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)
-0.60900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00232
2
0.00000
0.00000
-0.00232
3
0.00000
0.00000
0.00615
4
0.00000
0.00000
0.00615
5
0.00000
0.00000
0.00615
6
0.00000
0.00000
0.00615
7
0.00000
0.00000
0.00814
8
0.00000
0.00000
0.00814
9
0.00000
0.00000
0.00814
10
0.00000
0.00000
0.00814
11
0.00000
0.00000
-0.03863
12
0.00000
0.00000
-0.03863
13
0.00000
0.00000
-0.03863
14
0.00000
0.00000
-0.03863
15
0.00000
0.00000
0.06253
16
0.00000
0.00000
0.06253
17
0.00000
0.00000
0.04248
18
0.00000
0.00000
0.04248
19
0.00000
0.00000
0.04248
20
0.00000
0.00000
0.04248
21
0.00000
0.00000
0.01244
22
0.00000
0.00000
0.01244
23
0.00000
0.00000
0.01244
24
0.00000
0.00000
0.01244
25
0.00000
0.00000
-0.04644
26
0.00000
0.00000
-0.04644
27
0.00000
0.00000
-0.04644
28
0.00000
0.00000
-0.04644
29
0.00000
0.00000
-0.29032
30
0.00000
0.00000
-0.29032
31
0.00000
0.00000
-0.20761
32
0.00000
0.00000
-0.20761
33
0.00000
0.00000
-0.20761
34
0.00000
0.00000
-0.20761
35
0.00000
0.00000
-0.07385
36
0.00000
0.00000
-0.07385
37
0.00000
0.00000
-0.07385
38
0.00000
0.00000
-0.07385
39
0.00000
0.00000
0.25697
40
0.00000
0.00000
0.25697
41
0.00000
0.00000
0.25697
42
0.00000
0.00000
0.25697