000
27
-0.02909
0.07365
0.00000
28
-0.02909
-0.07365
0.00000
29
0.00000
0.02341
0.00000
30
0.00000
-0.02341
0.00000
31
-0.05537
0.00957
0.00000
32
-0.05537
-0.00957
0.00000
33
0.05537
0.00957
0.00000
34
0.05537
-0.00957
0.00000
35
-0.03285
-0.03913
0.00000
36
-0.03285
0.03913
0.00000
37
0.03285
-0.03913
0.00000
38
0.03285
0.03913
0.00000
39
-0.01955
0.10453
0.00000
40
-0.01955
-0.10453
0.00000
41
0.01955
0.10453
0.00000
42
0.01955
-0.10453
0.00000