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
-0.01754
0.00000
0.00000
2
0.01754
0.00000
0.00000
3
-0.02973
0.02087
0.00000
4
0.02973
0.02087
0.00000
5
-0.02973
-0.02087
0.00000
6
0.02973
-0.02087
0.00000
7
-0.01313
0.03663
0.00000
8
0.01313
0.03663
0.00000
9
-0.01313
-0.03663
0.00000
10
0.01313
-0.03663
0.00000
11
-0.05150
0.02728
0.00000
12
0.05150
0.02728
0.00000
13
-0.05150
-0.02728
0.00000
14
0.05150
-0.02728
0.00000
15
-0.04856
0.00000
0.00000
16
0.04856
0.00000
0.00000
17
-0.03364
0.06211
0.00000
18
0.03364
0.06211
0.00000
19
-0.03364
-0.06210
0.00000
20
0.03364
-0.06210
0.00000
21
-0.01908
0.06272
0.00000
22
0.01908
0.06272
0.00000
23
-0.01908
-0.06272
0.00000
24
0.01907
-0.06272
0.00000
25
-0.01336
0.04873
0.00000
26
0.01336
0.04873
0.00000
27
-0.01336
-0.04873
0.00000
28
0.01336
-0.04873
0.00000
29
-0.05028
0.00000
0.00000
30
0.05028
0.00000
0.00000
31
-0.03512
0.08719
0.00000
32
0.03512
0.08719
0.00000
33
-0.03512
-0.08719
0.00000
34
0.03512
-0.08719
0.00000
35
-0.01082
0.06836
0.00000
36
0.01082
0.06836
0.00000
37
-0.01082
-0.06836
0.00000
38
0.01082
-0.06836
0.00000
39
-0.00594
0.04593
0.00000
40
0.00594
0.04593
0.00000
41
-0.00594
-0.04594
0.00000
42
0.00594
-0.04594
0.00000