Charge: -1
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/q-1
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)
0.30300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00005
0.00000
2
0.00000
0.00005
0.00000
3
-0.00002
-0.00008
0.00000
4
0.00002
-0.00008
0.00000
5
0.00002
-0.00008
0.00000
6
-0.00002
-0.00008
0.00000
7
0.00010
-0.00015
0.00000
8
-0.00010
-0.00015
0.00000
9
-0.00010
-0.00015
0.00000
10
0.00010
-0.00015
0.00000
11
0.00032
-0.00103
0.00000
12
-0.00032
-0.00103
0.00000
13
-0.00032
-0.00103
0.00000
14
0.00032
-0.00103
0.00000
15
0.00000
0.00051
0.00000
16
0.00000
0.00051
0.00000
17
-0.03506
-0.00033
0.00000
18
0.03506
-0.00033
0.00000
19
0.03506
-0.00033
0.00000
20
-0.03506
-0.00033
0.00000
21
0.01086
-0.01703
0.00000
22
-0.01086
-0.01703
0.00000
23
-0.01086
-0.01703
0.00000
24
0.01086
-0.01703
0.00000
25
0.00207
0.00538
0.00000
26
-0.00207
0.00538
0.00000
27
-0.00207
0.00538
0.00000
28
0.00207
0.00538
0.00000
29
0.00000
0.00181
0.00000
30
0.00000
0.00181
0.00000
31
0.40639
0.00523
0.00000
32
-0.40639
0.00523
0.00000
33
-0.40639
0.00523
0.00000
34
0.40639
0.00523
0.00000
35
-0.12109
0.20877
0.00000
36
0.12109
0.20877
0.00000
37
0.12109
0.20877
0.00000
38
-0.12109
0.20877
0.00000
39
-0.03236
-0.06065
0.00000
40
0.03236
-0.06065
0.00000
41
0.03236
-0.06065
0.00000
42
-0.03236
-0.06065
0.00000