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
-0.01795
0.00000
2
0.00000
0.01795
0.00000
3
-0.03030
-0.00844
0.00000
4
-0.03030
0.00844
0.00000
5
0.03030
-0.00844
0.00000
6
0.03030
0.00844
0.00000
7
0.01120
0.00040
0.00000
8
0.01120
-0.00040
0.00000
9
-0.01120
0.00040
0.00000
10
-0.01120
-0.00040
0.00000
11
-0.00693
0.03839
0.00000
12
-0.00693
-0.03839
0.00000
13
0.00694
0.03839
0.00000
14
0.00694
-0.03839
0.00000
15
0.00000
-0.00042
0.00000
16
0.00000
0.00042
0.00000
17
0.01313
-0.02050
0.00000
18
0.01313
0.02050
0.00000
19
-0.01313
-0.02050
0.00000
20
-0.01313
0.02050
0.00000
21
0.01924
0.01204
0.00000
22
0.01924
-0.01204
0.00000
23
-0.01924
0.01204
0.00000
24
-0.01924
-0.01204
0.00000
25
-0.00729
0.00201
0.00000
26
-0.00729
-0.00201
0.00000
27
0.00729
0.00201
0.00000
28
0.00729
-0.00201
0.00000
29
0.00000
-0.21497
0.00000
30
0.00000
0.21498
0.00000
31
0.01997
-0.31101
0.00000
32
0.01997
0.31102
0.00000
33
-0.01997
-0.31102
0.00000
34
-0.01997
0.31102
0.00000
35
0.18605
0.10872
0.00000
36
0.18605
-0.10872
0.00000
37
-0.18604
0.10872
0.00000
38
-0.18604
-0.10872
0.00000
39
-0.16423
0.08506
0.00000
40
-0.16423
-0.08506
0.00000
41
0.16422
0.08506
0.00000
42
0.16422
-0.08506
0.00000