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)
0.22800
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.05895
0.00000
0.00000
2
0.05895
0.00000
0.00000
3
-0.00231
-0.03468
0.00000
4
-0.00231
0.03467
0.00000
5
-0.00231
0.03468
0.00000
6
-0.00231
-0.03468
0.00000
7
-0.05512
0.00195
0.00000
8
-0.05512
-0.00195
0.00000
9
-0.05512
-0.00195
0.00000
10
-0.05512
0.00195
0.00000
11
-0.00710
-0.04905
0.00000
12
-0.00710
0.04905
0.00000
13
-0.00709
0.04905
0.00000
14
-0.00709
-0.04905
0.00000
15
-0.09145
0.00000
0.00000
16
-0.09145
0.00000
0.00000
17
0.06823
-0.02467
0.00000
18
0.06823
0.02467
0.00000
19
0.06823
0.02467
0.00000
20
0.06824
-0.02467
0.00000
21
0.01371
0.00682
0.00000
22
0.01372
-0.00682
0.00000
23
0.01371
-0.00682
0.00000
24
0.01371
0.00682
0.00000
25
-0.00135
0.03966
0.00000
26
-0.00135
-0.03966
0.00000
27
-0.00135
-0.03966
0.00000
28
-0.00135
0.03966
0.00000
29
-0.09065
0.00000
0.00000
30
-0.09066
0.00000
0.00000
31
0.06810
-0.01681
0.00000
32
0.06810
0.01681
0.00000
33
0.06810
0.01682
0.00000
34
0.06810
-0.01682
0.00000
35
-0.04802
-0.02899
0.00000
36
-0.04802
0.02899
0.00000
37
-0.04802
0.02899
0.00000
38
-0.04802
-0.02899
0.00000
39
0.02739
0.02408
0.00000
40
0.02739
-0.02408
0.00000
41
0.02739
-0.02408
0.00000
42
0.02739
0.02408
0.00000