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)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00656
0.00000
2
0.00000
0.00656
0.00000
3
0.06363
0.01022
0.00000
4
0.06363
-0.01022
0.00000
5
-0.06363
0.01022
0.00000
6
-0.06363
-0.01022
0.00000
7
-0.03016
-0.00029
0.00000
8
-0.03016
0.00029
0.00000
9
0.03016
-0.00029
0.00000
10
0.03016
0.00029
0.00000
11
0.00025
0.05218
0.00000
12
0.00025
-0.05218
0.00000
13
-0.00025
0.05218
0.00000
14
-0.00025
-0.05218
0.00000
15
0.00000
-0.01174
0.00000
16
0.00000
0.01174
0.00000
17
0.00204
-0.00363
0.00000
18
0.00204
0.00363
0.00000
19
-0.00205
-0.00363
0.00000
20
-0.00205
0.00363
0.00000
21
0.01020
-0.01577
0.00000
22
0.01020
0.01576
0.00000
23
-0.01021
-0.01576
0.00000
24
-0.01020
0.01576
0.00000
25
-0.00701
0.00080
0.00000
26
-0.00701
-0.00080
0.00000
27
0.00701
0.00080
0.00000
28
0.00701
-0.00080
0.00000
29
0.00000
-0.47212
0.00000
30
0.00000
0.47212
0.00000
31
0.00492
-0.01252
0.00000
32
0.00492
0.01252
0.00000
33
-0.00492
-0.01253
0.00000
34
-0.00492
0.01253
0.00000
35
-0.08663
-0.07495
0.00000
36
-0.08663
0.07495
0.00000
37
0.08663
-0.07494
0.00000
38
0.08663
0.07494
0.00000
39
0.13622
-0.07729
0.00000
40
0.13622
0.07729
0.00000
41
-0.13621
-0.07729
0.00000
42
-0.13621
0.07729
0.00000