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)
0.00000
Diff mu Y
(Debye)
-0.05600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.03652
0.00000
2
0.00000
0.03652
0.00000
3
-0.00718
0.02857
0.00000
4
0.00718
0.02857
0.00000
5
0.00718
0.02857
0.00000
6
-0.00718
0.02857
0.00000
7
-0.01237
0.04397
0.00000
8
0.01237
0.04397
0.00000
9
0.01237
0.04397
0.00000
10
-0.01237
0.04396
0.00000
11
-0.01348
-0.01892
0.00000
12
0.01348
-0.01893
0.00000
13
0.01349
-0.01892
0.00000
14
-0.01349
-0.01893
0.00000
15
0.00000
-0.02888
0.00000
16
0.00000
-0.02888
0.00000
17
-0.04761
-0.04087
0.00000
18
0.04760
-0.04087
0.00000
19
0.04761
-0.04087
0.00000
20
-0.04761
-0.04087
0.00000
21
-0.07134
-0.02789
0.00000
22
0.07134
-0.02789
0.00000
23
0.07134
-0.02789
0.00000
24
-0.07133
-0.02789
0.00000
25
-0.06110
0.01884
0.00000
26
0.06110
0.01883
0.00000
27
0.06110
0.01883
0.00000
28
-0.06110
0.01883
0.00000
29
0.00000
-0.03663
-0.00001
30
0.00000
-0.03663
-0.00001
31
-0.04726
-0.06741
0.00000
32
0.04726
-0.06741
0.00000
33
0.04726
-0.06741
0.00000
34
-0.04726
-0.06741
0.00000
35
-0.09552
-0.04138
0.00000
36
0.09552
-0.04138
0.00000
37
0.09552
-0.04138
0.00000
38
-0.09551
-0.04138
0.00000
39
-0.09191
0.03768
0.00000
40
0.09191
0.03767
0.00000
41
0.09191
0.03767
0.00000
42
-0.09191
0.03767
0.00000