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)
1.20900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.04040
0.00000
0.00000
2
-0.04040
0.00000
0.00000
3
0.05167
-0.04354
0.00000
4
0.05167
0.04354
0.00000
5
0.05167
0.04354
0.00000
6
0.05167
-0.04354
0.00000
7
-0.00191
0.05687
0.00000
8
-0.00191
-0.05687
0.00000
9
-0.00191
-0.05687
0.00000
10
-0.00191
0.05687
0.00000
11
-0.05640
-0.03171
0.00000
12
-0.05640
0.03171
0.00000
13
-0.05640
0.03171
0.00000
14
-0.05640
-0.03171
0.00000
15
0.03770
0.00000
0.00000
16
0.03770
0.00000
0.00000
17
-0.00338
0.03552
0.00000
18
-0.00338
-0.03552
0.00000
19
-0.00338
-0.03552
0.00000
20
-0.00338
0.03552
0.00000
21
0.03679
0.00273
0.00000
22
0.03679
-0.00273
0.00000
23
0.03679
-0.00273
0.00000
24
0.03679
0.00273
0.00000
25
-0.02205
-0.01531
0.00000
26
-0.02205
0.01531
0.00000
27
-0.02205
0.01531
0.00000
28
-0.02205
-0.01531
0.00000
29
0.04162
0.00000
0.00000
30
0.04162
0.00000
0.00000
31
-0.00217
-0.17320
0.00000
32
-0.00217
0.17321
0.00000
33
-0.00217
0.17320
0.00000
34
-0.00217
-0.17320
0.00000
35
-0.08770
-0.07424
0.00000
36
-0.08770
0.07424
0.00000
37
-0.08770
0.07424
0.00000
38
-0.08770
-0.07424
0.00000
39
0.02882
-0.04765
0.00000
40
0.02882
0.04765
0.00000
41
0.02882
0.04765
0.00000
42
0.02882
-0.04765
0.00000