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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.02080
2
0.00000
0.00000
-0.02080
3
0.00000
0.00000
-0.02561
4
0.00000
0.00000
0.02561
5
0.00000
0.00000
-0.02561
6
0.00000
0.00000
0.02561
7
0.00000
0.00000
0.05119
8
0.00000
0.00000
-0.05119
9
0.00000
0.00000
0.05119
10
0.00000
0.00000
-0.05119
11
0.00000
0.00000
0.04017
12
0.00000
0.00000
-0.04017
13
0.00000
0.00000
0.04017
14
0.00000
0.00000
-0.04017
15
0.00000
0.00000
-0.06818
16
0.00000
0.00000
0.06818
17
0.00000
0.00000
0.00509
18
0.00000
0.00000
-0.00509
19
0.00000
0.00000
0.00509
20
0.00000
0.00000
-0.00509
21
0.00000
0.00000
-0.00184
22
0.00000
0.00000
0.00184
23
0.00000
0.00000
-0.00184
24
0.00000
0.00000
0.00184
25
0.00000
0.00000
-0.05361
26
0.00000
0.00000
0.05361
27
0.00000
0.00000
-0.05361
28
0.00000
0.00000
0.05361
29
0.00000
0.00000
0.32622
30
0.00000
0.00000
-0.32622
31
0.00000
0.00000
-0.12598
32
0.00000
0.00000
0.12598
33
0.00000
0.00000
-0.12598
34
0.00000
0.00000
0.12598
35
0.00000
0.00000
0.11215
36
0.00000
0.00000
-0.11215
37
0.00000
0.00000
0.11215
38
0.00000
0.00000
-0.11215
39
0.00000
0.00000
0.20823
40
0.00000
0.00000
-0.20823
41
0.00000
0.00000
0.20823
42
0.00000
0.00000
-0.20823