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)
2.71700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.05706
-0.00069
2
0.00000
-0.05707
0.00069
3
0.00000
-0.00345
0.07481
4
0.00000
0.00679
0.06457
5
0.00000
0.00678
-0.06457
6
0.00000
-0.00346
-0.07482
7
0.00000
0.06639
-0.05884
8
0.00000
0.03135
-0.03073
9
0.00000
0.03135
0.03073
10
0.00000
0.06640
0.05885
11
0.00000
-0.00933
0.01990
12
0.00000
-0.00069
0.00930
13
0.00000
-0.00069
-0.00930
14
0.00000
-0.00933
-0.01990
15
0.00000
0.05269
0.00580
16
0.00000
0.05269
-0.00580
17
0.00000
-0.00098
0.03787
18
0.00000
0.00843
0.05660
19
0.00000
0.00843
-0.05660
20
0.00000
-0.00098
-0.03788
21
0.00000
-0.04309
-0.00654
22
0.00000
-0.04477
-0.03482
23
0.00000
-0.04477
0.03482
24
0.00000
-0.04309
0.00655
25
0.00000
0.00283
0.01585
26
0.00000
0.00283
-0.01585
27
0.00000
0.00744
0.00414
28
0.00000
0.00744
-0.00414
29
0.00000
-0.00045
0.05721
30
0.00000
0.01023
-0.06480
31
0.00000
0.01023
0.06481
32
0.00000
-0.00045
-0.05720
33
0.00000
-0.17566
-0.08695
34
0.00000
0.04332
0.01487
35
0.00000
0.04334
-0.01488
36
0.00000
-0.17565
0.08695
37
0.00000
-0.09578
-0.05694
38
0.00000
0.01916
0.02112
39
0.00000
0.01916
-0.02112
40
0.00000
-0.09578
0.05695
41
0.00000
0.00225
-0.03423
42
0.00000
0.00225
0.03423