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)
-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)
-0.12800
Eigenvectors
#
X
Y
Z
1
0.00000
0.02334
0.03301
2
0.00000
-0.02334
0.03301
3
0.00000
0.05576
-0.02653
4
0.00000
0.07512
-0.06964
5
0.00000
-0.07512
-0.06965
6
0.00000
-0.05576
-0.02652
7
0.00000
-0.03463
0.01857
8
0.00000
-0.03731
0.09394
9
0.00000
0.03731
0.09395
10
0.00000
0.03463
0.01856
11
0.00000
-0.00055
-0.00315
12
0.00000
-0.06826
-0.03042
13
0.00000
0.06825
-0.03042
14
0.00000
0.00055
-0.00314
15
0.00000
-0.04364
0.00605
16
0.00000
0.04365
0.00605
17
0.00000
0.00727
-0.03162
18
0.00000
-0.00911
-0.01989
19
0.00000
0.00911
-0.01990
20
0.00000
-0.00727
-0.03161
21
0.00000
0.01610
0.01988
22
0.00000
0.00519
-0.00776
23
0.00000
-0.00520
-0.00776
24
0.00000
-0.01609
0.01988
25
0.00000
0.00384
0.01238
26
0.00000
-0.00384
0.01238
27
0.00000
-0.01187
-0.00873
28
0.00000
0.01186
-0.00872
29
0.00000
0.00604
-0.00601
30
0.00000
-0.00924
0.10961
31
0.00000
0.00924
0.10961
32
0.00000
-0.00604
-0.00602
33
0.00000
0.02774
0.02744
34
0.00000
0.15021
0.07635
35
0.00000
-0.15022
0.07636
36
0.00000
-0.02774
0.02744
37
0.00000
0.00834
0.00251
38
0.00000
-0.03534
-0.00635
39
0.00000
0.03535
-0.00636
40
0.00000
-0.00832
0.00250
41
0.00000
0.00368
-0.03790
42
0.00000
-0.00368
-0.03793