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)
1.30500
Eigenvectors
#
X
Y
Z
1
0.00000
0.04740
0.03379
2
0.00000
-0.04740
0.03379
3
0.00000
0.02503
-0.06019
4
0.00000
-0.00657
0.01036
5
0.00000
0.00657
0.01036
6
0.00000
-0.02503
-0.06019
7
0.00000
-0.01916
-0.02122
8
0.00000
0.00892
-0.00526
9
0.00000
-0.00892
-0.00526
10
0.00000
0.01916
-0.02122
11
0.00000
-0.00936
0.05007
12
0.00000
0.00498
-0.00194
13
0.00000
-0.00498
-0.00194
14
0.00000
0.00936
0.05007
15
0.00000
-0.00189
0.08649
16
0.00000
0.00189
0.08649
17
0.00000
0.03200
0.00839
18
0.00000
0.02439
-0.00381
19
0.00000
-0.02439
-0.00381
20
0.00000
-0.03200
0.00839
21
0.00000
-0.01865
-0.03302
22
0.00000
0.00629
-0.02062
23
0.00000
-0.00629
-0.02062
24
0.00000
0.01865
-0.03302
25
0.00000
0.02124
0.01943
26
0.00000
-0.02124
0.01943
27
0.00000
0.00474
-0.02736
28
0.00000
-0.00474
-0.02736
29
0.00000
0.03796
0.12139
30
0.00000
0.02857
-0.24490
31
0.00000
-0.02857
-0.24490
32
0.00000
-0.03796
0.12139
33
0.00000
-0.22140
-0.15627
34
0.00000
-0.04131
-0.04905
35
0.00000
0.04131
-0.04905
36
0.00000
0.22140
-0.15627
37
0.00000
-0.17999
-0.14041
38
0.00000
0.00524
-0.00251
39
0.00000
-0.00524
-0.00251
40
0.00000
0.17999
-0.14041
41
0.00000
0.02208
0.05379
42
0.00000
-0.02208
0.05379