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)
0.00000
Diff mu Z
(Debye)
0.36700
Eigenvectors
#
X
Y
Z
1
0.00000
0.01598
0.08527
2
0.00000
-0.01598
0.08527
3
0.00000
-0.03691
-0.04442
4
0.00000
-0.02025
-0.01973
5
0.00000
0.02025
-0.01973
6
0.00000
0.03691
-0.04442
7
0.00000
-0.03130
-0.01432
8
0.00000
0.02441
-0.03555
9
0.00000
-0.02441
-0.03555
10
0.00000
0.03130
-0.01432
11
0.00000
0.09372
-0.00810
12
0.00000
0.03239
0.01306
13
0.00000
-0.03239
0.01306
14
0.00000
-0.09372
-0.00810
15
0.00000
-0.01099
-0.02498
16
0.00000
0.01099
-0.02498
17
0.00000
-0.00422
-0.04168
18
0.00000
-0.00757
-0.01754
19
0.00000
0.00757
-0.01754
20
0.00000
0.00422
-0.04168
21
0.00000
0.00766
0.02690
22
0.00000
-0.01187
0.02873
23
0.00000
0.01187
0.02873
24
0.00000
-0.00766
0.02690
25
0.00000
-0.00066
0.06026
26
0.00000
0.00066
0.06026
27
0.00000
-0.04249
-0.03723
28
0.00000
0.04249
-0.03723
29
0.00000
-0.00799
0.17319
30
0.00000
-0.01197
0.14273
31
0.00000
0.01196
0.14273
32
0.00000
0.00798
0.17319
33
0.00000
0.03434
0.04452
34
0.00000
-0.09999
-0.01750
35
0.00000
0.09999
-0.01750
36
0.00000
-0.03435
0.04453
37
0.00000
0.00375
-0.01211
38
0.00000
0.02416
0.00596
39
0.00000
-0.02416
0.00596
40
0.00000
-0.00375
-0.01211
41
0.00000
0.00054
0.01246
42
0.00000
-0.00054
0.01247