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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.05074
0.00000
2
0.00000
0.05074
0.00000
3
0.02871
0.01996
0.00000
4
0.02871
-0.01996
0.00000
5
-0.02871
0.01996
0.00000
6
-0.02871
-0.01996
0.00000
7
-0.01615
0.02337
0.00000
8
-0.01615
-0.02337
0.00000
9
0.01615
0.02337
0.00000
10
0.01615
-0.02337
0.00000
11
-0.03291
0.00896
0.00000
12
-0.03291
-0.00896
0.00000
13
0.03291
0.00896
0.00000
14
0.03291
-0.00896
0.00000
15
0.00000
-0.05628
0.00000
16
0.00000
0.05629
0.00000
17
-0.00648
0.03315
0.00000
18
-0.00648
-0.03315
0.00000
19
0.00648
0.03315
0.00000
20
0.00648
-0.03315
0.00000
21
0.04629
0.01105
0.00000
22
0.04629
-0.01105
0.00000
23
-0.04629
0.01105
0.00000
24
-0.04629
-0.01105
0.00000
25
-0.00704
-0.02493
0.00000
26
-0.00703
0.02493
0.00000
27
0.00704
-0.02493
0.00000
28
0.00704
0.02493
0.00000
29
0.00000
0.27276
0.00000
30
0.00000
-0.27276
0.00000
31
-0.00511
-0.21268
0.00000
32
-0.00512
0.21269
0.00000
33
0.00511
-0.21269
0.00000
34
0.00511
0.21269
0.00000
35
-0.16949
-0.11809
0.00000
36
-0.16950
0.11809
0.00000
37
0.16949
-0.11809
0.00000
38
0.16949
0.11809
0.00000
39
-0.04546
-0.01048
0.00000
40
-0.04546
0.01048
0.00000
41
0.04546
-0.01049
0.00000
42
0.04546
0.01049
0.00000