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)
-0.00600
Eigenvectors
#
X
Y
Z
1
0.00000
0.10744
0.00937
2
0.00000
-0.10744
0.00937
3
0.00000
0.03546
0.05429
4
0.00000
-0.03128
-0.04385
5
0.00000
0.03128
-0.04385
6
0.00000
-0.03546
0.05429
7
0.00000
0.00279
-0.03612
8
0.00000
-0.01017
0.01628
9
0.00000
0.01017
0.01628
10
0.00000
-0.00279
-0.03612
11
0.00000
-0.01754
-0.02763
12
0.00000
0.00100
-0.00062
13
0.00000
-0.00100
-0.00062
14
0.00000
0.01754
-0.02763
15
0.00000
0.02608
0.00353
16
0.00000
-0.02608
0.00353
17
0.00000
-0.05769
0.03336
18
0.00000
0.07484
-0.02628
19
0.00000
-0.07484
-0.02628
20
0.00000
0.05769
0.03336
21
0.00000
0.01786
-0.00602
22
0.00000
-0.01508
-0.00120
23
0.00000
0.01508
-0.00120
24
0.00000
-0.01786
-0.00602
25
0.00000
-0.01207
0.00743
26
0.00000
0.01207
0.00743
27
0.00000
0.00128
0.00801
28
0.00000
-0.00128
0.00801
29
0.00000
-0.05589
0.04753
30
0.00000
0.07363
-0.02816
31
0.00000
-0.07363
-0.02816
32
0.00000
0.05589
0.04753
33
0.00000
0.17210
0.08821
34
0.00000
-0.17238
-0.09313
35
0.00000
0.17238
-0.09313
36
0.00000
-0.17210
0.08821
37
0.00000
0.00473
0.01065
38
0.00000
0.02517
0.01275
39
0.00000
-0.02517
0.01275
40
0.00000
-0.00473
0.01065
41
0.00000
-0.01311
0.07480
42
0.00000
0.01311
0.07480