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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.08695
0.00000
2
0.00000
0.08695
0.00000
3
0.01389
-0.06855
0.00000
4
0.01389
0.06855
0.00000
5
-0.01389
-0.06855
0.00000
6
-0.01389
0.06855
0.00000
7
0.00480
0.01447
0.00000
8
0.00480
-0.01447
0.00000
9
-0.00480
0.01447
0.00000
10
-0.00480
-0.01447
0.00000
11
-0.00183
0.01042
0.00000
12
-0.00183
-0.01042
0.00000
13
0.00183
0.01042
0.00000
14
0.00183
-0.01042
0.00000
15
0.00000
0.03658
0.00000
16
0.00000
-0.03658
0.00000
17
-0.05032
-0.00100
0.00000
18
-0.05032
0.00100
0.00000
19
0.05032
-0.00100
0.00000
20
0.05032
0.00099
0.00000
21
0.00018
-0.03010
0.00000
22
0.00018
0.03010
0.00000
23
-0.00018
-0.03010
0.00000
24
-0.00018
0.03010
0.00000
25
0.03443
0.07100
0.00000
26
0.03443
-0.07100
0.00000
27
-0.03443
0.07100
0.00000
28
-0.03443
-0.07100
0.00000
29
0.00000
0.05094
0.00000
30
0.00000
-0.05094
0.00000
31
-0.05171
0.01188
0.00000
32
-0.05171
-0.01188
0.00000
33
0.05171
0.01188
0.00000
34
0.05171
-0.01188
0.00000
35
-0.03575
-0.04815
0.00000
36
-0.03575
0.04814
0.00000
37
0.03575
-0.04815
0.00000
38
0.03575
0.04815
0.00000
39
-0.01231
0.09887
0.00000
40
-0.01231
-0.09887
0.00000
41
0.01231
0.09887
0.00000
42
0.01231
-0.09887
0.00000