Charge: 0
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
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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01808
0.00000
2
0.00000
-0.01808
0.00000
3
-0.04319
0.00479
0.00000
4
-0.04319
-0.00479
0.00000
5
0.04319
0.00479
0.00000
6
0.04319
-0.00479
0.00000
7
-0.03572
0.01916
0.00000
8
-0.03572
-0.01916
0.00000
9
0.03572
0.01916
0.00000
10
0.03572
-0.01916
0.00000
11
-0.04845
-0.04540
0.00000
12
-0.04845
0.04540
0.00000
13
0.04845
-0.04540
0.00000
14
0.04845
0.04540
0.00000
15
0.00000
-0.09116
0.00000
16
0.00000
0.09116
0.00000
17
0.02216
0.00049
0.00000
18
0.02216
-0.00049
0.00000
19
-0.02216
0.00049
0.00000
20
-0.02216
-0.00049
0.00000
21
0.04096
0.01121
0.00000
22
0.04095
-0.01121
0.00000
23
-0.04096
0.01121
0.00000
24
-0.04096
-0.01121
0.00000
25
0.03251
0.05690
0.00000
26
0.03251
-0.05690
0.00000
27
-0.03251
0.05690
0.00000
28
-0.03251
-0.05690
0.00000
29
0.00000
-0.16673
0.00000
30
0.00000
0.16673
0.00000
31
0.02065
0.06691
0.00000
32
0.02065
-0.06691
0.00000
33
-0.02065
0.06691
0.00000
34
-0.02065
-0.06691
0.00000
35
0.01011
-0.00631
0.00000
36
0.01011
0.00631
0.00000
37
-0.01011
-0.00631
0.00000
38
-0.01011
0.00631
0.00000
39
0.04740
0.04959
0.00000
40
0.04740
-0.04959
0.00000
41
-0.04740
0.04959
0.00000
42
-0.04740
-0.04959
0.00000