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)
0.00000
Diff mu Z
(Debye)
0.05700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.01735
2
0.00000
0.00000
0.01735
3
0.00000
0.00000
0.01453
4
0.00000
0.00000
0.01453
5
0.00000
0.00000
0.01453
6
0.00000
0.00000
0.01453
7
0.00000
0.00000
-0.03807
8
0.00000
0.00000
-0.03807
9
0.00000
0.00000
-0.03807
10
0.00000
0.00000
-0.03807
11
0.00000
0.00000
0.05461
12
0.00000
0.00000
0.05461
13
0.00000
0.00000
0.05461
14
0.00000
0.00000
0.05461
15
0.00000
0.00000
0.09042
16
0.00000
0.00000
0.09042
17
0.00000
0.00000
0.03700
18
0.00000
0.00000
0.03700
19
0.00000
0.00000
0.03700
20
0.00000
0.00000
0.03700
21
0.00000
0.00000
-0.03949
22
0.00000
0.00000
-0.03949
23
0.00000
0.00000
-0.03949
24
0.00000
0.00000
-0.03949
25
0.00000
0.00000
-0.07734
26
0.00000
0.00000
-0.07734
27
0.00000
0.00000
-0.07734
28
0.00000
0.00000
-0.07734
29
0.00000
0.00000
0.12967
30
0.00000
0.00000
0.12967
31
0.00000
0.00000
0.07423
32
0.00000
0.00000
0.07423
33
0.00000
0.00000
0.07423
34
0.00000
0.00000
0.07423
35
0.00000
0.00000
-0.06658
36
0.00000
0.00000
-0.06658
37
0.00000
0.00000
-0.06658
38
0.00000
0.00000
-0.06658
39
0.00000
0.00000
-0.13371
40
0.00000
0.00000
-0.13371
41
0.00000
0.00000
-0.13371
42
0.00000
0.00000
-0.13371