Charge: 1
Inchi:1S/C28H14/c1-2-4-20-19(3-1)21-13-11-17-9-7-15-5-6-16-8-10-18-12-14-22(20)28-26(18)24(16)23(15)25(17)27(21)28/h1-14H/q+1
Electronic States
Energy
(eV)
-1074.14485
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00579 c
(cm-1)
0.00375
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03021
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.47200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00014
0.00000
2
0.00000
0.00014
0.00000
3
0.00000
0.00005
0.00000
4
0.00000
-0.00003
0.00007
5
0.00000
-0.00003
-0.00007
6
0.00000
0.00005
0.00000
7
0.00000
0.00027
0.00006
8
0.00000
-0.00006
-0.00004
9
0.00000
-0.00006
0.00004
10
0.00000
0.00027
-0.00006
11
0.00000
0.00007
-0.00002
12
0.00000
0.00021
-0.00038
13
0.00000
0.00021
0.00037
14
0.00000
0.00007
0.00002
15
0.00000
0.00004
-0.00055
16
0.00000
0.00004
0.00055
17
0.00000
-0.01462
-0.00022
18
0.00000
-0.00015
0.00010
19
0.00000
-0.00014
-0.00010
20
0.00000
-0.01462
0.00022
21
0.00000
0.00019
0.00085
22
0.00000
0.00142
-0.00261
23
0.00000
0.00142
0.00261
24
0.00000
0.00019
-0.00085
25
0.00000
0.01225
-0.00161
26
0.00000
0.01225
0.00161
27
0.00000
-0.02591
0.04729
28
0.00000
-0.02591
-0.04729
29
0.00000
0.16725
0.00074
30
0.00000
0.00267
-0.00066
31
0.00000
0.00264
0.00066
32
0.00000
0.16725
-0.00074
33
0.00000
0.00010
-0.00019
34
0.00000
-0.01656
0.02911
35
0.00000
-0.01655
-0.02910
36
0.00000
0.00010
0.00019
37
0.00000
0.31810
-0.54932
38
0.00000
-0.00245
0.00446
39
0.00000
-0.00240
-0.00438
40
0.00000
0.31810
0.54932
41
0.00000
-0.15791
0.00256
42
0.00000
-0.15791
-0.00256