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
0.00001
0.00000
0.00000
2
-0.00001
0.00000
0.00000
3
0.00041
-0.00006
0.00000
4
-0.00041
-0.00006
0.00000
5
0.00041
0.00006
0.00000
6
-0.00041
0.00006
0.00000
7
-0.00009
-0.00001
0.00000
8
0.00009
-0.00001
0.00000
9
-0.00009
0.00001
0.00000
10
0.00009
0.00001
0.00000
11
0.00020
0.00248
0.00000
12
-0.00020
0.00248
0.00000
13
0.00020
-0.00248
0.00000
14
-0.00020
-0.00248
0.00000
15
-0.05222
0.00000
0.00000
16
0.05221
0.00000
0.00000
17
0.01602
0.00031
0.00000
18
-0.01602
0.00031
0.00000
19
0.01602
-0.00031
0.00000
20
-0.01602
-0.00031
0.00000
21
-0.00473
0.00723
0.00000
22
0.00473
0.00723
0.00000
23
-0.00473
-0.00723
0.00000
24
0.00473
-0.00723
0.00000
25
-0.00051
-0.00135
0.00000
26
0.00051
-0.00135
0.00000
27
-0.00051
0.00135
0.00000
28
0.00051
0.00135
0.00000
29
0.60228
0.00000
0.00000
30
-0.60218
0.00000
0.00000
31
-0.18619
-0.00480
0.00000
32
0.18616
-0.00479
0.00000
33
-0.18619
0.00480
0.00000
34
0.18616
0.00479
0.00000
35
0.05301
-0.09268
0.00000
36
-0.05301
-0.09266
0.00000
37
0.05301
0.09268
0.00000
38
-0.05301
0.09266
0.00000
39
0.00891
0.01668
0.00000
40
-0.00891
0.01668
0.00000
41
0.00891
-0.01668
0.00000
42
-0.00891
-0.01668
0.00000