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
0.03954
0.00000
2
0.00000
-0.03954
0.00000
3
0.03205
0.05307
0.00000
4
0.03205
-0.05307
0.00000
5
-0.03205
0.05307
0.00000
6
-0.03205
-0.05307
0.00000
7
0.01349
0.05788
0.00000
8
0.01349
-0.05788
0.00000
9
-0.01349
0.05788
0.00000
10
-0.01349
-0.05788
0.00000
11
0.04829
-0.01245
0.00000
12
0.04829
0.01245
0.00000
13
-0.04829
-0.01245
0.00000
14
-0.04829
0.01245
0.00000
15
0.00000
0.00622
0.00000
16
0.00000
-0.00621
0.00000
17
0.02989
-0.04451
0.00000
18
0.02989
0.04451
0.00000
19
-0.02988
-0.04451
0.00000
20
-0.02988
0.04451
0.00000
21
-0.02062
-0.01647
0.00000
22
-0.02062
0.01647
0.00000
23
0.02062
-0.01646
0.00000
24
0.02062
0.01646
0.00000
25
-0.01373
0.06164
0.00000
26
-0.01373
-0.06164
0.00000
27
0.01373
0.06165
0.00000
28
0.01373
-0.06165
0.00000
29
0.00000
0.07683
0.00000
30
0.00000
-0.07682
0.00000
31
0.03088
-0.08331
0.00000
32
0.03088
0.08331
0.00000
33
-0.03087
-0.08331
0.00000
34
-0.03087
0.08331
0.00000
35
-0.07830
-0.04923
0.00000
36
-0.07830
0.04923
0.00000
37
0.07830
-0.04923
0.00000
38
0.07830
0.04923
0.00000
39
-0.06256
0.08812
0.00000
40
-0.06256
-0.08812
0.00000
41
0.06256
0.08812
0.00000
42
0.06256
-0.08812
0.00000