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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01738
0.00000
2
0.00000
0.01739
0.00000
3
0.04286
-0.00542
0.00000
4
0.04286
0.00542
0.00000
5
-0.04286
-0.00542
0.00000
6
-0.04286
0.00542
0.00000
7
0.07508
0.00297
0.00000
8
0.07508
-0.00297
0.00000
9
-0.07508
0.00297
0.00000
10
-0.07508
-0.00297
0.00000
11
-0.00479
-0.03740
0.00000
12
-0.00480
0.03740
0.00000
13
0.00479
-0.03740
0.00000
14
0.00480
0.03740
0.00000
15
0.00000
-0.07786
0.00000
16
0.00000
0.07786
0.00000
17
-0.01094
0.01865
0.00000
18
-0.01094
-0.01865
0.00000
19
0.01094
0.01865
0.00000
20
0.01094
-0.01865
0.00000
21
-0.04209
0.06876
0.00000
22
-0.04209
-0.06875
0.00000
23
0.04209
0.06876
0.00000
24
0.04209
-0.06875
0.00000
25
-0.00920
-0.00397
0.00000
26
-0.00920
0.00397
0.00000
27
0.00920
-0.00397
0.00000
28
0.00920
0.00397
0.00000
29
0.00000
-0.15178
0.00000
30
0.00000
0.15178
0.00000
31
-0.01358
-0.00869
0.00000
32
-0.01359
0.00869
0.00000
33
0.01358
-0.00869
0.00000
34
0.01359
0.00869
0.00000
35
-0.02146
0.08588
0.00000
36
-0.02146
-0.08588
0.00000
37
0.02146
0.08589
0.00000
38
0.02145
-0.08588
0.00000
39
-0.00612
-0.00250
0.00000
40
-0.00612
0.00249
0.00000
41
0.00612
-0.00250
0.00000
42
0.00612
0.00249
0.00000