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)
0.28900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.09155
2
0.00000
0.00000
-0.09155
3
0.00000
0.00000
-0.06243
4
0.00000
0.00000
-0.06243
5
0.00000
0.00000
-0.06243
6
0.00000
0.00000
-0.06243
7
0.00000
0.00000
-0.04953
8
0.00000
0.00000
-0.04953
9
0.00000
0.00000
-0.04953
10
0.00000
0.00000
-0.04953
11
0.00000
0.00000
-0.00525
12
0.00000
0.00000
-0.00525
13
0.00000
0.00000
-0.00525
14
0.00000
0.00000
-0.00525
15
0.00000
0.00000
0.01542
16
0.00000
0.00000
0.01542
17
0.00000
0.00000
0.05924
18
0.00000
0.00000
0.05924
19
0.00000
0.00000
0.05924
20
0.00000
0.00000
0.05924
21
0.00000
0.00000
0.06447
22
0.00000
0.00000
0.06447
23
0.00000
0.00000
0.06447
24
0.00000
0.00000
0.06447
25
0.00000
0.00000
0.00766
26
0.00000
0.00000
0.00766
27
0.00000
0.00000
0.00766
28
0.00000
0.00000
0.00766
29
0.00000
0.00000
0.06678
30
0.00000
0.00000
0.06678
31
0.00000
0.00000
0.11033
32
0.00000
0.00000
0.11033
33
0.00000
0.00000
0.11033
34
0.00000
0.00000
0.11033
35
0.00000
0.00000
0.11780
36
0.00000
0.00000
0.11780
37
0.00000
0.00000
0.11780
38
0.00000
0.00000
0.11780
39
0.00000
0.00000
0.02327
40
0.00000
0.00000
0.02327
41
0.00000
0.00000
0.02327
42
0.00000
0.00000
0.02327