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)
0.66100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00878
0.00000
2
0.00000
0.00878
0.00000
3
-0.03699
-0.02213
0.00000
4
0.03699
-0.02213
0.00000
5
0.03699
-0.02213
0.00000
6
-0.03699
-0.02213
0.00000
7
-0.02689
0.02019
0.00000
8
0.02689
0.02019
0.00000
9
0.02689
0.02019
0.00000
10
-0.02689
0.02019
0.00000
11
0.01965
-0.04475
0.00000
12
-0.01965
-0.04475
0.00000
13
-0.01965
-0.04475
0.00000
14
0.01965
-0.04475
0.00000
15
0.00000
0.00653
0.00000
16
0.00000
0.00653
0.00000
17
-0.01370
0.00293
0.00000
18
0.01370
0.00293
0.00000
19
0.01370
0.00293
0.00000
20
-0.01370
0.00293
0.00000
21
0.02038
0.00325
0.00000
22
-0.02038
0.00325
0.00000
23
-0.02038
0.00325
0.00000
24
0.02038
0.00325
0.00000
25
-0.02494
0.00166
0.00000
26
0.02494
0.00166
0.00000
27
0.02494
0.00166
0.00000
28
-0.02494
0.00166
0.00000
29
0.00000
0.34950
0.00000
30
0.00000
0.34950
0.00000
31
-0.01696
0.00250
0.00000
32
0.01696
0.00250
0.00000
33
0.01696
0.00250
0.00000
34
-0.01696
0.00250
0.00000
35
0.26529
0.14452
0.00000
36
-0.26529
0.14452
0.00000
37
-0.26529
0.14452
0.00000
38
0.26529
0.14452
0.00000
39
-0.11567
0.04959
0.00000
40
0.11567
0.04959
0.00000
41
0.11567
0.04959
0.00000
42
-0.11567
0.04959
0.00000