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)
-0.56300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.06575
0.00000
0.00000
2
-0.06575
0.00000
0.00000
3
0.01307
0.01897
0.00000
4
0.01307
-0.01897
0.00000
5
0.01307
-0.01897
0.00000
6
0.01307
0.01897
0.00000
7
0.07177
0.00381
0.00000
8
0.07177
-0.00381
0.00000
9
0.07177
-0.00381
0.00000
10
0.07177
0.00381
0.00000
11
0.01153
-0.01120
0.00000
12
0.01153
0.01120
0.00000
13
0.01153
0.01120
0.00000
14
0.01153
-0.01120
0.00000
15
-0.07384
0.00000
0.00000
16
-0.07384
0.00000
0.00000
17
0.05039
-0.00380
0.00000
18
0.05039
0.00380
0.00000
19
0.05039
0.00380
0.00000
20
0.05039
-0.00380
0.00000
21
-0.04519
0.04683
0.00000
22
-0.04519
-0.04683
0.00000
23
-0.04519
-0.04683
0.00000
24
-0.04519
0.04683
0.00000
25
-0.02446
-0.03151
0.00000
26
-0.02446
0.03151
0.00000
27
-0.02446
0.03151
0.00000
28
-0.02446
-0.03151
0.00000
29
-0.07558
0.00000
0.00000
30
-0.07558
0.00000
0.00000
31
0.05151
-0.08027
0.00000
32
0.05151
0.08027
0.00000
33
0.05151
0.08027
0.00000
34
0.05151
-0.08027
0.00000
35
-0.06125
0.03802
0.00000
36
-0.06125
-0.03802
0.00000
37
-0.06125
-0.03801
0.00000
38
-0.06125
0.03801
0.00000
39
-0.03956
-0.02136
0.00000
40
-0.03956
0.02136
0.00000
41
-0.03956
0.02136
0.00000
42
-0.03957
-0.02135
0.00000