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)
-1073.90487
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01067 b
(cm-1)
0.00577 c
(cm-1)
0.00374
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.09400
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.80200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01847
0.03081
2
0.00000
0.01847
-0.03081
3
0.00000
-0.01058
0.02602
4
0.00000
0.03829
-0.02554
5
0.00000
0.03829
0.02554
6
0.00000
-0.01058
-0.02602
7
0.00000
-0.04094
0.03226
8
0.00000
0.04074
-0.04047
9
0.00000
0.04074
0.04047
10
0.00000
-0.04094
-0.03226
11
0.00000
-0.06367
0.02903
12
0.00000
0.01769
-0.02358
13
0.00000
0.01769
0.02358
14
0.00000
-0.06367
-0.02903
15
0.00000
0.02009
0.04774
16
0.00000
0.02009
-0.04774
17
0.00000
-0.01560
0.03426
18
0.00000
0.03787
-0.05359
19
0.00000
0.03787
0.05359
20
0.00000
-0.01560
-0.03426
21
0.00000
-0.04222
0.04165
22
0.00000
0.04711
-0.05799
23
0.00000
0.04711
0.05799
24
0.00000
-0.04222
-0.04165
25
0.00000
-0.04409
0.05406
26
0.00000
-0.04409
-0.05406
27
0.00000
-0.00398
0.03253
28
0.00000
-0.00398
-0.03253
29
0.00000
-0.01585
-0.00189
30
0.00000
0.03790
-0.04028
31
0.00000
0.03790
0.04028
32
0.00000
-0.01585
0.00189
33
0.00000
-0.04053
0.04325
34
0.00000
0.04441
-0.05936
35
0.00000
0.04441
0.05936
36
0.00000
-0.04053
-0.04325
37
0.00000
0.03768
0.05686
38
0.00000
-0.00967
-0.03942
39
0.00000
-0.00967
0.03942
40
0.00000
0.03768
-0.05686
41
0.00000
-0.04427
0.07836
42
0.00000
-0.04427
-0.07836