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)
1.64500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.08778
0.00339
2
0.00000
0.08778
-0.00339
3
0.00000
-0.02326
-0.08990
4
0.00000
-0.02376
-0.07482
5
0.00000
-0.02376
0.07482
6
0.00000
-0.02326
0.08990
7
0.00000
0.00433
0.05913
8
0.00000
-0.00238
0.02871
9
0.00000
-0.00238
-0.02871
10
0.00000
0.00433
-0.05913
11
0.00000
-0.02098
-0.02338
12
0.00000
0.00724
0.01588
13
0.00000
0.00724
-0.01588
14
0.00000
-0.02098
0.02338
15
0.00000
-0.04219
-0.00307
16
0.00000
-0.04219
0.00307
17
0.00000
-0.02126
-0.01929
18
0.00000
-0.02157
-0.04170
19
0.00000
-0.02157
0.04170
20
0.00000
-0.02126
0.01929
21
0.00000
0.03986
0.01959
22
0.00000
0.03394
0.03295
23
0.00000
0.03394
-0.03295
24
0.00000
0.03986
-0.01959
25
0.00000
0.00840
-0.00445
26
0.00000
0.00840
0.00445
27
0.00000
-0.00471
0.00304
28
0.00000
-0.00471
-0.00304
29
0.00000
-0.02163
-0.13230
30
0.00000
-0.02327
0.00967
31
0.00000
-0.02327
-0.00967
32
0.00000
-0.02163
0.13230
33
0.00000
-0.06125
-0.03831
34
0.00000
-0.07360
-0.02697
35
0.00000
-0.07360
0.02697
36
0.00000
-0.06125
0.03831
37
0.00000
0.03785
0.02828
38
0.00000
-0.12144
-0.06292
39
0.00000
-0.12144
0.06292
40
0.00000
0.03785
-0.02828
41
0.00000
0.00827
-0.03380
42
0.00000
0.00827
0.03380