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
0.00000
0.00000
2
0.00000
0.00000
0.00000
3
0.00000
0.00000
0.00295
4
0.00000
0.00000
-0.00295
5
0.00000
0.00000
-0.00295
6
0.00000
0.00000
0.00295
7
0.00000
0.00000
0.08389
8
0.00000
0.00000
-0.08389
9
0.00000
0.00000
-0.08389
10
0.00000
0.00000
0.08389
11
0.00000
0.00000
-0.08910
12
0.00000
0.00000
0.08910
13
0.00000
0.00000
0.08910
14
0.00000
0.00000
-0.08910
15
0.00000
0.00000
0.00000
16
0.00000
0.00000
0.00000
17
0.00000
0.00000
0.03833
18
0.00000
0.00000
-0.03833
19
0.00000
0.00000
-0.03833
20
0.00000
0.00000
0.03833
21
0.00000
0.00000
-0.03464
22
0.00000
0.00000
0.03464
23
0.00000
0.00000
0.03464
24
0.00000
0.00000
-0.03464
25
0.00000
0.00000
0.01740
26
0.00000
0.00000
-0.01740
27
0.00000
0.00000
-0.01740
28
0.00000
0.00000
0.01740
29
0.00000
0.00000
0.00000
30
0.00000
0.00000
0.00000
31
0.00000
0.00000
0.16672
32
0.00000
0.00000
-0.16672
33
0.00000
0.00000
-0.16672
34
0.00000
0.00000
0.16672
35
0.00000
0.00000
-0.04839
36
0.00000
0.00000
0.04839
37
0.00000
0.00000
0.04839
38
0.00000
0.00000
-0.04839
39
0.00000
0.00000
-0.06409
40
0.00000
0.00000
0.06409
41
0.00000
0.00000
0.06409
42
0.00000
0.00000
-0.06409