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
-0.01500
0.00000
0.00000
2
0.01499
0.00000
0.00000
3
-0.00972
0.04453
0.00000
4
0.00972
0.04453
0.00000
5
-0.00972
-0.04453
0.00000
6
0.00972
-0.04453
0.00000
7
0.01897
0.03347
0.00000
8
-0.01898
0.03347
0.00000
9
0.01897
-0.03347
0.00000
10
-0.01898
-0.03347
0.00000
11
-0.01835
0.02737
0.00000
12
0.01835
0.02737
0.00000
13
-0.01835
-0.02737
0.00000
14
0.01835
-0.02737
0.00000
15
0.05126
0.00000
0.00000
16
-0.05125
0.00000
0.00000
17
-0.06703
-0.00426
0.00000
18
0.06703
-0.00426
0.00000
19
-0.06703
0.00426
0.00000
20
0.06703
0.00426
0.00000
21
0.04380
-0.06880
0.00000
22
-0.04380
-0.06880
0.00000
23
0.04380
0.06880
0.00000
24
-0.04380
0.06880
0.00000
25
0.04172
0.01285
0.00000
26
-0.04172
0.01285
0.00000
27
0.04172
-0.01285
0.00000
28
-0.04172
-0.01285
0.00000
29
0.05209
0.00000
0.00000
30
-0.05208
0.00000
0.00000
31
-0.06868
0.05782
0.00000
32
0.06868
0.05782
0.00000
33
-0.06868
-0.05782
0.00000
34
0.06868
-0.05782
0.00000
35
0.07733
-0.05096
0.00000
36
-0.07733
-0.05096
0.00000
37
0.07733
0.05096
0.00000
38
-0.07733
0.05096
0.00000
39
-0.01764
0.04327
0.00000
40
0.01764
0.04327
0.00000
41
-0.01764
-0.04327
0.00000
42
0.01764
-0.04327
0.00000