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)
-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)
0.00000
Diff mu Z
(Debye)
0.07400
Eigenvectors
#
X
Y
Z
1
0.00000
0.04789
0.03223
2
0.00000
-0.04789
0.03223
3
0.00000
0.00948
0.04019
4
0.00000
-0.01854
0.02254
5
0.00000
0.01854
0.02254
6
0.00000
-0.00948
0.04019
7
0.00000
-0.00420
0.01537
8
0.00000
-0.05845
0.00492
9
0.00000
0.05845
0.00492
10
0.00000
0.00420
0.01537
11
0.00000
0.00099
-0.01201
12
0.00000
-0.00613
-0.02056
13
0.00000
0.00613
-0.02056
14
0.00000
-0.00099
-0.01201
15
0.00000
0.07371
0.01141
16
0.00000
-0.07371
0.01141
17
0.00000
0.04427
-0.01299
18
0.00000
-0.10349
0.00736
19
0.00000
0.10349
0.00736
20
0.00000
-0.04427
-0.01299
21
0.00000
0.00159
0.00270
22
0.00000
-0.08334
0.00444
23
0.00000
0.08334
0.00444
24
0.00000
-0.00159
0.00270
25
0.00000
-0.01003
-0.03365
26
0.00000
0.01003
-0.03365
27
0.00000
0.00113
-0.05041
28
0.00000
-0.00113
-0.05041
29
0.00000
0.04596
-0.05293
30
0.00000
-0.10534
0.00181
31
0.00000
0.10534
0.00181
32
0.00000
-0.04596
-0.05293
33
0.00000
-0.02194
-0.01398
34
0.00000
-0.07563
0.01069
35
0.00000
0.07563
0.01069
36
0.00000
0.02194
-0.01398
37
0.00000
0.01231
-0.04590
38
0.00000
0.02766
0.00034
39
0.00000
-0.02766
0.00034
40
0.00000
-0.01231
-0.04590
41
0.00000
-0.00879
-0.03749
42
0.00000
0.00879
-0.03749