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)
-0.37900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.03231
0.02361
2
0.00000
0.03231
-0.02361
3
0.00000
-0.00391
-0.01782
4
0.00000
-0.02308
-0.02675
5
0.00000
-0.02308
0.02675
6
0.00000
-0.00391
0.01783
7
0.00000
-0.05793
-0.05776
8
0.00000
0.03742
0.02144
9
0.00000
0.03742
-0.02144
10
0.00000
-0.05793
0.05775
11
0.00000
0.06552
0.05077
12
0.00000
0.00096
0.00947
13
0.00000
0.00096
-0.00947
14
0.00000
0.06551
-0.05076
15
0.00000
0.01708
-0.03390
16
0.00000
0.01708
0.03390
17
0.00000
0.00590
0.00114
18
0.00000
-0.01135
0.01628
19
0.00000
-0.01135
-0.01628
20
0.00000
0.00590
-0.00114
21
0.00000
-0.01576
-0.00674
22
0.00000
0.00193
-0.00826
23
0.00000
0.00193
0.00827
24
0.00000
-0.01575
0.00674
25
0.00000
-0.02266
0.03163
26
0.00000
-0.02266
-0.03163
27
0.00000
-0.00005
-0.02180
28
0.00000
-0.00004
0.02179
29
0.00000
0.00477
0.36506
30
0.00000
-0.01154
-0.12551
31
0.00000
-0.01154
0.12551
32
0.00000
0.00476
-0.36505
33
0.00000
0.03299
0.02352
34
0.00000
-0.11829
-0.07882
35
0.00000
-0.11827
0.07881
36
0.00000
0.03298
-0.02352
37
0.00000
-0.09438
-0.07868
38
0.00000
-0.10595
-0.05425
39
0.00000
-0.10597
0.05426
40
0.00000
-0.09438
0.07868
41
0.00000
-0.02184
0.14978
42
0.00000
-0.02184
-0.14980