Charge: 2
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+2
Electronic States
Energy
(eV)
-1073.52965
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01071 b
(cm-1)
0.00574 c
(cm-1)
0.00373
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.04297
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)
-1.07000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00844
0.06855
2
0.00000
0.00844
0.06855
3
0.00000
0.00576
0.07177
4
0.00000
0.00493
0.05847
5
0.00000
-0.00493
0.05847
6
0.00000
-0.00576
0.07177
7
0.00000
0.02198
0.02333
8
0.00000
-0.00047
-0.00490
9
0.00000
0.00047
-0.00490
10
0.00000
-0.02198
0.02333
11
0.00000
0.02058
-0.01669
12
0.00000
0.00905
-0.09094
13
0.00000
-0.00905
-0.09095
14
0.00000
-0.02058
-0.01669
15
0.00000
-0.01381
-0.01079
16
0.00000
0.01381
-0.01079
17
0.00000
0.01438
-0.03677
18
0.00000
0.05168
0.01101
19
0.00000
-0.05167
0.01101
20
0.00000
-0.01439
-0.03677
21
0.00000
0.04456
-0.05859
22
0.00000
0.02367
0.02208
23
0.00000
-0.02367
0.02208
24
0.00000
-0.04456
-0.05859
25
0.00000
0.06315
-0.02517
26
0.00000
-0.06315
-0.02517
27
0.00000
0.00547
0.00268
28
0.00000
-0.00548
0.00268
29
0.00000
0.01563
0.00759
30
0.00000
0.05318
0.03037
31
-0.00001
-0.05318
0.03037
32
0.00000
-0.01564
0.00759
33
0.00000
0.02549
-0.07195
34
0.00000
0.02692
0.02301
35
0.00000
-0.02692
0.02301
36
0.00000
-0.02549
-0.07195
37
-0.00001
-0.03883
-0.02467
38
0.00001
0.04854
-0.07211
39
0.00001
-0.04854
-0.07212
40
-0.00001
0.03883
-0.02468
41
-0.00001
0.06339
-0.05933
42
-0.00001
-0.06339
-0.05933