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
-0.00316
0.00000
0.00000
2
0.00316
0.00000
0.00000
3
-0.03293
0.05087
0.00000
4
0.03293
0.05087
0.00000
5
-0.03293
-0.05087
0.00000
6
0.03293
-0.05087
0.00000
7
-0.02536
-0.04283
0.00000
8
0.02536
-0.04283
0.00000
9
-0.02536
0.04283
0.00000
10
0.02536
0.04283
0.00000
11
0.08894
-0.01297
0.00000
12
-0.08894
-0.01297
0.00000
13
0.08894
0.01297
0.00000
14
-0.08894
0.01297
0.00000
15
-0.05157
0.00000
0.00000
16
0.05157
0.00000
0.00000
17
-0.01236
0.01133
0.00000
18
0.01236
0.01133
0.00000
19
-0.01236
-0.01133
0.00000
20
0.01236
-0.01133
0.00000
21
-0.03246
-0.01312
0.00000
22
0.03246
-0.01312
0.00000
23
-0.03246
0.01312
0.00000
24
0.03246
0.01312
0.00000
25
0.02443
0.01109
0.00000
26
-0.02443
0.01109
0.00000
27
0.02443
-0.01109
0.00000
28
-0.02443
-0.01109
0.00000
29
-0.05446
0.00000
0.00000
30
0.05446
0.00000
0.00000
31
-0.01488
0.13603
0.00000
32
0.01488
0.13603
0.00000
33
-0.01488
-0.13602
0.00000
34
0.01488
-0.13602
0.00000
35
0.05990
0.04308
0.00000
36
-0.05990
0.04308
0.00000
37
0.05990
-0.04307
0.00000
38
-0.05990
-0.04307
0.00000
39
-0.07761
0.06754
0.00000
40
0.07761
0.06754
0.00000
41
-0.07761
-0.06755
0.00000
42
0.07761
-0.06755
0.00000