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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.30800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.07739
2
0.00000
0.00000
0.07739
3
0.00000
0.00000
-0.02876
4
0.00000
0.00000
-0.02876
5
0.00000
0.00000
-0.02876
6
0.00000
0.00000
-0.02876
7
0.00000
0.00000
-0.05535
8
0.00000
0.00000
-0.05535
9
0.00000
0.00000
-0.05535
10
0.00000
0.00000
-0.05535
11
0.00000
0.00000
0.01181
12
0.00000
0.00000
0.01181
13
0.00000
0.00000
0.01181
14
0.00000
0.00000
0.01181
15
0.00000
0.00000
-0.03664
16
0.00000
0.00000
-0.03664
17
0.00000
0.00000
0.04534
18
0.00000
0.00000
0.04534
19
0.00000
0.00000
0.04534
20
0.00000
0.00000
0.04534
21
0.00000
0.00000
-0.05903
22
0.00000
0.00000
-0.05903
23
0.00000
0.00000
-0.05903
24
0.00000
0.00000
-0.05903
25
0.00000
0.00000
0.05389
26
0.00000
0.00000
0.05389
27
0.00000
0.00000
0.05389
28
0.00000
0.00000
0.05389
29
0.00000
0.00000
-0.07711
30
0.00000
0.00000
-0.07711
31
0.00000
0.00000
0.10549
32
0.00000
0.00000
0.10549
33
0.00000
0.00000
0.10549
34
0.00000
0.00000
0.10549
35
0.00000
0.00000
-0.10358
36
0.00000
0.00000
-0.10358
37
0.00000
0.00000
-0.10358
38
0.00000
0.00000
-0.10358
39
0.00000
0.00000
0.17624
40
0.00000
0.00000
0.17624
41
0.00000
0.00000
0.17624
42
0.00000
0.00000
0.17624