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)
-0.40300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01502
0.00000
0.00000
2
0.01502
0.00000
0.00000
3
-0.01275
-0.02388
0.00000
4
-0.01275
0.02388
0.00000
5
-0.01275
0.02388
0.00000
6
-0.01275
-0.02388
0.00000
7
0.03076
-0.02156
0.00000
8
0.03076
0.02156
0.00000
9
0.03076
0.02156
0.00000
10
0.03076
-0.02156
0.00000
11
-0.02727
0.01053
0.00000
12
-0.02727
-0.01053
0.00000
13
-0.02727
-0.01053
0.00000
14
-0.02727
0.01053
0.00000
15
0.03464
0.00000
0.00000
16
0.03464
0.00000
0.00000
17
0.02367
0.01693
0.00000
18
0.02367
-0.01693
0.00000
19
0.02367
-0.01693
0.00000
20
0.02367
0.01693
0.00000
21
-0.02538
-0.01320
0.00000
22
-0.02538
0.01320
0.00000
23
-0.02538
0.01320
0.00000
24
-0.02538
-0.01320
0.00000
25
0.00693
0.00516
0.00000
26
0.00693
-0.00516
0.00000
27
0.00692
-0.00516
0.00000
28
0.00693
0.00516
0.00000
29
0.03649
0.00000
0.00000
30
0.03649
0.00000
0.00000
31
0.02162
0.23212
0.00000
32
0.02162
-0.23211
0.00000
33
0.02162
-0.23211
0.00000
34
0.02162
0.23211
0.00000
35
-0.31078
-0.17611
0.00000
36
-0.31078
0.17611
0.00000
37
-0.31077
0.17610
0.00000
38
-0.31077
-0.17610
0.00000
39
0.02343
-0.00137
0.00000
40
0.02343
0.00137
0.00000
41
0.02342
0.00137
0.00000
42
0.02342
-0.00137
0.00000