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
0.00000
0.03626
0.00000
2
0.00000
-0.03626
0.00000
3
-0.01346
0.01409
0.00000
4
-0.01346
-0.01409
0.00000
5
0.01346
0.01409
0.00000
6
0.01346
-0.01409
0.00000
7
-0.02126
-0.01675
0.00000
8
-0.02126
0.01675
0.00000
9
0.02126
-0.01675
0.00000
10
0.02126
0.01675
0.00000
11
0.02131
-0.01498
0.00000
12
0.02130
0.01498
0.00000
13
-0.02131
-0.01498
0.00000
14
-0.02130
0.01498
0.00000
15
0.00000
0.00476
0.00000
16
0.00000
-0.00476
0.00000
17
-0.04383
-0.02623
0.00000
18
-0.04382
0.02623
0.00000
19
0.04383
-0.02623
0.00000
20
0.04382
0.02623
0.00000
21
-0.02488
0.02628
0.00000
22
-0.02488
-0.02628
0.00000
23
0.02488
0.02628
0.00000
24
0.02488
-0.02628
0.00000
25
0.06182
0.00761
0.00000
26
0.06182
-0.00761
0.00000
27
-0.06182
0.00761
0.00000
28
-0.06182
-0.00761
0.00000
29
0.00000
0.11213
0.00000
30
0.00000
-0.11213
0.00000
31
-0.04497
-0.18918
0.00000
32
-0.04496
0.18918
0.00000
33
0.04497
-0.18918
0.00000
34
0.04496
0.18918
0.00000
35
-0.01993
0.03436
0.00000
36
-0.01993
-0.03436
0.00000
37
0.01993
0.03436
0.00000
38
0.01993
-0.03436
0.00000
39
0.26568
-0.09832
0.00000
40
0.26568
0.09832
0.00000
41
-0.26568
-0.09832
0.00000
42
-0.26568
0.09832
0.00000