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)
1.68100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01968
0.08438
2
0.00000
-0.01968
-0.08438
3
0.00000
-0.00024
-0.07460
4
0.00000
0.01851
0.05328
5
0.00000
0.01851
-0.05328
6
0.00000
-0.00024
0.07460
7
0.00000
-0.01941
0.01849
8
0.00000
-0.01978
-0.00389
9
0.00000
-0.01978
0.00389
10
0.00000
-0.01941
-0.01849
11
0.00000
0.00082
0.01844
12
0.00000
-0.00032
-0.01002
13
0.00000
-0.00032
0.01002
14
0.00000
0.00082
-0.01844
15
0.00000
0.02055
-0.03604
16
0.00000
0.02055
0.03604
17
0.00000
0.01518
0.07379
18
0.00000
-0.01047
0.00627
19
0.00000
-0.01047
-0.00627
20
0.00000
0.01518
-0.07379
21
0.00000
-0.01739
-0.05035
22
0.00000
0.02254
0.00099
23
0.00000
0.02254
-0.00099
24
0.00000
-0.01739
0.05035
25
0.00000
0.02823
0.02874
26
0.00000
0.02823
-0.02874
27
0.00000
-0.04131
-0.05999
28
0.00000
-0.04131
0.05999
29
0.00000
0.01771
-0.12495
30
0.00000
-0.01073
0.00741
31
0.00000
-0.01073
-0.00741
32
0.00000
0.01771
0.12495
33
0.00000
0.06809
0.00170
34
0.00000
-0.04835
-0.04185
35
0.00000
-0.04835
0.04185
36
0.00000
0.06809
-0.00170
37
0.00000
0.19858
0.07935
38
0.00000
0.01528
-0.00010
39
0.00000
0.01528
0.00010
40
0.00000
0.19858
-0.07935
41
0.00000
0.03055
-0.00421
42
0.00000
0.03055
0.00421