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)
0.33700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00002
0.00001
2
0.00000
-0.00002
-0.00001
3
0.00000
-0.00015
0.00023
4
0.00000
-0.00007
0.00001
5
0.00000
-0.00007
-0.00001
6
0.00000
-0.00015
-0.00023
7
0.00000
-0.00164
0.00008
8
0.00000
0.00018
0.00005
9
0.00000
0.00018
-0.00005
10
0.00000
-0.00164
-0.00008
11
0.00000
0.00079
-0.00129
12
0.00000
0.00024
-0.00078
13
0.00000
0.00024
0.00078
14
0.00000
0.00079
0.00129
15
0.00000
-0.00014
0.00071
16
0.00000
-0.00014
-0.00071
17
0.00000
0.00963
0.00138
18
0.00000
-0.00433
-0.00016
19
0.00000
-0.00433
0.00016
20
0.00000
0.00963
-0.00138
21
0.00000
0.02032
-0.03382
22
0.00000
-0.00297
0.00577
23
0.00000
-0.00297
-0.00577
24
0.00000
0.02032
0.03382
25
0.00000
-0.03937
0.00018
26
0.00000
-0.03937
-0.00018
27
0.00000
-0.00704
0.01524
28
0.00000
-0.00704
-0.01524
29
0.00000
-0.09831
-0.00139
30
0.00000
0.04932
0.00035
31
0.00000
0.04932
-0.00035
32
0.00000
-0.09831
0.00139
33
0.00000
-0.23386
0.37953
34
0.00000
0.03672
-0.06401
35
0.00000
0.03672
0.06401
36
0.00000
-0.23386
-0.37953
37
0.00000
0.09293
-0.16070
38
0.00000
-0.00483
0.00795
39
0.00000
-0.00483
-0.00795
40
0.00000
0.09293
0.16070
41
0.00000
0.45047
-0.00936
42
0.00000
0.45047
0.00936