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)
-1074.10796
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)
0.00789 b
(cm-1)
0.00764 c
(cm-1)
0.00388
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
-0.12642
0.00000
0.00000
2
0.12642
0.00000
0.00000
3
0.04683
-0.05005
0.00000
4
-0.04683
-0.05005
0.00000
5
0.04683
0.05005
0.00000
6
-0.04683
0.05005
0.00000
7
0.01541
0.00019
0.00000
8
-0.01541
0.00019
0.00000
9
0.01541
-0.00019
0.00000
10
-0.01541
-0.00019
0.00000
11
-0.01758
0.03069
0.00000
12
0.01758
0.03069
0.00000
13
-0.01758
-0.03069
0.00000
14
0.01758
-0.03069
0.00000
15
0.00023
0.00000
0.00000
16
-0.00023
0.00000
0.00000
17
-0.00264
-0.02973
0.00000
18
0.00264
-0.02973
0.00000
19
-0.00264
0.02974
0.00000
20
0.00264
0.02974
0.00000
21
0.02114
0.00166
0.00000
22
-0.02114
0.00166
0.00000
23
0.02114
-0.00166
0.00000
24
-0.02114
-0.00166
0.00000
25
-0.04298
0.02848
0.00000
26
0.04298
0.02848
0.00000
27
-0.04298
-0.02848
0.00000
28
0.04298
-0.02848
0.00000
29
-0.00266
0.00001
0.00000
30
0.00266
0.00001
0.00000
31
-0.00296
0.02541
0.00000
32
0.00296
0.02541
0.00000
33
-0.00296
-0.02544
0.00000
34
0.00296
-0.02544
0.00000
35
0.04596
0.01456
0.00000
36
-0.04596
0.01456
0.00000
37
0.04597
-0.01457
0.00000
38
-0.04597
-0.01457
0.00000
39
0.15225
-0.07399
0.00000
40
-0.15225
-0.07399
0.00000
41
0.15227
0.07400
0.00000
42
-0.15227
0.07400
0.00000