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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00027
0.00000
0.00000
2
-0.00027
0.00000
0.00000
3
0.00042
0.00025
0.00000
4
-0.00041
0.00025
0.00000
5
0.00042
-0.00025
0.00000
6
-0.00041
-0.00025
0.00000
7
-0.00009
0.00001
0.00000
8
0.00009
0.00001
0.00000
9
-0.00009
-0.00001
0.00000
10
0.00009
-0.00001
0.00000
11
0.00066
0.00228
0.00000
12
-0.00065
0.00227
0.00000
13
0.00066
-0.00228
0.00000
14
-0.00065
-0.00227
0.00000
15
-0.05907
0.00000
0.00000
16
0.05879
0.00000
0.00000
17
0.00469
0.00000
0.00000
18
-0.00467
0.00000
0.00000
19
0.00469
0.00000
0.00000
20
-0.00467
0.00000
0.00000
21
-0.00053
0.00056
0.00000
22
0.00052
0.00056
0.00000
23
-0.00053
-0.00056
0.00000
24
0.00052
-0.00056
0.00000
25
0.00002
-0.00008
0.00000
26
-0.00002
-0.00008
0.00000
27
0.00002
0.00008
0.00000
28
-0.00002
0.00008
0.00000
29
0.67121
0.00000
0.00000
30
-0.66804
0.00000
0.00000
31
-0.05226
-0.00246
0.00000
32
0.05201
-0.00244
0.00000
33
-0.05226
0.00246
0.00000
34
0.05201
0.00244
0.00000
35
0.00553
-0.00958
0.00000
36
-0.00551
-0.00953
0.00000
37
0.00553
0.00958
0.00000
38
-0.00551
0.00953
0.00000
39
0.00034
0.00053
0.00000
40
-0.00034
0.00052
0.00000
41
0.00034
-0.00053
0.00000
42
-0.00034
-0.00052
0.00000