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)
0.06900
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02122
-0.02239
2
0.00000
0.02122
-0.02239
3
0.00000
-0.01393
0.01799
4
0.00000
0.00110
-0.00426
5
0.00000
-0.00110
-0.00426
6
0.00000
0.01393
0.01799
7
0.00000
-0.01569
0.01921
8
0.00000
-0.00988
0.00320
9
0.00000
0.00988
0.00320
10
0.00000
0.01569
0.01921
11
0.00000
-0.03473
-0.00674
12
0.00000
-0.00250
0.00069
13
0.00000
0.00250
0.00069
14
0.00000
0.03473
-0.00674
15
0.00000
-0.00530
-0.02831
16
0.00000
0.00530
-0.02831
17
0.00000
-0.00141
-0.00404
18
0.00000
-0.01091
0.01266
19
0.00000
0.01091
0.01266
20
0.00000
0.00141
-0.00404
21
0.00000
0.01016
-0.00610
22
0.00000
-0.00095
-0.00560
23
0.00000
0.00095
-0.00560
24
0.00000
-0.01016
-0.00610
25
0.00000
0.00651
0.01860
26
0.00000
-0.00651
0.01860
27
0.00000
-0.02913
-0.02491
28
0.00000
0.02913
-0.02491
29
0.00000
-0.00324
0.07993
30
0.00000
-0.01168
0.15816
31
0.00000
0.01168
0.15816
32
0.00000
0.00324
0.07993
33
0.00000
0.09039
0.04639
34
0.00000
0.00035
-0.00492
35
0.00000
-0.00035
-0.00492
36
0.00000
-0.09039
0.04639
37
0.00000
-0.44579
-0.26823
38
0.00000
0.03749
0.02558
39
0.00000
-0.03749
0.02558
40
0.00000
0.44579
-0.26823
41
0.00000
0.00982
0.32012
42
0.00000
-0.00982
0.32012