Charge: 1
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+1
Electronic States
Energy
(eV)
-1074.15550
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00573 c
(cm-1)
0.00372
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.14026
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)
-0.54800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00313
-0.02670
2
0.00000
-0.00313
-0.02670
3
0.00000
0.00438
-0.05775
4
0.00000
-0.00692
-0.00918
5
0.00000
0.00692
-0.00918
6
0.00000
-0.00438
-0.05775
7
0.00000
-0.00996
-0.06472
8
0.00000
-0.01953
0.01293
9
0.00000
0.01953
0.01293
10
0.00000
0.00996
-0.06472
11
0.00000
0.00601
-0.04635
12
0.00000
-0.00066
0.00471
13
0.00000
0.00066
0.00471
14
0.00000
-0.00601
-0.04635
15
0.00000
0.00993
0.02190
16
0.00000
-0.00993
0.02190
17
0.00000
-0.03960
-0.02061
18
0.00000
-0.02578
0.05190
19
0.00000
0.02578
0.05190
20
0.00000
0.03960
-0.02061
21
0.00000
-0.01240
-0.04687
22
0.00000
-0.02843
0.06584
23
0.00000
0.02843
0.06584
24
0.00000
0.01240
-0.04687
25
0.00000
0.08320
0.01708
26
0.00000
-0.08320
0.01708
27
0.00000
0.00333
0.08681
28
0.00000
-0.00333
0.08681
29
0.00000
-0.03884
-0.04013
30
0.00000
-0.02606
0.04232
31
0.00000
0.02606
0.04232
32
0.00000
0.03884
-0.04013
33
0.00000
0.02698
-0.02337
34
0.00000
-0.00664
0.07884
35
0.00000
0.00664
0.07884
36
0.00000
-0.02698
-0.02337
37
0.00000
-0.06547
0.04687
38
0.00000
0.00879
0.01124
39
0.00000
-0.00879
0.01124
40
0.00000
0.06547
0.04687
41
0.00000
0.08068
0.01526
42
0.00000
-0.08068
0.01526