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
-0.07010
0.00000
0.00000
2
0.07010
0.00000
0.00000
3
-0.00220
0.03929
0.00000
4
0.00220
0.03929
0.00000
5
-0.00220
-0.03930
0.00000
6
0.00220
-0.03929
0.00000
7
-0.03777
-0.05021
0.00000
8
0.03777
-0.05020
0.00000
9
-0.03777
0.05020
0.00000
10
0.03777
0.05020
0.00000
11
0.08694
0.00502
0.00000
12
-0.08694
0.00502
0.00000
13
0.08694
-0.00502
0.00000
14
-0.08694
-0.00502
0.00000
15
-0.06117
0.00000
0.00000
16
0.06117
0.00000
0.00000
17
-0.01688
0.00306
0.00000
18
0.01688
0.00306
0.00000
19
-0.01688
-0.00306
0.00000
20
0.01688
-0.00306
0.00000
21
-0.01127
-0.01210
0.00000
22
0.01127
-0.01210
0.00000
23
-0.01127
0.01210
0.00000
24
0.01127
0.01210
0.00000
25
0.00439
0.02201
0.00000
26
-0.00439
0.02200
0.00000
27
0.00439
-0.02200
0.00000
28
-0.00439
-0.02200
0.00000
29
-0.06338
0.00000
0.00000
30
0.06338
0.00000
0.00000
31
-0.01900
0.13109
0.00000
32
0.01900
0.13110
0.00000
33
-0.01900
-0.13109
0.00000
34
0.01900
-0.13109
0.00000
35
0.04687
0.02265
0.00000
36
-0.04688
0.02265
0.00000
37
0.04687
-0.02265
0.00000
38
-0.04687
-0.02265
0.00000
39
-0.05389
0.05352
0.00000
40
0.05389
0.05352
0.00000
41
-0.05389
-0.05352
0.00000
42
0.05389
-0.05352
0.00000