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
0.02032
0.00000
2
0.00000
-0.02032
0.00000
3
-0.06859
-0.02160
0.00000
4
-0.06859
0.02160
0.00000
5
0.06859
-0.02161
0.00000
6
0.06859
0.02161
0.00000
7
0.02724
0.01564
0.00000
8
0.02724
-0.01564
0.00000
9
-0.02725
0.01564
0.00000
10
-0.02725
-0.01564
0.00000
11
0.00242
-0.04887
0.00000
12
0.00242
0.04887
0.00000
13
-0.00242
-0.04887
0.00000
14
-0.00242
0.04887
0.00000
15
0.00000
0.01626
0.00000
16
0.00000
-0.01626
0.00000
17
0.00375
0.01168
0.00000
18
0.00375
-0.01168
0.00000
19
-0.00375
0.01169
0.00000
20
-0.00375
-0.01169
0.00000
21
-0.01413
0.01065
0.00000
22
-0.01413
-0.01065
0.00000
23
0.01413
0.01065
0.00000
24
0.01413
-0.01065
0.00000
25
0.01010
-0.00890
0.00000
26
0.01010
0.00890
0.00000
27
-0.01010
-0.00890
0.00000
28
-0.01010
0.00890
0.00000
29
0.00000
0.41478
0.00000
30
0.00000
-0.41478
0.00000
31
0.00226
-0.02491
0.00000
32
0.00226
0.02491
0.00000
33
-0.00225
-0.02492
0.00000
34
-0.00225
0.02492
0.00000
35
0.10700
0.08098
0.00000
36
0.10700
-0.08098
0.00000
37
-0.10701
0.08099
0.00000
38
-0.10701
-0.08099
0.00000
39
-0.15344
0.07944
0.00000
40
-0.15344
-0.07944
0.00000
41
0.15347
0.07946
0.00000
42
0.15347
-0.07946
0.00000