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)
0.00000
Diff mu Z
(Debye)
0.52000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00885
0.03081
2
0.00000
0.00885
0.03081
3
0.00000
-0.00393
0.05320
4
0.00000
-0.00387
0.03600
5
0.00000
0.00387
0.03600
6
0.00000
0.00393
0.05320
7
0.00000
0.00100
0.03902
8
0.00000
-0.02204
0.00477
9
0.00000
0.02204
0.00477
10
0.00000
-0.00100
0.03902
11
0.00000
0.02109
-0.01285
12
0.00000
0.01012
-0.08735
13
0.00000
-0.01012
-0.08735
14
0.00000
-0.02109
-0.01285
15
0.00000
-0.01481
-0.03213
16
0.00000
0.01481
-0.03213
17
0.00000
0.05419
-0.03437
18
0.00000
0.09158
0.00790
19
0.00000
-0.09158
0.00790
20
0.00000
-0.05419
-0.03437
21
0.00000
0.01975
-0.01866
22
0.00000
0.00135
0.05776
23
0.00000
-0.00135
0.05776
24
0.00000
-0.01975
-0.01866
25
0.00000
0.06601
-0.02587
26
0.00000
-0.06601
-0.02587
27
0.00000
0.00926
-0.00207
28
0.00000
-0.00926
-0.00207
29
0.00000
0.05514
-0.01885
30
0.00000
0.09181
-0.00116
31
0.00000
-0.09181
-0.00116
32
0.00000
-0.05514
-0.01885
33
0.00000
-0.03826
-0.05347
34
0.00000
-0.02822
0.04144
35
0.00000
0.02822
0.04144
36
0.00000
0.03826
-0.05347
37
0.00000
-0.03474
-0.03147
38
0.00000
0.05799
-0.06153
39
0.00000
-0.05799
-0.06153
40
0.00000
0.03474
-0.03147
41
0.00000
0.06580
-0.06730
42
0.00000
-0.06580
-0.06730