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)
1.02500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00350
0.00000
0.00000
2
-0.00350
0.00000
0.00000
3
-0.01044
-0.05848
0.00000
4
-0.01044
0.05848
0.00000
5
-0.01044
0.05848
0.00000
6
-0.01044
-0.05848
0.00000
7
0.03213
0.03115
0.00000
8
0.03213
-0.03115
0.00000
9
0.03213
-0.03115
0.00000
10
0.03213
0.03115
0.00000
11
-0.01638
0.04342
0.00000
12
-0.01638
-0.04342
0.00000
13
-0.01638
-0.04342
0.00000
14
-0.01638
0.04342
0.00000
15
0.00651
0.00000
0.00000
16
0.00651
0.00000
0.00000
17
0.02616
-0.00836
0.00000
18
0.02616
0.00836
0.00000
19
0.02616
0.00836
0.00000
20
0.02616
-0.00836
0.00000
21
-0.02775
-0.03717
0.00000
22
-0.02775
0.03717
0.00000
23
-0.02775
0.03717
0.00000
24
-0.02775
-0.03717
0.00000
25
-0.03989
0.03084
0.00000
26
-0.03989
-0.03084
0.00000
27
-0.03989
-0.03084
0.00000
28
-0.03989
0.03084
0.00000
29
0.00012
0.00000
0.00000
30
0.00012
0.00000
0.00000
31
0.02989
0.04229
0.00000
32
0.02989
-0.04229
0.00000
33
0.02989
-0.04229
0.00000
34
0.02989
0.04229
0.00000
35
0.17705
0.07585
0.00000
36
0.17705
-0.07585
0.00000
37
0.17705
-0.07585
0.00000
38
0.17705
0.07585
0.00000
39
0.20585
-0.09589
0.00000
40
0.20585
0.09589
0.00000
41
0.20585
0.09589
0.00000
42
0.20585
-0.09589
0.00000