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)
0.56700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.03159
0.00000
2
0.00000
0.03159
0.00000
3
0.01632
-0.03735
0.00000
4
-0.01632
-0.03735
0.00000
5
-0.01632
-0.03735
0.00000
6
0.01632
-0.03735
0.00000
7
-0.04005
0.03331
0.00000
8
0.04005
0.03331
0.00000
9
0.04005
0.03331
0.00000
10
-0.04005
0.03331
0.00000
11
-0.00235
0.06018
0.00000
12
0.00235
0.06018
0.00000
13
0.00235
0.06018
0.00000
14
-0.00235
0.06018
0.00000
15
0.00000
-0.06191
0.00000
16
0.00000
-0.06191
0.00000
17
-0.00501
-0.05697
0.00000
18
0.00501
-0.05697
0.00000
19
0.00500
-0.05696
0.00000
20
-0.00500
-0.05696
0.00000
21
0.00455
0.03530
0.00000
22
-0.00455
0.03530
0.00000
23
-0.00455
0.03530
0.00000
24
0.00455
0.03530
0.00000
25
0.04181
-0.03625
0.00000
26
-0.04181
-0.03625
0.00000
27
-0.04181
-0.03625
0.00000
28
0.04181
-0.03625
0.00000
29
0.00000
0.10391
0.00000
30
0.00000
0.10391
0.00000
31
-0.01029
0.08858
0.00000
32
0.01029
0.08858
0.00000
33
0.01029
0.08858
0.00000
34
-0.01029
0.08858
0.00000
35
-0.04832
0.01083
0.00000
36
0.04833
0.01083
0.00000
37
0.04832
0.01083
0.00000
38
-0.04832
0.01083
0.00000
39
-0.12334
0.05026
0.00000
40
0.12334
0.05026
0.00000
41
0.12334
0.05026
0.00000
42
-0.12334
0.05026
0.00000