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)
0.53100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01018
0.00000
0.00000
2
0.01018
0.00000
0.00000
3
-0.01751
-0.03918
0.00000
4
-0.01751
0.03918
0.00000
5
-0.01751
0.03918
0.00000
6
-0.01751
-0.03918
0.00000
7
0.03914
-0.03649
0.00000
8
0.03914
0.03649
0.00000
9
0.03914
0.03649
0.00000
10
0.03914
-0.03649
0.00000
11
-0.02855
0.00685
0.00000
12
-0.02855
-0.00685
0.00000
13
-0.02855
-0.00685
0.00000
14
-0.02855
0.00685
0.00000
15
0.03906
0.00000
0.00000
16
0.03906
0.00000
0.00000
17
0.01912
0.01862
0.00000
18
0.01912
-0.01862
0.00000
19
0.01912
-0.01862
0.00000
20
0.01912
0.01862
0.00000
21
-0.02979
-0.01284
0.00000
22
-0.02979
0.01284
0.00000
23
-0.02979
0.01284
0.00000
24
-0.02979
-0.01284
0.00000
25
0.01264
0.01965
0.00000
26
0.01264
-0.01965
0.00000
27
0.01264
-0.01965
0.00000
28
0.01264
0.01966
0.00000
29
0.04251
0.00000
0.00000
30
0.04251
0.00000
0.00000
31
0.01840
0.18034
0.00000
32
0.01840
-0.18034
0.00000
33
0.01840
-0.18034
0.00000
34
0.01840
0.18034
0.00000
35
-0.28892
-0.16299
0.00000
36
-0.28892
0.16299
0.00000
37
-0.28892
0.16300
0.00000
38
-0.28892
-0.16300
0.00000
39
0.01526
0.02253
0.00000
40
0.01525
-0.02253
0.00000
41
0.01526
-0.02253
0.00000
42
0.01526
0.02253
0.00000