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)
-1074.14485
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00579 c
(cm-1)
0.00375
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03021
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)
0.22600
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00016
0.00006
2
0.00000
0.00016
0.00006
3
0.00000
-0.00018
0.00031
4
0.00000
-0.00001
0.00002
5
0.00000
0.00001
0.00002
6
0.00000
0.00018
0.00031
7
0.00000
-0.00146
-0.00034
8
0.00000
0.00004
0.00001
9
0.00000
-0.00004
0.00001
10
0.00000
0.00146
-0.00034
11
0.00000
0.00021
-0.00135
12
0.00000
-0.00006
0.00009
13
0.00000
0.00006
0.00009
14
0.00000
-0.00021
-0.00135
15
0.00000
-0.00024
0.00073
16
0.00000
0.00024
0.00073
17
0.00000
0.01261
0.00140
18
0.00000
-0.00093
-0.00010
19
0.00000
0.00094
-0.00010
20
0.00000
-0.01261
0.00140
21
0.00000
0.02033
-0.03468
22
0.00000
-0.00012
0.00032
23
0.00000
0.00013
0.00033
24
0.00000
-0.02033
-0.03468
25
0.00000
-0.03307
-0.00091
26
0.00000
0.03307
-0.00091
27
0.00000
-0.01409
0.02413
28
0.00000
0.01409
0.02413
29
0.00000
-0.13143
-0.00172
30
0.00000
0.01021
-0.00036
31
0.00000
-0.01022
-0.00036
32
0.00000
0.13143
-0.00172
33
0.00000
-0.23733
0.39144
34
0.00000
0.00198
-0.00382
35
0.00000
-0.00199
-0.00385
36
0.00000
0.23732
0.39144
37
0.00000
0.15163
-0.25882
38
0.00000
0.00063
-0.00109
39
0.00000
-0.00063
-0.00109
40
0.00000
-0.15163
-0.25881
41
0.00000
0.36827
-0.00300
42
0.00000
-0.36827
-0.00300