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)
-1073.55865
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)
0.00795 b
(cm-1)
0.00762 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)
-0.46900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.03037
0.00000
2
0.00000
-0.03037
0.00000
3
0.00498
-0.00250
0.00000
4
-0.00498
-0.00250
0.00000
5
-0.00498
-0.00250
0.00000
6
0.00498
-0.00250
0.00000
7
-0.00787
0.03482
0.00000
8
0.00787
0.03482
0.00000
9
0.00787
0.03482
0.00000
10
-0.00787
0.03482
0.00000
11
-0.02666
0.01020
0.00000
12
0.02666
0.01020
0.00000
13
0.02666
0.01020
0.00000
14
-0.02666
0.01020
0.00000
15
0.00000
0.00042
0.00000
16
0.00000
0.00042
0.00000
17
0.05531
0.03791
0.00000
18
-0.05531
0.03790
0.00000
19
-0.05531
0.03791
0.00000
20
0.05531
0.03791
0.00000
21
0.01653
-0.04525
0.00000
22
-0.01653
-0.04525
0.00000
23
-0.01653
-0.04525
0.00000
24
0.01653
-0.04525
0.00000
25
-0.05598
-0.03128
0.00000
26
0.05598
-0.03128
0.00000
27
0.05598
-0.03129
0.00000
28
-0.05598
-0.03128
0.00000
29
0.00000
-0.08809
0.00000
30
0.00000
-0.08809
0.00000
31
0.05805
0.23498
0.00000
32
-0.05804
0.23497
0.00000
33
-0.05805
0.23498
0.00000
34
0.05805
0.23497
0.00000
35
-0.01209
-0.06962
0.00000
36
0.01209
-0.06962
0.00000
37
0.01209
-0.06962
0.00000
38
-0.01209
-0.06962
0.00000
39
-0.14009
0.01056
0.00000
40
0.14008
0.01056
0.00000
41
0.14009
0.01056
0.00000
42
-0.14008
0.01056
0.00000