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
0.00002
0.00000
0.00000
2
-0.00002
0.00000
0.00000
3
0.00001
0.00047
0.00000
4
-0.00001
0.00047
0.00000
5
0.00001
-0.00047
0.00000
6
-0.00001
-0.00047
0.00000
7
-0.00097
0.00058
0.00000
8
0.00097
0.00058
0.00000
9
-0.00097
-0.00058
0.00000
10
0.00097
-0.00058
0.00000
11
-0.00004
0.00025
0.00000
12
0.00004
0.00025
0.00000
13
-0.00004
-0.00025
0.00000
14
0.00004
-0.00025
0.00000
15
0.00077
0.00000
0.00000
16
-0.00077
0.00000
0.00000
17
0.00474
0.00090
0.00000
18
-0.00474
0.00090
0.00000
19
0.00474
-0.00090
0.00000
20
-0.00474
-0.00090
0.00000
21
0.00703
-0.01112
0.00000
22
-0.00703
-0.01112
0.00000
23
0.00703
0.01111
0.00000
24
-0.00703
0.01111
0.00000
25
-0.01807
-0.03452
0.00000
26
0.01807
-0.03452
0.00000
27
-0.01806
0.03450
0.00000
28
0.01806
0.03450
0.00000
29
-0.00899
0.00000
0.00000
30
0.00899
0.00000
0.00000
31
-0.04859
-0.00178
0.00000
32
0.04859
-0.00178
0.00000
33
-0.04856
0.00178
0.00000
34
0.04856
0.00178
0.00000
35
-0.07011
0.12087
0.00000
36
0.07011
0.12087
0.00000
37
-0.07007
-0.12080
0.00000
38
0.07007
-0.12080
0.00000
39
0.21455
0.39975
0.00000
40
-0.21455
0.39976
0.00000
41
0.21443
-0.39952
0.00000
42
-0.21443
-0.39952
0.00000