Charge: 0
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
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
-0.02871
0.00000
0.00000
2
0.02871
0.00000
0.00000
3
0.00342
-0.00288
0.00000
4
-0.00342
-0.00288
0.00000
5
0.00342
0.00288
0.00000
6
-0.00342
0.00288
0.00000
7
0.05488
-0.04536
0.00000
8
-0.05488
-0.04536
0.00000
9
0.05488
0.04535
0.00000
10
-0.05488
0.04535
0.00000
11
-0.00026
0.07223
0.00000
12
0.00026
0.07223
0.00000
13
-0.00026
-0.07223
0.00000
14
0.00026
-0.07223
0.00000
15
-0.03241
0.00000
0.00000
16
0.03241
0.00000
0.00000
17
0.01740
0.01206
0.00000
18
-0.01740
0.01206
0.00000
19
0.01740
-0.01206
0.00000
20
-0.01740
-0.01206
0.00000
21
0.00307
-0.01021
0.00000
22
-0.00307
-0.01021
0.00000
23
0.00307
0.01021
0.00000
24
-0.00307
0.01021
0.00000
25
-0.00309
0.01704
0.00000
26
0.00309
0.01704
0.00000
27
-0.00309
-0.01704
0.00000
28
0.00309
-0.01704
0.00000
29
-0.04011
0.00000
0.00000
30
0.04012
0.00000
0.00000
31
0.02409
-0.19403
0.00000
32
-0.02409
-0.19403
0.00000
33
0.02409
0.19404
0.00000
34
-0.02409
0.19403
0.00000
35
-0.03042
-0.03139
0.00000
36
0.03042
-0.03139
0.00000
37
-0.03042
0.03139
0.00000
38
0.03042
0.03139
0.00000
39
-0.21359
0.13174
0.00000
40
0.21359
0.13174
0.00000
41
-0.21359
-0.13173
0.00000
42
0.21359
-0.13173
0.00000