Charge: 1
Inchi:1S/C28H14/c1-2-4-20-19(3-1)21-13-11-17-9-7-15-5-6-16-8-10-18-12-14-22(20)28-26(18)24(16)23(15)25(17)27(21)28/h1-14H/q+1
Electronic States
Energy
(eV)
-1074.15550
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00573 c
(cm-1)
0.00372
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.14026
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)
-0.65900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00007
0.00012
2
0.00000
-0.00007
0.00012
3
0.00000
-0.00008
0.00021
4
0.00000
-0.00004
-0.00002
5
0.00000
0.00004
-0.00002
6
0.00000
0.00008
0.00021
7
0.00000
0.00002
-0.00012
8
0.00000
-0.00128
-0.00132
9
0.00000
0.00128
-0.00132
10
0.00000
-0.00002
-0.00012
11
0.00000
-0.00001
-0.00005
12
0.00000
-0.00583
0.00807
13
0.00000
0.00583
0.00807
14
0.00000
0.00001
-0.00005
15
0.00000
0.00021
-0.00171
16
0.00000
-0.00021
-0.00171
17
0.00000
-0.01455
-0.00005
18
0.00000
-0.03399
0.00077
19
0.00000
0.03399
0.00077
20
0.00000
0.01455
-0.00005
21
0.00000
0.00175
-0.00160
22
0.00000
0.02101
-0.03578
23
0.00000
-0.02101
-0.03578
24
0.00000
-0.00175
-0.00160
25
0.00000
-0.00103
0.00025
26
0.00000
0.00103
0.00025
27
0.00000
0.00105
-0.00175
28
0.00000
-0.00105
-0.00175
29
0.00000
0.16618
0.00115
30
0.00000
0.41196
0.00003
31
0.00000
-0.41196
0.00003
32
0.00000
-0.16618
0.00115
33
0.00000
-0.01863
0.02992
34
0.00000
-0.24806
0.43177
35
0.00000
0.24806
0.43177
36
0.00000
0.01863
0.02992
37
0.00000
-0.01163
0.01919
38
0.00000
0.05406
-0.08851
39
0.00000
-0.05406
-0.08851
40
0.00000
0.01163
0.01919
41
0.00000
0.01231
-0.00074
42
0.00000
-0.01231
-0.00074