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)
-1074.10796
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)
0.00789 b
(cm-1)
0.00764 c
(cm-1)
0.00388
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
0.03637
0.00000
2
0.00000
-0.03636
0.00000
3
0.02703
-0.00225
0.00000
4
0.02703
0.00225
0.00000
5
-0.02703
-0.00225
0.00000
6
-0.02703
0.00225
0.00000
7
-0.00909
0.00510
0.00000
8
-0.00909
-0.00510
0.00000
9
0.00909
0.00510
0.00000
10
0.00909
-0.00510
0.00000
11
-0.00079
-0.04369
0.00000
12
-0.00079
0.04369
0.00000
13
0.00079
-0.04369
0.00000
14
0.00079
0.04369
0.00000
15
0.00000
0.01588
0.00000
16
0.00000
-0.01588
0.00000
17
-0.00164
0.02749
0.00000
18
-0.00164
-0.02749
0.00000
19
0.00164
0.02749
0.00000
20
0.00164
-0.02749
0.00000
21
-0.02233
-0.01548
0.00000
22
-0.02232
0.01548
0.00000
23
0.02233
-0.01548
0.00000
24
0.02233
0.01548
0.00000
25
0.00764
-0.01070
0.00000
26
0.00764
0.01070
0.00000
27
-0.00764
-0.01070
0.00000
28
-0.00764
0.01070
0.00000
29
0.00000
0.21241
0.00000
30
0.00000
-0.21240
0.00000
31
-0.00779
0.31279
0.00000
32
-0.00779
-0.31278
0.00000
33
0.00779
0.31280
0.00000
34
0.00779
-0.31279
0.00000
35
-0.19116
-0.11183
0.00000
36
-0.19116
0.11183
0.00000
37
0.19117
-0.11183
0.00000
38
0.19117
0.11183
0.00000
39
0.11025
-0.06603
0.00000
40
0.11025
0.06603
0.00000
41
-0.11025
-0.06603
0.00000
42
-0.11025
0.06603
0.00000