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)
-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)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00478
0.00001
0.00000
2
0.00478
0.00001
0.00000
3
-0.01483
-0.04957
0.00000
4
0.01483
-0.04957
0.00000
5
-0.01483
0.04956
0.00000
6
0.01483
0.04956
0.00000
7
-0.04395
0.04999
0.00000
8
0.04395
0.04999
0.00000
9
-0.04394
-0.04999
0.00000
10
0.04394
-0.04999
0.00000
11
0.03786
0.05382
0.00000
12
-0.03786
0.05382
0.00000
13
0.03785
-0.05382
0.00000
14
-0.03785
-0.05382
0.00000
15
-0.03871
0.00000
0.00000
16
0.03871
0.00000
0.00000
17
0.00206
0.05243
0.00000
18
-0.00206
0.05243
0.00000
19
0.00206
-0.05243
0.00000
20
-0.00206
-0.05243
0.00000
21
0.00119
-0.04338
0.00000
22
-0.00119
-0.04338
0.00000
23
0.00119
0.04338
0.00000
24
-0.00119
0.04338
0.00000
25
0.01560
-0.01689
0.00000
26
-0.01560
-0.01689
0.00000
27
0.01560
0.01690
0.00000
28
-0.01560
0.01690
0.00000
29
-0.04652
-0.00003
0.00000
30
0.04651
-0.00003
0.00000
31
0.01009
-0.16546
0.00000
32
-0.01009
-0.16545
0.00000
33
0.01009
0.16546
0.00000
34
-0.01009
0.16546
0.00000
35
-0.04568
-0.07586
0.00000
36
0.04568
-0.07586
0.00000
37
-0.04569
0.07587
0.00000
38
0.04569
0.07587
0.00000
39
0.05628
-0.04194
0.00000
40
-0.05628
-0.04194
0.00000
41
0.05629
0.04195
0.00000
42
-0.05629
0.04195
0.00000