Charge: -1
Inchi:1S/C28H14/c1-5-15-13-16-6-3-11-21-22-12-4-8-18-14-17-7-2-10-20-19(9-1)23(15)27(25(16)21)28(24(17)20)26(18)22/h1-14H/q-1
Electronic States
Energy
(eV)
-1073.55865
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
D2h
Symmetry Elements
E
C2(z)
C2(y)
C2(x)
i
sigmah(xy)
sigmah(xz)
sigmah(yz)
Rotational Constants
(cm-1)
0.00795 b
(cm-1)
0.00762 c
(cm-1)
0.00389
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.57000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02125
0.00000
0.00000
2
-0.02125
0.00000
0.00000
3
-0.01941
-0.02248
0.00000
4
-0.01941
0.02248
0.00000
5
-0.01941
0.02248
0.00000
6
-0.01941
-0.02248
0.00000
7
0.02487
-0.04308
0.00000
8
0.02487
0.04308
0.00000
9
0.02487
0.04308
0.00000
10
0.02487
-0.04308
0.00000
11
-0.03359
-0.02236
0.00000
12
-0.03359
0.02236
0.00000
13
-0.03359
0.02236
0.00000
14
-0.03359
-0.02236
0.00000
15
-0.06160
0.00000
0.00000
16
-0.06160
0.00000
0.00000
17
-0.01095
-0.02332
0.00000
18
-0.01095
0.02332
0.00000
19
-0.01096
0.02331
0.00000
20
-0.01096
-0.02331
0.00000
21
0.04082
-0.06064
0.00000
22
0.04082
0.06064
0.00000
23
0.04083
0.06064
0.00000
24
0.04083
-0.06064
0.00000
25
0.03422
-0.07214
0.00000
26
0.03422
0.07214
0.00000
27
0.03422
0.07214
0.00000
28
0.03422
-0.07214
0.00000
29
-0.06174
0.00000
0.00000
30
-0.06174
0.00000
0.00000
31
-0.01105
0.01595
0.00000
32
-0.01105
-0.01595
0.00000
33
-0.01105
-0.01596
0.00000
34
-0.01105
0.01596
0.00000
35
0.07394
-0.04253
0.00000
36
0.07394
0.04252
0.00000
37
0.07394
0.04252
0.00000
38
0.07394
-0.04252
0.00000
39
0.03305
-0.07307
0.00000
40
0.03305
0.07307
0.00000
41
0.03305
0.07308
0.00000
42
0.03305
-0.07308
0.00000