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
-0.00920
2
0.00000
0.00000
0.00920
3
0.00000
0.00000
0.01098
4
0.00000
0.00000
-0.01098
5
0.00000
0.00000
0.01098
6
0.00000
0.00000
-0.01098
7
0.00000
0.00000
0.09860
8
0.00000
0.00000
-0.09860
9
0.00000
0.00000
0.09860
10
0.00000
0.00000
-0.09860
11
0.00000
0.00000
-0.07506
12
0.00000
0.00000
0.07506
13
0.00000
0.00000
-0.07506
14
0.00000
0.00000
0.07506
15
0.00000
0.00000
0.02818
16
0.00000
0.00000
-0.02818
17
0.00000
0.00000
0.01229
18
0.00000
0.00000
-0.01229
19
0.00000
0.00000
0.01229
20
0.00000
0.00000
-0.01229
21
0.00000
0.00000
-0.00069
22
0.00000
0.00000
0.00069
23
0.00000
0.00000
-0.00069
24
0.00000
0.00000
0.00069
25
0.00000
0.00000
0.00499
26
0.00000
0.00000
-0.00499
27
0.00000
0.00000
0.00499
28
0.00000
0.00000
-0.00499
29
0.00000
0.00000
0.23356
30
0.00000
0.00000
-0.23356
31
0.00000
0.00000
0.03863
32
0.00000
0.00000
-0.03863
33
0.00000
0.00000
0.03863
34
0.00000
0.00000
-0.03863
35
0.00000
0.00000
-0.05651
36
0.00000
0.00000
0.05651
37
0.00000
0.00000
-0.05651
38
0.00000
0.00000
0.05651
39
0.00000
0.00000
-0.15646
40
0.00000
0.00000
0.15646
41
0.00000
0.00000
-0.15646
42
0.00000
0.00000
0.15646