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)
-1.52900
Eigenvectors
#
X
Y
Z
1
0.00000
0.05102
0.00207
2
0.00000
-0.05102
0.00207
3
0.00000
-0.05212
-0.00269
4
0.00000
0.08353
-0.00104
5
0.00000
-0.08353
-0.00104
6
0.00000
0.05212
-0.00269
7
0.00000
0.03120
0.00211
8
0.00000
-0.07183
-0.00444
9
0.00000
0.07183
-0.00444
10
0.00000
-0.03120
0.00211
11
0.00000
-0.02475
-0.00087
12
0.00000
0.12282
0.02145
13
0.00000
-0.12282
0.02145
14
0.00000
0.02475
-0.00087
15
0.00000
-0.02801
-0.01234
16
0.00000
0.02801
-0.01234
17
0.00000
0.01243
0.01724
18
0.00000
-0.00880
0.00801
19
0.00000
0.00880
0.00801
20
0.00000
-0.01243
0.01724
21
0.00000
-0.02566
-0.01708
22
0.00000
0.02729
0.00223
23
0.00000
-0.02729
0.00223
24
0.00000
0.02566
-0.01708
25
0.00000
0.01422
0.00893
26
0.00000
-0.01422
0.00893
27
0.00000
-0.03123
-0.01145
28
0.00000
0.03123
-0.01145
29
0.00000
0.01254
-0.02439
30
0.00000
-0.00763
-0.01079
31
0.00000
0.00763
-0.01079
32
0.00000
-0.01254
-0.02439
33
0.00000
0.03393
0.01965
34
0.00000
-0.02206
-0.02657
35
0.00000
0.02206
-0.02657
36
0.00000
-0.03393
0.01965
37
0.00000
0.02519
0.02237
38
0.00000
-0.09974
-0.11755
39
0.00000
0.09974
-0.11755
40
0.00000
-0.02519
0.02237
41
0.00000
0.01543
-0.00727
42
0.00000
-0.01543
-0.00727