Charge: 0
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
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
-0.05268
0.00000
0.00000
2
0.05268
0.00000
0.00000
3
0.06702
0.00739
0.00000
4
-0.06702
0.00739
0.00000
5
0.06702
-0.00739
0.00000
6
-0.06702
-0.00739
0.00000
7
-0.06216
0.00118
0.00000
8
0.06216
0.00118
0.00000
9
-0.06216
-0.00118
0.00000
10
0.06216
-0.00118
0.00000
11
-0.05243
-0.00297
0.00000
12
0.05243
-0.00297
0.00000
13
-0.05243
0.00297
0.00000
14
0.05243
0.00297
0.00000
15
0.02130
0.00000
0.00000
16
-0.02130
0.00000
0.00000
17
0.02350
0.00735
0.00000
18
-0.02350
0.00735
0.00000
19
0.02350
-0.00735
0.00000
20
-0.02350
-0.00735
0.00000
21
-0.04168
-0.01116
0.00000
22
0.04168
-0.01116
0.00000
23
-0.04168
0.01116
0.00000
24
0.04168
0.01116
0.00000
25
0.05652
-0.01845
0.00000
26
-0.05652
-0.01845
0.00000
27
0.05652
0.01845
0.00000
28
-0.05652
0.01845
0.00000
29
0.02047
0.00000
0.00000
30
-0.02047
0.00000
0.00000
31
0.02465
-0.01382
0.00000
32
-0.02465
-0.01382
0.00000
33
0.02465
0.01382
0.00000
34
-0.02465
0.01382
0.00000
35
0.04223
0.03728
0.00000
36
-0.04223
0.03728
0.00000
37
0.04222
-0.03728
0.00000
38
-0.04223
-0.03728
0.00000
39
-0.12076
0.07488
0.00000
40
0.12076
0.07488
0.00000
41
-0.12077
-0.07489
0.00000
42
0.12077
-0.07489
0.00000