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)
0.33100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00001
-0.00925
0.00000
2
0.00001
-0.00925
0.00000
3
-0.02438
-0.00171
0.00000
4
0.02438
-0.00171
0.00000
5
0.02439
-0.00170
0.00000
6
-0.02439
-0.00170
0.00000
7
0.04049
-0.00310
0.00000
8
-0.04049
-0.00309
0.00000
9
-0.04049
-0.00310
0.00000
10
0.04049
-0.00310
0.00000
11
0.00706
0.01099
0.00000
12
-0.00706
0.01099
0.00000
13
-0.00707
0.01099
0.00000
14
0.00707
0.01099
0.00000
15
0.00000
0.03489
0.00000
16
0.00000
0.03489
0.00000
17
0.01444
-0.06388
0.00000
18
-0.01444
-0.06388
0.00000
19
-0.01444
-0.06388
0.00000
20
0.01444
-0.06387
0.00000
21
-0.04893
0.00248
0.00000
22
0.04893
0.00248
0.00000
23
0.04893
0.00248
0.00000
24
-0.04893
0.00248
0.00000
25
0.00482
0.01769
0.00000
26
-0.00482
0.01768
0.00000
27
-0.00483
0.01768
0.00000
28
0.00483
0.01768
0.00000
29
0.00000
-0.13017
0.00000
30
0.00000
-0.13016
0.00000
31
0.01108
0.24916
0.00000
32
-0.01108
0.24914
0.00000
33
-0.01108
0.24916
0.00000
34
0.01108
0.24914
0.00000
35
0.17475
0.13368
0.00000
36
-0.17474
0.13367
0.00000
37
-0.17475
0.13368
0.00000
38
0.17474
0.13367
0.00000
39
0.09087
-0.02343
0.00000
40
-0.09087
-0.02343
0.00000
41
-0.09085
-0.02342
0.00000
42
0.09085
-0.02342
0.00000