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
0.01247
0.00000
2
0.00000
-0.01247
0.00000
3
0.05909
-0.00335
0.00000
4
0.05909
0.00335
0.00000
5
-0.05909
-0.00335
0.00000
6
-0.05909
0.00335
0.00000
7
0.00402
-0.01742
0.00000
8
0.00402
0.01742
0.00000
9
-0.00402
-0.01743
0.00000
10
-0.00402
0.01743
0.00000
11
-0.09546
-0.00831
0.00000
12
-0.09546
0.00831
0.00000
13
0.09546
-0.00831
0.00000
14
0.09546
0.00831
0.00000
15
0.00000
0.03446
0.00000
16
0.00000
-0.03446
0.00000
17
0.01404
-0.03943
0.00000
18
0.01404
0.03943
0.00000
19
-0.01404
-0.03943
0.00000
20
-0.01404
0.03943
0.00000
21
0.01717
0.01791
0.00000
22
0.01717
-0.01791
0.00000
23
-0.01717
0.01791
0.00000
24
-0.01717
-0.01791
0.00000
25
-0.02877
0.01920
0.00000
26
-0.02877
-0.01920
0.00000
27
0.02877
0.01920
0.00000
28
0.02877
-0.01920
0.00000
29
0.00000
0.24708
0.00000
30
0.00000
-0.24708
0.00000
31
0.01257
-0.06255
0.00000
32
0.01257
0.06254
0.00000
33
-0.01257
-0.06255
0.00000
34
-0.01257
0.06255
0.00000
35
0.05945
0.04230
0.00000
36
0.05945
-0.04230
0.00000
37
-0.05944
0.04230
0.00000
38
-0.05944
-0.04230
0.00000
39
0.04939
-0.02098
0.00000
40
0.04939
0.02098
0.00000
41
-0.04938
-0.02097
0.00000
42
-0.04938
0.02097
0.00000