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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.05133
2
0.00000
0.00000
-0.05133
3
0.00000
0.00000
0.02002
4
0.00000
0.00000
-0.02002
5
0.00000
0.00000
0.02002
6
0.00000
0.00000
-0.02002
7
0.00000
0.00000
-0.02994
8
0.00000
0.00000
0.02994
9
0.00000
0.00000
-0.02994
10
0.00000
0.00000
0.02994
11
0.00000
0.00000
-0.02455
12
0.00000
0.00000
0.02455
13
0.00000
0.00000
-0.02455
14
0.00000
0.00000
0.02455
15
0.00000
0.00000
0.06209
16
0.00000
0.00000
-0.06209
17
0.00000
0.00000
-0.06609
18
0.00000
0.00000
0.06609
19
0.00000
0.00000
-0.06609
20
0.00000
0.00000
0.06609
21
0.00000
0.00000
0.07105
22
0.00000
0.00000
-0.07105
23
0.00000
0.00000
0.07105
24
0.00000
0.00000
-0.07105
25
0.00000
0.00000
-0.04195
26
0.00000
0.00000
0.04195
27
0.00000
0.00000
-0.04195
28
0.00000
0.00000
0.04195
29
0.00000
0.00000
0.11765
30
0.00000
0.00000
-0.11765
31
0.00000
0.00000
-0.09740
32
0.00000
0.00000
0.09740
33
0.00000
0.00000
-0.09740
34
0.00000
0.00000
0.09740
35
0.00000
0.00000
0.17443
36
0.00000
0.00000
-0.17443
37
0.00000
0.00000
0.17443
38
0.00000
0.00000
-0.17443
39
0.00000
0.00000
-0.08309
40
0.00000
0.00000
0.08309
41
0.00000
0.00000
-0.08309
42
0.00000
0.00000
0.08309