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)
0.03500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.07081
0.00000
0.00000
2
0.07081
0.00000
0.00000
3
-0.01380
-0.01959
0.00000
4
-0.01380
0.01959
0.00000
5
-0.01380
0.01960
0.00000
6
-0.01380
-0.01960
0.00000
7
-0.07194
-0.00054
0.00000
8
-0.07194
0.00054
0.00000
9
-0.07194
0.00054
0.00000
10
-0.07194
-0.00054
0.00000
11
-0.01089
0.01128
0.00000
12
-0.01089
-0.01128
0.00000
13
-0.01089
-0.01128
0.00000
14
-0.01089
0.01128
0.00000
15
0.07397
0.00000
0.00000
16
0.07397
0.00000
0.00000
17
-0.05253
0.00253
0.00000
18
-0.05253
-0.00253
0.00000
19
-0.05253
-0.00253
0.00000
20
-0.05253
0.00253
0.00000
21
0.04178
-0.04311
0.00000
22
0.04178
0.04311
0.00000
23
0.04178
0.04311
0.00000
24
0.04178
-0.04311
0.00000
25
0.02800
0.03082
0.00000
26
0.02800
-0.03082
0.00000
27
0.02800
-0.03082
0.00000
28
0.02800
0.03082
0.00000
29
0.07737
0.00000
0.00000
30
0.07737
0.00000
0.00000
31
-0.05504
0.06958
0.00000
32
-0.05504
-0.06958
0.00000
33
-0.05504
-0.06958
0.00000
34
-0.05504
0.06958
0.00000
35
0.05807
-0.03558
0.00000
36
0.05807
0.03558
0.00000
37
0.05807
0.03558
0.00000
38
0.05807
-0.03558
0.00000
39
0.04154
0.02315
0.00000
40
0.04154
-0.02315
0.00000
41
0.04154
-0.02315
0.00000
42
0.04154
0.02315
0.00000