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)
-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)
0.43500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05155
0.00000
0.00000
2
-0.05155
0.00000
0.00000
3
-0.03541
0.01254
0.00000
4
-0.03541
-0.01254
0.00000
5
-0.03540
-0.01253
0.00000
6
-0.03540
0.01253
0.00000
7
0.00336
0.00541
0.00000
8
0.00336
-0.00541
0.00000
9
0.00337
-0.00540
0.00000
10
0.00337
0.00540
0.00000
11
-0.04035
0.02246
0.00000
12
-0.04035
-0.02246
0.00000
13
-0.04034
-0.02244
0.00000
14
-0.04034
0.02244
0.00000
15
-0.04043
0.00001
0.00000
16
-0.04043
0.00000
0.00000
17
0.01123
0.06602
0.00000
18
0.01124
-0.06603
0.00000
19
0.01125
-0.06601
0.00000
20
0.01125
0.06601
0.00000
21
0.04926
0.05255
0.00000
22
0.04926
-0.05255
0.00000
23
0.04927
-0.05253
0.00000
24
0.04927
0.05254
0.00000
25
0.04669
0.02747
0.00000
26
0.04669
-0.02747
0.00000
27
0.04670
-0.02746
0.00000
28
0.04671
0.02746
0.00000
29
-0.04149
0.00000
0.00000
30
-0.04149
0.00000
0.00000
31
0.00977
0.11912
0.00000
32
0.00977
-0.11912
0.00000
33
0.00979
-0.11910
0.00000
34
0.00979
0.11911
0.00000
35
0.06803
0.06371
0.00000
36
0.06803
-0.06371
0.00000
37
0.06804
-0.06369
0.00000
38
0.06805
0.06369
0.00000
39
0.07584
0.01223
0.00000
40
0.07585
-0.01222
0.00000
41
0.07585
-0.01222
0.00000
42
0.07586
0.01221
0.00000