Charge: 2
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+2
Electronic States
Energy
(eV)
-1073.52965
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01071 b
(cm-1)
0.00574 c
(cm-1)
0.00373
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.04297
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)
-1.03600
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00899
0.09674
2
0.00000
0.00899
0.09674
3
0.00000
-0.09264
-0.06991
4
0.00000
-0.07941
-0.05063
5
0.00000
0.07940
-0.05063
6
0.00000
0.09264
-0.06989
7
0.00000
-0.01202
0.04362
8
0.00000
-0.01807
0.01281
9
0.00000
0.01809
0.01282
10
0.00000
0.01202
0.04360
11
0.00000
0.00942
-0.01718
12
0.00000
0.02032
0.00051
13
0.00000
-0.02031
0.00050
14
0.00000
-0.00942
-0.01716
15
0.00000
0.02835
0.00976
16
0.00000
-0.02834
0.00975
17
0.00000
-0.01292
-0.01202
18
0.00000
-0.00131
-0.03398
19
0.00000
0.00131
-0.03399
20
0.00000
0.01291
-0.01202
21
0.00000
0.02704
0.00142
22
0.00000
0.03566
0.02137
23
0.00000
-0.03568
0.02137
24
0.00000
-0.02703
0.00142
25
0.00000
-0.01055
-0.01201
26
0.00000
0.01055
-0.01200
27
0.00000
0.00479
0.00790
28
0.00000
-0.00479
0.00790
29
0.00000
-0.01357
0.01319
30
0.00000
-0.00177
-0.01356
31
0.00000
0.00176
-0.01355
32
0.00000
0.01356
0.01316
33
0.00000
0.01380
-0.00777
34
0.00000
-0.03872
-0.02252
35
0.00000
0.03869
-0.02251
36
0.00000
-0.01385
-0.00774
37
0.00000
-0.00202
0.00528
38
0.00000
-0.05603
-0.04659
39
0.00000
0.05600
-0.04659
40
0.00000
0.00204
0.00526
41
0.00000
-0.00992
0.09099
42
0.00000
0.00992
0.09091