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)
-1073.55865
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)
0.00795 b
(cm-1)
0.00762 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)
0.21900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.08160
2
0.00000
0.00000
-0.08160
3
0.00000
0.00000
-0.03569
4
0.00000
0.00000
-0.03569
5
0.00000
0.00000
-0.03569
6
0.00000
0.00000
-0.03569
7
0.00000
0.00000
0.02315
8
0.00000
0.00000
0.02315
9
0.00000
0.00000
0.02315
10
0.00000
0.00000
0.02315
11
0.00000
0.00000
0.02252
12
0.00000
0.00000
0.02252
13
0.00000
0.00000
0.02252
14
0.00000
0.00000
0.02252
15
0.00000
0.00000
0.10136
16
0.00000
0.00000
0.10136
17
0.00000
0.00000
-0.03338
18
0.00000
0.00000
-0.03338
19
0.00000
0.00000
-0.03337
20
0.00000
0.00000
-0.03337
21
0.00000
0.00000
-0.04682
22
0.00000
0.00000
-0.04682
23
0.00000
0.00000
-0.04682
24
0.00000
0.00000
-0.04682
25
0.00000
0.00000
0.05361
26
0.00000
0.00000
0.05361
27
0.00000
0.00000
0.05361
28
0.00000
0.00000
0.05361
29
0.00000
0.00000
0.19501
30
0.00000
0.00000
0.19501
31
0.00000
0.00000
-0.05242
32
0.00000
0.00000
-0.05242
33
0.00000
0.00000
-0.05242
34
0.00000
0.00000
-0.05242
35
0.00000
0.00000
-0.09143
36
0.00000
0.00000
-0.09143
37
0.00000
0.00000
-0.09143
38
0.00000
0.00000
-0.09143
39
0.00000
0.00000
0.12637
40
0.00000
0.00000
0.12637
41
0.00000
0.00000
0.12637
42
0.00000
0.00000
0.12637