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)
-1073.90487
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01067 b
(cm-1)
0.00577 c
(cm-1)
0.00374
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.09400
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)
-0.33700
Eigenvectors
#
X
Y
Z
1
0.00000
0.02303
-0.03339
2
0.00000
-0.02303
-0.03339
3
0.00000
0.01298
-0.03517
4
0.00000
0.00093
-0.05702
5
0.00000
-0.00093
-0.05702
6
0.00000
-0.01298
-0.03517
7
0.00000
0.05062
-0.01206
8
0.00000
0.02776
-0.04215
9
0.00000
-0.02776
-0.04215
10
0.00000
-0.05062
-0.01206
11
0.00000
0.01172
-0.00677
12
0.00000
0.00594
-0.04273
13
0.00000
-0.00594
-0.04273
14
0.00000
-0.01172
-0.00677
15
0.00000
0.03200
0.04186
16
0.00000
-0.03200
0.04186
17
0.00000
0.05930
0.06098
18
0.00000
-0.00290
0.06629
19
0.00000
0.00290
0.06629
20
0.00000
-0.05930
0.06098
21
0.00000
0.06658
0.04437
22
0.00000
0.03605
0.03620
23
0.00000
-0.03605
0.03620
24
0.00000
-0.06658
0.04437
25
0.00000
-0.00332
-0.01493
26
0.00000
0.00332
-0.01493
27
0.00000
0.00043
-0.02349
28
0.00000
-0.00043
-0.02349
29
0.00000
0.05990
0.07523
30
0.00000
-0.00351
0.09628
31
0.00000
0.00351
0.09628
32
0.00000
-0.05990
0.07523
33
0.00000
0.08925
0.05688
34
0.00000
0.09047
0.06855
35
0.00000
-0.09047
0.06855
36
0.00000
-0.08925
0.05688
37
0.00000
0.00558
-0.02157
38
0.00000
-0.00795
-0.05093
39
0.00000
0.00795
-0.05093
40
0.00000
-0.00558
-0.02157
41
0.00000
-0.00187
-0.00978
42
0.00000
0.00187
-0.00978