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)
0.58000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02637
0.00000
0.00000
2
0.02637
0.00000
0.00000
3
-0.02997
0.01945
0.00000
4
-0.02997
-0.01945
0.00000
5
-0.02997
-0.01945
0.00000
6
-0.02997
0.01945
0.00000
7
0.02084
0.02736
0.00000
8
0.02084
-0.02736
0.00000
9
0.02084
-0.02736
0.00000
10
0.02084
0.02735
0.00000
11
-0.02935
-0.09417
0.00000
12
-0.02935
0.09417
0.00000
13
-0.02935
0.09417
0.00000
14
-0.02935
-0.09417
0.00000
15
0.06264
0.00000
0.00000
16
0.06264
0.00000
0.00000
17
0.00095
-0.02366
0.00000
18
0.00095
0.02366
0.00000
19
0.00095
0.02366
0.00000
20
0.00095
-0.02366
0.00000
21
-0.01322
0.02924
0.00000
22
-0.01322
-0.02924
0.00000
23
-0.01322
-0.02924
0.00000
24
-0.01322
0.02924
0.00000
25
-0.00581
-0.01483
0.00000
26
-0.00581
0.01483
0.00000
27
-0.00581
0.01483
0.00000
28
-0.00581
-0.01483
0.00000
29
0.07481
0.00000
0.00000
30
0.07481
0.00000
0.00000
31
-0.00547
0.18385
0.00000
32
-0.00547
-0.18385
0.00000
33
-0.00547
-0.18385
0.00000
34
-0.00547
0.18385
0.00000
35
0.08317
0.08968
0.00000
36
0.08317
-0.08968
0.00000
37
0.08317
-0.08968
0.00000
38
0.08317
0.08968
0.00000
39
0.02847
-0.03288
0.00000
40
0.02847
0.03288
0.00000
41
0.02847
0.03288
0.00000
42
0.02847
-0.03288
0.00000