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)
-1073.55865
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)
0.00795 b
(cm-1)
0.00762 c
(cm-1)
0.00389
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)
0.17700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00358
0.00000
2
0.00000
0.00358
0.00000
3
-0.07262
-0.02859
0.00000
4
0.07262
-0.02859
0.00000
5
0.07262
-0.02859
0.00000
6
-0.07262
-0.02859
0.00000
7
-0.03418
-0.03577
0.00000
8
0.03418
-0.03577
0.00000
9
0.03417
-0.03577
0.00000
10
-0.03417
-0.03577
0.00000
11
-0.01561
0.02890
0.00000
12
0.01561
0.02890
0.00000
13
0.01561
0.02890
0.00000
14
-0.01561
0.02890
0.00000
15
0.00000
0.07125
0.00000
16
0.00000
0.07125
0.00000
17
0.03295
-0.02093
0.00000
18
-0.03295
-0.02093
0.00000
19
-0.03295
-0.02093
0.00000
20
0.03295
-0.02093
0.00000
21
-0.00509
-0.03047
0.00000
22
0.00509
-0.03047
0.00000
23
0.00509
-0.03047
0.00000
24
-0.00509
-0.03047
0.00000
25
0.00357
0.05061
0.00000
26
-0.00357
0.05061
0.00000
27
-0.00357
0.05061
0.00000
28
0.00357
0.05061
0.00000
29
0.00000
0.12588
0.00000
30
0.00000
0.12588
0.00000
31
0.03649
-0.03174
0.00000
32
-0.03649
-0.03174
0.00000
33
-0.03649
-0.03174
0.00000
34
0.03649
-0.03174
0.00000
35
-0.13260
-0.10637
0.00000
36
0.13259
-0.10637
0.00000
37
0.13259
-0.10637
0.00000
38
-0.13259
-0.10637
0.00000
39
-0.01346
0.06124
0.00000
40
0.01346
0.06124
0.00000
41
0.01347
0.06125
0.00000
42
-0.01347
0.06125
0.00000