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)
-1073.90161
Description
D0
Multiplicity
2
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)
0.00793 b
(cm-1)
0.00763 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
-0.12253
0.00000
0.00000
2
0.12253
0.00000
0.00000
3
0.03669
-0.04375
0.00000
4
-0.03669
-0.04375
0.00000
5
0.03669
0.04375
0.00000
6
-0.03669
0.04375
0.00000
7
0.00949
0.00675
0.00000
8
-0.00949
0.00675
0.00000
9
0.00949
-0.00675
0.00000
10
-0.00949
-0.00675
0.00000
11
-0.01007
0.04174
0.00000
12
0.01007
0.04174
0.00000
13
-0.01007
-0.04174
0.00000
14
0.01007
-0.04174
0.00000
15
-0.00493
0.00000
0.00000
16
0.00493
0.00000
0.00000
17
-0.00183
-0.03396
0.00000
18
0.00183
-0.03396
0.00000
19
-0.00183
0.03396
0.00000
20
0.00183
0.03396
0.00000
21
0.02331
-0.00082
0.00000
22
-0.02331
-0.00082
0.00000
23
0.02331
0.00082
0.00000
24
-0.02331
0.00082
0.00000
25
-0.04552
0.02422
0.00000
26
0.04552
0.02422
0.00000
27
-0.04552
-0.02422
0.00000
28
0.04552
-0.02422
0.00000
29
-0.00955
0.00000
0.00000
30
0.00955
0.00000
0.00000
31
-0.00221
0.04030
0.00000
32
0.00221
0.04030
0.00000
33
-0.00221
-0.04030
0.00000
34
0.00221
-0.04030
0.00000
35
0.04779
0.01219
0.00000
36
-0.04779
0.01219
0.00000
37
0.04779
-0.01219
0.00000
38
-0.04779
-0.01219
0.00000
39
0.17660
-0.09464
0.00000
40
-0.17660
-0.09464
0.00000
41
0.17660
0.09464
0.00000
42
-0.17660
0.09464
0.00000