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
0.00001
0.02569
0.00000
2
0.00001
-0.02569
0.00000
3
-0.02738
0.02924
0.00000
4
-0.02738
-0.02925
0.00000
5
0.02739
0.02925
0.00000
6
0.02739
-0.02925
0.00000
7
-0.04498
0.02546
0.00000
8
-0.04498
-0.02546
0.00000
9
0.04498
0.02546
0.00000
10
0.04498
-0.02546
0.00000
11
-0.02982
0.04516
0.00000
12
-0.02982
-0.04516
0.00000
13
0.02983
0.04517
0.00000
14
0.02983
-0.04517
0.00000
15
0.00001
0.03232
0.00000
16
0.00001
-0.03231
0.00000
17
-0.04287
0.04594
0.00000
18
-0.04287
-0.04594
0.00000
19
0.04287
0.04596
0.00000
20
0.04287
-0.04596
0.00000
21
-0.04639
0.05026
0.00000
22
-0.04639
-0.05025
0.00000
23
0.04638
0.05027
0.00000
24
0.04638
-0.05027
0.00000
25
-0.04321
0.03764
0.00000
26
-0.04321
-0.03764
0.00000
27
0.04319
0.03764
0.00000
28
0.04319
-0.03765
0.00000
29
0.00001
-0.00257
0.00000
30
0.00001
0.00257
0.00000
31
-0.04289
0.03657
0.00000
32
-0.04289
-0.03657
0.00000
33
0.04289
0.03661
0.00000
34
0.04289
-0.03661
0.00000
35
-0.04301
0.05247
0.00000
36
-0.04301
-0.05247
0.00000
37
0.04298
0.05249
0.00000
38
0.04299
-0.05249
0.00000
39
-0.03646
0.03450
0.00000
40
-0.03646
-0.03450
0.00000
41
0.03644
0.03450
0.00000
42
0.03644
-0.03451
0.00000