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)
-0.05600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02131
0.00000
0.00000
2
-0.02131
0.00000
0.00000
3
-0.01945
-0.02216
0.00000
4
-0.01945
0.02216
0.00000
5
-0.01945
0.02216
0.00000
6
-0.01945
-0.02216
0.00000
7
0.02785
-0.04486
0.00000
8
0.02786
0.04486
0.00000
9
0.02786
0.04486
0.00000
10
0.02786
-0.04486
0.00000
11
-0.03397
-0.02275
0.00000
12
-0.03397
0.02275
0.00000
13
-0.03397
0.02275
0.00000
14
-0.03397
-0.02275
0.00000
15
-0.06286
0.00000
0.00000
16
-0.06286
0.00000
0.00000
17
-0.00955
-0.02591
0.00000
18
-0.00955
0.02591
0.00000
19
-0.00955
0.02591
0.00000
20
-0.00955
-0.02591
0.00000
21
0.04052
-0.06082
0.00000
22
0.04052
0.06082
0.00000
23
0.04052
0.06082
0.00000
24
0.04052
-0.06082
0.00000
25
0.03163
-0.07023
0.00000
26
0.03163
0.07023
0.00000
27
0.03163
0.07023
0.00000
28
0.03163
-0.07023
0.00000
29
-0.06244
0.00000
0.00000
30
-0.06244
0.00000
0.00000
31
-0.00968
0.01361
0.00000
32
-0.00968
-0.01361
0.00000
33
-0.00968
-0.01361
0.00000
34
-0.00968
0.01361
0.00000
35
0.07165
-0.04373
0.00000
36
0.07165
0.04373
0.00000
37
0.07164
0.04373
0.00000
38
0.07165
-0.04373
0.00000
39
0.02939
-0.07027
0.00000
40
0.02939
0.07027
0.00000
41
0.02939
0.07027
0.00000
42
0.02939
-0.07027
0.00000