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)
-0.22300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00186
0.00000
2
0.00000
0.00186
0.00000
3
0.04341
0.01778
0.00000
4
-0.04341
0.01778
0.00000
5
-0.04341
0.01778
0.00000
6
0.04341
0.01778
0.00000
7
0.03016
-0.01701
0.00000
8
-0.03016
-0.01701
0.00000
9
-0.03016
-0.01701
0.00000
10
0.03016
-0.01701
0.00000
11
-0.02162
0.02552
0.00000
12
0.02162
0.02552
0.00000
13
0.02162
0.02552
0.00000
14
-0.02162
0.02552
0.00000
15
0.00000
-0.00022
0.00000
16
0.00000
-0.00022
0.00000
17
0.01261
0.00142
0.00000
18
-0.01261
0.00142
0.00000
19
-0.01261
0.00142
0.00000
20
0.01261
0.00142
0.00000
21
-0.02645
-0.00264
0.00000
22
0.02645
-0.00264
0.00000
23
0.02645
-0.00264
0.00000
24
-0.02645
-0.00264
0.00000
25
0.02687
-0.00564
0.00000
26
-0.02687
-0.00564
0.00000
27
-0.02687
-0.00564
0.00000
28
0.02687
-0.00564
0.00000
29
0.00000
-0.23889
0.00000
30
0.00000
-0.23889
0.00000
31
0.01211
0.09789
0.00000
32
-0.01211
0.09789
0.00000
33
-0.01211
0.09790
0.00000
34
0.01211
0.09790
0.00000
35
-0.30112
-0.15825
0.00000
36
0.30112
-0.15825
0.00000
37
0.30113
-0.15826
0.00000
38
-0.30113
-0.15825
0.00000
39
0.13111
-0.06128
0.00000
40
-0.13111
-0.06128
0.00000
41
-0.13112
-0.06129
0.00000
42
0.13112
-0.06128
0.00000