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)
2.32700
Eigenvectors
#
X
Y
Z
1
0.00000
0.02442
-0.02783
2
0.00000
-0.02442
-0.02783
3
0.00000
-0.03386
-0.00450
4
0.00000
-0.02246
0.01902
5
0.00000
0.02246
0.01902
6
0.00000
0.03386
-0.00450
7
0.00000
-0.05357
0.02334
8
0.00000
0.00280
0.00601
9
0.00000
-0.00280
0.00601
10
0.00000
0.05357
0.02334
11
0.00000
0.10540
-0.05349
12
0.00000
-0.00080
-0.00373
13
0.00000
0.00080
-0.00373
14
0.00000
-0.10540
-0.05349
15
0.00000
-0.02287
0.03088
16
0.00000
0.02287
0.03088
17
0.00000
-0.00065
-0.02205
18
0.00000
-0.00356
0.01624
19
0.00000
0.00356
0.01624
20
0.00000
0.00065
-0.02205
21
0.00000
0.03585
-0.00802
22
0.00000
0.00485
-0.01865
23
0.00000
-0.00485
-0.01865
24
0.00000
-0.03585
-0.00802
25
0.00000
-0.00683
0.09095
26
0.00000
0.00683
0.09095
27
0.00000
-0.07454
-0.04548
28
0.00000
0.07454
-0.04548
29
0.00000
0.00154
-0.02244
30
0.00000
-0.00162
-0.03695
31
0.00000
0.00162
-0.03695
32
0.00000
-0.00154
-0.02244
33
0.00000
0.07024
0.01158
34
0.00000
-0.00141
-0.02335
35
0.00000
0.00141
-0.02335
36
0.00000
-0.07024
0.01158
37
0.00000
0.04569
0.02522
38
0.00000
-0.00740
-0.00808
39
0.00000
0.00740
-0.00808
40
0.00000
-0.04569
0.02522
41
0.00000
-0.00893
0.02197
42
0.00000
0.00893
0.02197