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)
-0.12600
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01882
0.04100
2
0.00000
0.01882
0.04100
3
0.00000
0.00061
-0.03656
4
0.00000
0.00677
0.09058
5
0.00000
-0.00676
0.09058
6
0.00000
-0.00063
-0.03656
7
0.00000
-0.02471
-0.07259
8
0.00000
-0.01112
0.02482
9
0.00000
0.01112
0.02482
10
0.00000
0.02471
-0.07260
11
0.00000
-0.03148
-0.05491
12
0.00000
0.01210
-0.05642
13
0.00000
-0.01210
-0.05642
14
0.00000
0.03148
-0.05492
15
0.00000
0.02400
0.00295
16
0.00000
-0.02400
0.00295
17
0.00000
0.05010
0.00717
18
0.00000
0.00512
-0.00140
19
0.00000
-0.00511
-0.00139
20
0.00000
-0.05011
0.00716
21
0.00000
-0.01859
0.02918
22
0.00000
0.04192
-0.04210
23
0.00000
-0.04193
-0.04211
24
0.00000
0.01860
0.02919
25
0.00000
-0.05332
0.01891
26
0.00000
0.05332
0.01891
27
0.00000
-0.01917
0.03670
28
0.00000
0.01918
0.03671
29
0.00000
0.05182
-0.04722
30
0.00000
0.00599
0.09829
31
0.00000
-0.00598
0.09830
32
0.00000
-0.05183
-0.04724
33
0.00000
0.01048
0.04372
34
0.00000
0.03303
-0.04975
35
0.00000
-0.03306
-0.04976
36
0.00000
-0.01047
0.04372
37
0.00000
-0.00119
0.05223
38
0.00000
0.08520
-0.01806
39
0.00000
-0.08520
-0.01806
40
0.00000
0.00119
0.05224
41
0.00000
-0.05721
0.07173
42
0.00000
0.05720
0.07172