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)
-1074.10796
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)
0.00789 b
(cm-1)
0.00764 c
(cm-1)
0.00388
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)
0.12700
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00998
0.00000
0.00000
2
-0.00998
0.00000
0.00000
3
-0.01177
-0.02724
0.00000
4
-0.01177
0.02724
0.00000
5
-0.01177
0.02724
0.00000
6
-0.01177
-0.02724
0.00000
7
0.01075
-0.02288
0.00000
8
0.01075
0.02288
0.00000
9
0.01075
0.02289
0.00000
10
0.01075
-0.02288
0.00000
11
0.00621
-0.01809
0.00000
12
0.00621
0.01809
0.00000
13
0.00621
0.01809
0.00000
14
0.00621
-0.01809
0.00000
15
0.00624
0.00000
0.00000
16
0.00624
0.00000
0.00000
17
-0.04095
-0.02816
0.00000
18
-0.04095
0.02816
0.00000
19
-0.04095
0.02816
0.00000
20
-0.04095
-0.02816
0.00000
21
-0.03919
0.03282
0.00000
22
-0.03919
-0.03282
0.00000
23
-0.03919
-0.03282
0.00000
24
-0.03919
0.03282
0.00000
25
0.06841
0.02930
0.00000
26
0.06841
-0.02930
0.00000
27
0.06842
-0.02930
0.00000
28
0.06841
0.02930
0.00000
29
0.00709
0.00000
0.00000
30
0.00709
0.00000
0.00000
31
-0.04258
-0.18400
0.00000
32
-0.04258
0.18400
0.00000
33
-0.04258
0.18400
0.00000
34
-0.04258
-0.18400
0.00000
35
-0.08908
0.01112
0.00000
36
-0.08908
-0.01112
0.00000
37
-0.08908
-0.01112
0.00000
38
-0.08908
0.01112
0.00000
39
0.22814
-0.05015
0.00000
40
0.22814
0.05015
0.00000
41
0.22814
0.05015
0.00000
42
0.22814
-0.05015
0.00000