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
-0.04990
0.00000
0.00000
2
0.04990
0.00000
0.00000
3
-0.02899
0.06506
0.00000
4
0.02899
0.06506
0.00000
5
-0.02899
-0.06506
0.00000
6
0.02899
-0.06506
0.00000
7
0.02148
0.01715
0.00000
8
-0.02148
0.01715
0.00000
9
0.02148
-0.01715
0.00000
10
-0.02148
-0.01715
0.00000
11
0.00303
0.00490
0.00000
12
-0.00303
0.00490
0.00000
13
0.00303
-0.00490
0.00000
14
-0.00303
-0.00490
0.00000
15
-0.02116
0.00000
0.00000
16
0.02116
0.00000
0.00000
17
0.00634
-0.03363
0.00000
18
-0.00634
-0.03363
0.00000
19
0.00634
0.03363
0.00000
20
-0.00634
0.03363
0.00000
21
-0.01070
0.03381
0.00000
22
0.01070
0.03381
0.00000
23
-0.01070
-0.03381
0.00000
24
0.01070
-0.03381
0.00000
25
0.02619
-0.02902
0.00000
26
-0.02619
-0.02902
0.00000
27
0.02619
0.02902
0.00000
28
-0.02619
0.02902
0.00000
29
-0.02139
0.00000
0.00000
30
0.02139
0.00000
0.00000
31
0.00998
-0.29130
0.00000
32
-0.00998
-0.29130
0.00000
33
0.00998
0.29130
0.00000
34
-0.00998
0.29130
0.00000
35
0.08459
0.09215
0.00000
36
-0.08459
0.09215
0.00000
37
0.08459
-0.09215
0.00000
38
-0.08459
-0.09215
0.00000
39
0.09332
-0.06417
0.00000
40
-0.09332
-0.06417
0.00000
41
0.09332
0.06417
0.00000
42
-0.09332
0.06417
0.00000