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)
0.01800
Eigenvectors
#
X
Y
Z
1
0.00000
0.02747
-0.02510
2
0.00000
-0.02747
-0.02510
3
0.00000
-0.05890
0.03068
4
0.00000
0.03934
0.00548
5
0.00000
-0.03934
0.00548
6
0.00000
0.05890
0.03068
7
0.00000
0.05584
-0.02995
8
0.00000
-0.02026
0.00156
9
0.00000
0.02026
0.00156
10
0.00000
-0.05584
-0.02995
11
0.00000
-0.08737
0.00654
12
0.00000
0.04098
0.00608
13
0.00000
-0.04098
0.00608
14
0.00000
0.08737
0.00654
15
0.00000
-0.01444
0.04220
16
0.00000
0.01444
0.04219
17
0.00000
-0.00372
-0.06657
18
0.00000
0.00168
-0.01071
19
0.00000
-0.00167
-0.01071
20
0.00000
0.00372
-0.06657
21
0.00000
0.00076
0.03801
22
0.00000
0.00074
-0.00136
23
0.00000
-0.00074
-0.00135
24
0.00000
-0.00076
0.03801
25
0.00000
0.04367
0.02193
26
0.00000
-0.04367
0.02193
27
0.00000
-0.08133
-0.03094
28
0.00000
0.08133
-0.03094
29
0.00000
-0.00696
0.10227
30
0.00000
0.00307
0.02862
31
0.00000
-0.00307
0.02863
32
0.00000
0.00696
0.10227
33
0.00000
-0.03634
0.02098
34
0.00000
0.00988
0.00359
35
0.00000
-0.00987
0.00359
36
0.00000
0.03634
0.02098
37
0.00000
0.07891
0.06294
38
0.00000
-0.03956
-0.04372
39
0.00000
0.03956
-0.04372
40
0.00000
-0.07891
0.06294
41
0.00000
0.04647
-0.02994
42
0.00000
-0.04647
-0.02994