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)
-0.47000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.06778
2
0.00000
0.00000
-0.06778
3
0.00000
0.00000
0.04744
4
0.00000
0.00000
0.04744
5
0.00000
0.00000
0.04744
6
0.00000
0.00000
0.04744
7
0.00000
0.00000
-0.05786
8
0.00000
0.00000
-0.05786
9
0.00000
0.00000
-0.05786
10
0.00000
0.00000
-0.05786
11
0.00000
0.00000
0.08130
12
0.00000
0.00000
0.08130
13
0.00000
0.00000
0.08130
14
0.00000
0.00000
0.08130
15
0.00000
0.00000
-0.04695
16
0.00000
0.00000
-0.04695
17
0.00000
0.00000
-0.02126
18
0.00000
0.00000
-0.02126
19
0.00000
0.00000
-0.02126
20
0.00000
0.00000
-0.02126
21
0.00000
0.00000
0.01477
22
0.00000
0.00000
0.01477
23
0.00000
0.00000
0.01477
24
0.00000
0.00000
0.01477
25
0.00000
0.00000
0.01388
26
0.00000
0.00000
0.01388
27
0.00000
0.00000
0.01388
28
0.00000
0.00000
0.01388
29
0.00000
0.00000
-0.26323
30
0.00000
0.00000
-0.26323
31
0.00000
0.00000
-0.12842
32
0.00000
0.00000
-0.12842
33
0.00000
0.00000
-0.12842
34
0.00000
0.00000
-0.12842
35
0.00000
0.00000
-0.01393
36
0.00000
0.00000
-0.01393
37
0.00000
0.00000
-0.01393
38
0.00000
0.00000
-0.01393
39
0.00000
0.00000
0.02496
40
0.00000
0.00000
0.02496
41
0.00000
0.00000
0.02496
42
0.00000
0.00000
0.02496