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)
-1073.90161
Description
D0
Multiplicity
2
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)
0.00793 b
(cm-1)
0.00763 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)
4.64700
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00042
0.00000
0.00000
2
-0.00042
0.00000
0.00000
3
-0.00027
-0.00026
0.00000
4
-0.00027
0.00026
0.00000
5
-0.00027
0.00026
0.00000
6
-0.00027
-0.00026
0.00000
7
-0.00010
-0.00035
0.00000
8
-0.00010
0.00035
0.00000
9
-0.00010
0.00035
0.00000
10
-0.00010
-0.00035
0.00000
11
-0.00004
-0.00055
0.00000
12
-0.00004
0.00055
0.00000
13
-0.00004
0.00055
0.00000
14
-0.00004
-0.00055
0.00000
15
-0.03178
0.00000
0.00000
16
-0.03178
0.00000
0.00000
17
-0.03209
-0.00185
0.00000
18
-0.03209
0.00185
0.00000
19
-0.03209
0.00185
0.00000
20
-0.03209
-0.00185
0.00000
21
-0.00243
0.00478
0.00000
22
-0.00243
-0.00478
0.00000
23
-0.00243
-0.00478
0.00000
24
-0.00243
0.00478
0.00000
25
0.00258
0.00439
0.00000
26
0.00258
-0.00439
0.00000
27
0.00258
-0.00439
0.00000
28
0.00258
0.00439
0.00000
29
0.39122
0.00000
0.00000
30
0.39122
0.00000
0.00000
31
0.38277
0.01000
0.00000
32
0.38277
-0.01000
0.00000
33
0.38277
-0.01000
0.00000
34
0.38277
0.01000
0.00000
35
0.02542
-0.04538
0.00000
36
0.02542
0.04538
0.00000
37
0.02542
0.04538
0.00000
38
0.02542
-0.04538
0.00000
39
-0.02701
-0.05014
0.00000
40
-0.02701
0.05014
0.00000
41
-0.02701
0.05014
0.00000
42
-0.02701
-0.05014
0.00000