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)
0.76000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00666
-0.08369
2
0.00000
-0.00666
0.08369
3
0.00000
0.02798
0.04802
4
0.00000
-0.02000
-0.04324
5
0.00000
-0.02000
0.04324
6
0.00000
0.02798
-0.04802
7
0.00000
-0.03031
0.01571
8
0.00000
0.01332
-0.03554
9
0.00000
0.01332
0.03554
10
0.00000
-0.03031
-0.01571
11
0.00000
0.01524
0.00080
12
0.00000
0.00448
0.02952
13
0.00000
0.00448
-0.02952
14
0.00000
0.01524
-0.00080
15
0.00000
-0.00377
-0.00891
16
0.00000
-0.00377
0.00891
17
0.00000
0.02929
0.05041
18
0.00000
-0.01138
-0.06586
19
0.00000
-0.01138
0.06586
20
0.00000
0.02929
-0.05041
21
0.00000
-0.03913
-0.06236
22
0.00000
0.01704
0.05695
23
0.00000
0.01704
-0.05695
24
0.00000
-0.03913
0.06236
25
0.00000
0.00006
-0.00059
26
0.00000
0.00006
0.00059
27
0.00000
-0.00660
-0.00928
28
0.00000
-0.00660
0.00928
29
0.00000
0.03495
-0.07227
30
0.00000
-0.01641
0.14798
31
0.00000
-0.01641
-0.14798
32
0.00000
0.03495
0.07227
33
0.00000
0.21716
0.08998
34
0.00000
-0.10335
-0.01006
35
0.00000
-0.10335
0.01006
36
0.00000
0.21716
-0.08998
37
0.00000
0.04856
0.02436
38
0.00000
-0.05655
-0.01038
39
0.00000
-0.05655
0.01038
40
0.00000
0.04856
-0.02436
41
0.00000
-0.00039
0.01198
42
0.00000
-0.00039
-0.01198