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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00000
2
0.00000
0.00000
0.00000
3
0.00000
0.00000
0.01630
4
0.00000
0.00000
0.01630
5
0.00000
0.00000
-0.01630
6
0.00000
0.00000
-0.01630
7
0.00000
0.00000
0.06407
8
0.00000
0.00000
0.06407
9
0.00000
0.00000
-0.06407
10
0.00000
0.00000
-0.06407
11
0.00000
0.00000
-0.03010
12
0.00000
0.00000
-0.03010
13
0.00000
0.00000
0.03010
14
0.00000
0.00000
0.03010
15
0.00000
0.00000
0.00000
16
0.00000
0.00000
0.00000
17
0.00000
0.00000
-0.08610
18
0.00000
0.00000
-0.08610
19
0.00000
0.00000
0.08610
20
0.00000
0.00000
0.08610
21
0.00000
0.00000
-0.03631
22
0.00000
0.00000
-0.03631
23
0.00000
0.00000
0.03631
24
0.00000
0.00000
0.03631
25
0.00000
0.00000
0.05917
26
0.00000
0.00000
0.05917
27
0.00000
0.00000
-0.05917
28
0.00000
0.00000
-0.05917
29
0.00000
0.00000
0.00000
30
0.00000
0.00000
0.00000
31
0.00000
0.00000
-0.15352
32
0.00000
0.00000
-0.15352
33
0.00000
0.00000
0.15352
34
0.00000
0.00000
0.15352
35
0.00000
0.00000
-0.06642
36
0.00000
0.00000
-0.06642
37
0.00000
0.00000
0.06642
38
0.00000
0.00000
0.06642
39
0.00000
0.00000
0.10764
40
0.00000
0.00000
0.10764
41
0.00000
0.00000
-0.10764
42
0.00000
0.00000
-0.10764