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)
0.39700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00005
0.00000
2
0.00000
0.00005
0.00000
3
-0.00020
0.00001
0.00000
4
0.00020
0.00001
0.00000
5
0.00020
0.00001
0.00000
6
-0.00020
0.00001
0.00000
7
0.00006
-0.00019
0.00000
8
-0.00006
-0.00019
0.00000
9
-0.00006
-0.00019
0.00000
10
0.00006
-0.00019
0.00000
11
0.00004
0.00069
0.00000
12
-0.00004
0.00069
0.00000
13
-0.00004
0.00069
0.00000
14
0.00004
0.00069
0.00000
15
0.00000
0.00014
0.00000
16
0.00000
0.00014
0.00000
17
0.03142
0.00017
0.00000
18
-0.03142
0.00017
0.00000
19
-0.03142
0.00017
0.00000
20
0.03142
0.00017
0.00000
21
-0.01306
0.02143
0.00000
22
0.01306
0.02143
0.00000
23
0.01306
0.02143
0.00000
24
-0.01306
0.02143
0.00000
25
-0.00159
-0.00386
0.00000
26
0.00159
-0.00386
0.00000
27
0.00159
-0.00386
0.00000
28
-0.00159
-0.00387
0.00000
29
-0.00003
-0.00242
0.00000
30
-0.00001
-0.00242
0.00000
31
-0.36900
-0.00541
0.00000
32
0.36899
-0.00541
0.00000
33
0.36897
-0.00541
0.00000
34
-0.36901
-0.00541
0.00000
35
0.14874
-0.25956
0.00000
36
-0.14873
-0.25954
0.00000
37
-0.14872
-0.25953
0.00000
38
0.14874
-0.25956
0.00000
39
0.02505
0.04786
0.00000
40
-0.02504
0.04785
0.00000
41
-0.02504
0.04785
0.00000
42
0.02505
0.04786
0.00000