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
0.06728
2
0.00000
0.00000
-0.06728
3
0.00000
0.00000
0.08584
4
0.00000
0.00000
-0.08584
5
0.00000
0.00000
0.08584
6
0.00000
0.00000
-0.08584
7
0.00000
0.00000
0.02789
8
0.00000
0.00000
-0.02789
9
0.00000
0.00000
0.02789
10
0.00000
0.00000
-0.02789
11
0.00000
0.00000
0.00599
12
0.00000
0.00000
-0.00599
13
0.00000
0.00000
0.00599
14
0.00000
0.00000
-0.00599
15
0.00000
0.00000
-0.11063
16
0.00000
0.00000
0.11063
17
0.00000
0.00000
0.01221
18
0.00000
0.00000
-0.01221
19
0.00000
0.00000
0.01221
20
0.00000
0.00000
-0.01221
21
0.00000
0.00000
0.01757
22
0.00000
0.00000
-0.01757
23
0.00000
0.00000
0.01757
24
0.00000
0.00000
-0.01757
25
0.00000
0.00000
-0.01913
26
0.00000
0.00000
0.01913
27
0.00000
0.00000
-0.01913
28
0.00000
0.00000
0.01913
29
0.00000
0.00000
-0.24610
30
0.00000
0.00000
0.24610
31
0.00000
0.00000
-0.00482
32
0.00000
0.00000
0.00482
33
0.00000
0.00000
-0.00482
34
0.00000
0.00000
0.00482
35
0.00000
0.00000
0.01277
36
0.00000
0.00000
-0.01277
37
0.00000
0.00000
0.01277
38
0.00000
0.00000
-0.01277
39
0.00000
0.00000
-0.10271
40
0.00000
0.00000
0.10271
41
0.00000
0.00000
-0.10271
42
0.00000
0.00000
0.10271