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
0.00000
-0.08013
0.00000
2
0.00000
0.08013
0.00000
3
-0.02525
0.04799
0.00000
4
-0.02525
-0.04799
0.00000
5
0.02525
0.04799
0.00000
6
0.02525
-0.04799
0.00000
7
0.01998
-0.04939
0.00000
8
0.01998
0.04939
0.00000
9
-0.01998
-0.04939
0.00000
10
-0.01998
0.04939
0.00000
11
0.02118
0.02696
0.00000
12
0.02118
-0.02696
0.00000
13
-0.02118
0.02696
0.00000
14
-0.02118
-0.02696
0.00000
15
0.00000
-0.07294
0.00000
16
0.00000
0.07294
0.00000
17
-0.01866
-0.03219
0.00000
18
-0.01866
0.03219
0.00000
19
0.01865
-0.03219
0.00000
20
0.01866
0.03219
0.00000
21
0.02618
0.02419
0.00000
22
0.02618
-0.02419
0.00000
23
-0.02618
0.02419
0.00000
24
-0.02618
-0.02419
0.00000
25
-0.02569
0.02065
0.00000
26
-0.02569
-0.02065
0.00000
27
0.02569
0.02065
0.00000
28
0.02569
-0.02065
0.00000
29
0.00000
0.25468
0.00000
30
0.00000
-0.25467
0.00000
31
-0.02385
0.11226
0.00000
32
-0.02385
-0.11226
0.00000
33
0.02385
0.11226
0.00000
34
0.02385
-0.11226
0.00000
35
-0.06521
-0.02497
0.00000
36
-0.06521
0.02497
0.00000
37
0.06521
-0.02497
0.00000
38
0.06521
0.02497
0.00000
39
0.01805
-0.00001
0.00000
40
0.01805
0.00001
0.00000
41
-0.01805
-0.00001
0.00000
42
-0.01805
0.00001
0.00000