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)
-1073.90161
Description
D0
Multiplicity
2
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)
0.00793 b
(cm-1)
0.00763 c
(cm-1)
0.00389
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
0.06688
0.00000
2
0.00000
-0.06688
0.00000
3
0.00743
-0.06025
0.00000
4
0.00743
0.06025
0.00000
5
-0.00743
-0.06025
0.00000
6
-0.00743
0.06025
0.00000
7
-0.00740
0.04490
0.00000
8
-0.00740
-0.04490
0.00000
9
0.00740
0.04490
0.00000
10
0.00740
-0.04490
0.00000
11
0.00053
0.06484
0.00000
12
0.00053
-0.06484
0.00000
13
-0.00053
0.06484
0.00000
14
-0.00053
-0.06484
0.00000
15
0.00000
-0.06438
0.00000
16
0.00000
0.06438
0.00000
17
-0.00469
-0.05365
0.00000
18
-0.00469
0.05365
0.00000
19
0.00469
-0.05365
0.00000
20
0.00469
0.05365
0.00000
21
0.00794
0.03047
0.00000
22
0.00794
-0.03047
0.00000
23
-0.00794
0.03047
0.00000
24
-0.00794
-0.03047
0.00000
25
0.01771
-0.02522
0.00000
26
0.01771
0.02522
0.00000
27
-0.01771
-0.02522
0.00000
28
-0.01771
0.02522
0.00000
29
0.00000
0.12109
0.00000
30
0.00000
-0.12109
0.00000
31
-0.00725
0.09305
0.00000
32
-0.00725
-0.09305
0.00000
33
0.00725
0.09305
0.00000
34
0.00725
-0.09305
0.00000
35
-0.04274
0.00604
0.00000
36
-0.04274
-0.00604
0.00000
37
0.04274
0.00604
0.00000
38
0.04274
-0.00604
0.00000
39
-0.05041
0.00828
0.00000
40
-0.05041
-0.00828
0.00000
41
0.05041
0.00828
0.00000
42
0.05041
-0.00828
0.00000