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)
-0.39600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.05994
-0.03055
2
0.00000
-0.05994
0.03055
3
0.00000
0.03822
-0.02189
4
0.00000
0.02763
-0.07353
5
0.00000
0.02763
0.07353
6
0.00000
0.03822
0.02189
7
0.00000
-0.05790
0.04209
8
0.00000
-0.04417
0.05587
9
0.00000
-0.04417
-0.05587
10
0.00000
-0.05790
-0.04209
11
0.00000
0.01879
-0.03366
12
0.00000
0.01156
-0.00686
13
0.00000
0.01156
0.00686
14
0.00000
0.01879
0.03366
15
0.00000
0.06341
0.00328
16
0.00000
0.06341
-0.00328
17
0.00000
-0.01657
0.05083
18
0.00000
-0.00548
0.05410
19
0.00000
-0.00548
-0.05410
20
0.00000
-0.01657
-0.05083
21
0.00000
0.03056
-0.02460
22
0.00000
0.00706
-0.03829
23
0.00000
0.00706
0.03829
24
0.00000
0.03056
0.02460
25
0.00000
-0.01972
-0.00258
26
0.00000
-0.01972
0.00258
27
0.00000
0.01989
0.02653
28
0.00000
0.01989
-0.02653
29
0.00000
-0.01421
-0.06774
30
0.00000
-0.00176
-0.06389
31
0.00000
-0.00176
0.06389
32
0.00000
-0.01421
0.06774
33
0.00000
-0.01564
-0.05701
34
0.00000
0.05290
-0.01406
35
0.00000
0.05290
0.01406
36
0.00000
-0.01564
0.05701
37
0.00000
-0.10022
-0.04223
38
0.00000
-0.05650
-0.04310
39
0.00000
-0.05650
0.04310
40
0.00000
-0.10022
0.04223
41
0.00000
-0.02366
0.01311
42
0.00000
-0.02366
-0.01311