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
0.00001
-0.04985
0.00000
2
0.00001
0.04985
0.00000
3
0.00738
-0.05523
0.00000
4
0.00738
0.05523
0.00000
5
-0.00738
-0.05522
0.00000
6
-0.00738
0.05522
0.00000
7
-0.06031
-0.02118
0.00000
8
-0.06031
0.02118
0.00000
9
0.06029
-0.02117
0.00000
10
0.06029
0.02117
0.00000
11
0.04261
-0.01610
0.00000
12
0.04261
0.01610
0.00000
13
-0.04261
-0.01609
0.00000
14
-0.04261
0.01609
0.00000
15
-0.00001
0.01144
0.00000
16
-0.00001
-0.01144
0.00000
17
0.07192
0.00330
0.00000
18
0.07192
-0.00330
0.00000
19
-0.07191
0.00330
0.00000
20
-0.07191
-0.00330
0.00000
21
-0.01527
0.05267
0.00000
22
-0.01527
-0.05267
0.00000
23
0.01527
0.05267
0.00000
24
0.01527
-0.05267
0.00000
25
-0.02528
0.01572
0.00000
26
-0.02528
-0.01572
0.00000
27
0.02528
0.01571
0.00000
28
0.02528
-0.01571
0.00000
29
-0.00001
0.05737
0.00000
30
-0.00001
-0.05737
0.00000
31
0.07326
-0.04081
0.00000
32
0.07326
0.04081
0.00000
33
-0.07324
-0.04081
0.00000
34
-0.07324
0.04081
0.00000
35
-0.05454
0.02993
0.00000
36
-0.05454
-0.02993
0.00000
37
0.05453
0.02993
0.00000
38
0.05453
-0.02993
0.00000
39
0.03613
-0.01647
0.00000
40
0.03613
0.01647
0.00000
41
-0.03612
-0.01647
0.00000
42
-0.03612
0.01647
0.00000