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)
-0.15000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.09449
0.00000
2
0.00000
0.09449
0.00000
3
0.03032
-0.04413
0.00000
4
-0.03032
-0.04414
0.00000
5
-0.03032
-0.04414
0.00000
6
0.03032
-0.04414
0.00000
7
-0.04682
-0.02769
0.00000
8
0.04682
-0.02769
0.00000
9
0.04683
-0.02769
0.00000
10
-0.04683
-0.02768
0.00000
11
0.04698
-0.00918
0.00000
12
-0.04698
-0.00918
0.00000
13
-0.04698
-0.00917
0.00000
14
0.04698
-0.00917
0.00000
15
0.00000
0.03270
0.00000
16
0.00000
0.03270
0.00000
17
-0.01324
0.02010
0.00000
18
0.01324
0.02010
0.00000
19
0.01324
0.02011
0.00000
20
-0.01324
0.02011
0.00000
21
-0.00271
-0.01816
0.00000
22
0.00271
-0.01816
0.00000
23
0.00271
-0.01817
0.00000
24
-0.00271
-0.01817
0.00000
25
0.00274
0.02120
0.00000
26
-0.00274
0.02120
0.00000
27
-0.00274
0.02120
0.00000
28
0.00274
0.02120
0.00000
29
0.00000
-0.35797
0.00000
30
0.00000
-0.35798
0.00000
31
-0.01211
0.04464
0.00000
32
0.01211
0.04464
0.00000
33
0.01211
0.04461
0.00000
34
-0.01211
0.04461
0.00000
35
0.04751
0.01022
0.00000
36
-0.04751
0.01022
0.00000
37
-0.04750
0.01021
0.00000
38
0.04750
0.01021
0.00000
39
-0.06175
0.05591
0.00000
40
0.06175
0.05591
0.00000
41
0.06174
0.05590
0.00000
42
-0.06174
0.05591
0.00000