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)
-1073.55865
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
0.00278
0.00000
0.00000
2
-0.00278
0.00000
0.00000
3
0.00872
-0.00256
0.00000
4
-0.00872
-0.00255
0.00000
5
0.00872
0.00256
0.00000
6
-0.00872
0.00256
0.00000
7
0.00337
-0.03897
0.00000
8
-0.00337
-0.03897
0.00000
9
0.00337
0.03897
0.00000
10
-0.00337
0.03897
0.00000
11
0.02196
0.04691
0.00000
12
-0.02196
0.04691
0.00000
13
0.02196
-0.04691
0.00000
14
-0.02196
-0.04691
0.00000
15
0.10161
0.00000
0.00000
16
-0.10161
0.00000
0.00000
17
-0.04144
0.04377
0.00000
18
0.04144
0.04377
0.00000
19
-0.04144
-0.04377
0.00000
20
0.04144
-0.04377
0.00000
21
-0.02296
0.03419
0.00000
22
0.02296
0.03419
0.00000
23
-0.02296
-0.03419
0.00000
24
0.02296
-0.03419
0.00000
25
-0.01498
-0.06315
0.00000
26
0.01498
-0.06315
0.00000
27
-0.01498
0.06315
0.00000
28
0.01498
0.06315
0.00000
29
0.10277
0.00000
0.00000
30
-0.10277
0.00000
0.00000
31
-0.04187
0.01356
0.00000
32
0.04187
0.01356
0.00000
33
-0.04187
-0.01356
0.00000
34
0.04187
-0.01356
0.00000
35
0.04458
0.07427
0.00000
36
-0.04458
0.07427
0.00000
37
0.04458
-0.07427
0.00000
38
-0.04458
-0.07427
0.00000
39
0.01953
-0.08178
0.00000
40
-0.01953
-0.08178
0.00000
41
0.01953
0.08178
0.00000
42
-0.01953
0.08178
0.00000