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)
-1073.55865
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)
0.00795 b
(cm-1)
0.00762 c
(cm-1)
0.00389
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
-0.09294
0.00000
2
0.00000
0.09294
0.00000
3
-0.04075
0.05256
0.00000
4
-0.04075
-0.05256
0.00000
5
0.04075
0.05256
0.00000
6
0.04075
-0.05256
0.00000
7
0.01765
-0.03601
0.00000
8
0.01765
0.03601
0.00000
9
-0.01765
-0.03601
0.00000
10
-0.01765
0.03601
0.00000
11
0.03868
0.04104
0.00000
12
0.03868
-0.04104
0.00000
13
-0.03868
0.04104
0.00000
14
-0.03868
-0.04104
0.00000
15
0.00000
-0.06409
0.00000
16
0.00000
0.06409
0.00000
17
-0.00886
-0.03843
0.00000
18
-0.00886
0.03843
0.00000
19
0.00886
-0.03843
0.00000
20
0.00886
0.03843
0.00000
21
0.02096
0.01395
0.00000
22
0.02096
-0.01395
0.00000
23
-0.02096
0.01395
0.00000
24
-0.02096
-0.01395
0.00000
25
-0.03258
0.01569
0.00000
26
-0.03258
-0.01569
0.00000
27
0.03258
0.01569
0.00000
28
0.03258
-0.01569
0.00000
29
0.00000
0.06134
0.00000
30
0.00000
-0.06134
0.00000
31
-0.01189
0.12336
0.00000
32
-0.01189
-0.12336
0.00000
33
0.01189
0.12336
0.00000
34
0.01189
-0.12336
0.00000
35
0.00304
0.00416
0.00000
36
0.00304
-0.00416
0.00000
37
-0.00304
0.00416
0.00000
38
-0.00304
-0.00416
0.00000
39
0.05246
-0.02889
0.00000
40
0.05246
0.02889
0.00000
41
-0.05247
-0.02889
0.00000
42
-0.05247
0.02889
0.00000