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)
-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)
0.00100
Diff mu Y
(Debye)
-2.34500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00001
0.02084
0.00000
2
-0.00001
0.02084
0.00000
3
0.02682
-0.02357
0.00000
4
-0.02681
-0.02364
0.00000
5
-0.02682
-0.02363
0.00000
6
0.02683
-0.02357
0.00000
7
-0.04458
0.01342
0.00000
8
0.04458
0.01350
0.00000
9
0.04459
0.01350
0.00000
10
-0.04459
0.01342
0.00000
11
-0.01500
0.06544
0.00000
12
0.01500
0.06551
0.00000
13
0.01501
0.06551
0.00000
14
-0.01501
0.06544
0.00000
15
0.00000
-0.07129
0.00000
16
0.00001
-0.07129
0.00000
17
0.01248
-0.04560
0.00000
18
-0.01248
-0.04570
0.00000
19
-0.01248
-0.04569
0.00000
20
0.01249
-0.04559
0.00000
21
-0.02852
0.01555
0.00000
22
0.02849
0.01561
0.00000
23
0.02850
0.01560
0.00000
24
-0.02852
0.01554
0.00000
25
0.05210
-0.02375
0.00000
26
-0.05212
-0.02379
0.00000
27
-0.05213
-0.02379
0.00000
28
0.05211
-0.02375
0.00000
29
0.00001
0.14836
0.00000
30
0.00001
0.14836
0.00000
31
0.01215
0.09535
0.00000
32
-0.01214
0.09551
0.00000
33
-0.01214
0.09551
0.00000
34
0.01215
0.09535
0.00000
35
0.00831
0.04322
0.00000
36
-0.00823
0.04323
0.00000
37
-0.00824
0.04323
0.00000
38
0.00832
0.04323
0.00000
39
-0.12292
0.06974
0.00000
40
0.12299
0.06974
0.00000
41
0.12301
0.06975
0.00000
42
-0.12293
0.06975
0.00000