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)
-1074.15550
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00573 c
(cm-1)
0.00372
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.14026
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)
-0.26200
Eigenvectors
#
X
Y
Z
1
0.00000
-0.03857
-0.03787
2
0.00000
0.03857
-0.03787
3
0.00000
-0.00594
-0.04412
4
0.00000
0.01946
-0.04540
5
0.00000
-0.01946
-0.04540
6
0.00000
0.00594
-0.04412
7
0.00000
0.01947
-0.01200
8
0.00000
0.06580
-0.03073
9
0.00000
-0.06580
-0.03073
10
0.00000
-0.01947
-0.01200
11
0.00000
0.00333
0.00780
12
0.00000
0.00890
-0.01256
13
0.00000
-0.00890
-0.01256
14
0.00000
-0.00333
0.00780
15
0.00000
-0.06009
0.01262
16
0.00000
0.06009
0.01262
17
0.00000
-0.02156
0.04590
18
0.00000
0.08966
0.02287
19
0.00000
-0.08966
0.02287
20
0.00000
0.02156
0.04590
21
0.00000
0.01880
0.02555
22
0.00000
0.08981
0.00859
23
0.00000
-0.08981
0.00859
24
0.00000
-0.01880
0.02555
25
0.00000
0.00416
0.01768
26
0.00000
-0.00416
0.01768
27
0.00000
-0.00068
0.02519
28
0.00000
0.00068
0.02519
29
0.00000
-0.02273
0.08550
30
0.00000
0.09078
0.03658
31
0.00000
-0.09078
0.03658
32
0.00000
0.02273
0.08550
33
0.00000
0.04844
0.04471
34
0.00000
0.11348
0.02061
35
0.00000
-0.11348
0.02061
36
0.00000
-0.04844
0.04471
37
0.00000
-0.00562
0.02326
38
0.00000
-0.02768
-0.03568
39
0.00000
0.02768
-0.03568
40
0.00000
0.00562
0.02326
41
0.00000
0.00392
0.02122
42
0.00000
-0.00392
0.02122