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)
-1073.90161
Description
D0
Multiplicity
2
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)
0.00793 b
(cm-1)
0.00763 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
0.00000
0.00832
2
0.00000
0.00000
-0.00832
3
0.00000
0.00000
-0.01385
4
0.00000
0.00000
0.01385
5
0.00000
0.00000
-0.01385
6
0.00000
0.00000
0.01385
7
0.00000
0.00000
0.03849
8
0.00000
0.00000
-0.03849
9
0.00000
0.00000
0.03849
10
0.00000
0.00000
-0.03849
11
0.00000
0.00000
0.03387
12
0.00000
0.00000
-0.03387
13
0.00000
0.00000
0.03387
14
0.00000
0.00000
-0.03387
15
0.00000
0.00000
-0.07641
16
0.00000
0.00000
0.07641
17
0.00000
0.00000
0.01467
18
0.00000
0.00000
-0.01467
19
0.00000
0.00000
0.01467
20
0.00000
0.00000
-0.01467
21
0.00000
0.00000
-0.00609
22
0.00000
0.00000
0.00609
23
0.00000
0.00000
-0.00609
24
0.00000
0.00000
0.00609
25
0.00000
0.00000
-0.04791
26
0.00000
0.00000
0.04791
27
0.00000
0.00000
-0.04791
28
0.00000
0.00000
0.04791
29
0.00000
0.00000
0.38274
30
0.00000
0.00000
-0.38274
31
0.00000
0.00000
-0.14954
32
0.00000
0.00000
0.14954
33
0.00000
0.00000
-0.14954
34
0.00000
0.00000
0.14954
35
0.00000
0.00000
0.10567
36
0.00000
0.00000
-0.10567
37
0.00000
0.00000
0.10567
38
0.00000
0.00000
-0.10567
39
0.00000
0.00000
0.20541
40
0.00000
0.00000
-0.20541
41
0.00000
0.00000
0.20541
42
0.00000
0.00000
-0.20541