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)
0.51400
Eigenvectors
#
X
Y
Z
1
0.00000
-0.03416
0.02098
2
0.00000
0.03416
0.02098
3
0.00000
0.04825
-0.00151
4
0.00000
0.01399
-0.02340
5
0.00000
-0.01399
-0.02340
6
0.00000
-0.04825
-0.00150
7
0.00000
-0.04400
-0.00418
8
0.00000
-0.02624
0.02193
9
0.00000
0.02624
0.02193
10
0.00000
0.04400
-0.00418
11
0.00000
0.03484
0.00143
12
0.00000
0.11508
0.01153
13
0.00000
-0.11508
0.01153
14
0.00000
-0.03484
0.00143
15
0.00000
0.02498
-0.05851
16
0.00000
-0.02498
-0.05852
17
0.00000
-0.01798
0.02392
18
0.00000
0.01004
0.07203
19
0.00000
-0.01005
0.07203
20
0.00000
0.01798
0.02392
21
0.00000
0.03518
0.00714
22
0.00000
-0.02103
-0.04403
23
0.00000
0.02103
-0.04403
24
0.00000
-0.03518
0.00714
25
0.00000
-0.01236
-0.00303
26
0.00000
0.01236
-0.00303
27
0.00000
0.02189
0.00593
28
0.00000
-0.02189
0.00593
29
0.00000
-0.02138
-0.05065
30
0.00000
0.01006
-0.12880
31
0.00000
-0.01006
-0.12880
32
0.00000
0.02138
-0.05066
33
0.00000
-0.06105
-0.05568
34
0.00000
0.05948
-0.00181
35
0.00000
-0.05948
-0.00180
36
0.00000
0.06105
-0.05569
37
0.00000
-0.02286
-0.02176
38
0.00000
-0.09195
-0.12489
39
0.00000
0.09194
-0.12489
40
0.00000
0.02286
-0.02176
41
0.00000
-0.01343
0.02357
42
0.00000
0.01343
0.02357