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
0.07180
0.00000
0.00000
2
-0.07180
0.00000
0.00000
3
0.02260
0.05463
0.00000
4
-0.02260
0.05463
0.00000
5
0.02260
-0.05463
0.00000
6
-0.02260
-0.05463
0.00000
7
-0.07718
-0.02359
0.00000
8
0.07718
-0.02359
0.00000
9
-0.07719
0.02358
0.00000
10
0.07719
0.02358
0.00000
11
-0.02285
0.03396
0.00000
12
0.02285
0.03396
0.00000
13
-0.02285
-0.03396
0.00000
14
0.02285
-0.03396
0.00000
15
-0.00464
0.00000
0.00000
16
0.00463
0.00000
0.00000
17
-0.00139
-0.02626
0.00000
18
0.00139
-0.02626
0.00000
19
-0.00139
0.02626
0.00000
20
0.00139
0.02626
0.00000
21
0.03376
-0.00178
0.00000
22
-0.03376
-0.00178
0.00000
23
0.03376
0.00178
0.00000
24
-0.03376
0.00178
0.00000
25
-0.03189
0.01359
0.00000
26
0.03189
0.01359
0.00000
27
-0.03189
-0.01359
0.00000
28
0.03189
-0.01359
0.00000
29
-0.00795
0.00001
0.00000
30
0.00795
0.00001
0.00000
31
0.00037
-0.06028
0.00000
32
-0.00037
-0.06028
0.00000
33
0.00037
0.06029
0.00000
34
-0.00037
0.06028
0.00000
35
0.02644
-0.00832
0.00000
36
-0.02644
-0.00832
0.00000
37
0.02644
0.00832
0.00000
38
-0.02644
0.00832
0.00000
39
0.16812
-0.09618
0.00000
40
-0.16812
-0.09618
0.00000
41
0.16815
0.09620
0.00000
42
-0.16815
0.09620
0.00000