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)
-0.96200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.03669
0.00060
2
0.00000
-0.03669
-0.00059
3
0.00000
0.03477
0.03820
4
0.00000
0.03047
0.03993
5
0.00000
0.03047
-0.03993
6
0.00000
0.03477
-0.03821
7
0.00000
-0.04163
-0.00131
8
0.00000
-0.04136
0.01712
9
0.00000
-0.04137
-0.01713
10
0.00000
-0.04163
0.00130
11
0.00000
0.03888
-0.02913
12
0.00000
-0.00499
-0.03732
13
0.00000
-0.00500
0.03733
14
0.00000
0.03888
0.02913
15
0.00000
-0.04765
0.00590
16
0.00000
-0.04764
-0.00591
17
0.00000
0.02080
-0.03664
18
0.00000
0.03679
0.00729
19
0.00000
0.03679
-0.00729
20
0.00000
0.02080
0.03663
21
0.00000
0.00095
0.01052
22
0.00000
-0.00869
-0.03143
23
0.00000
-0.00869
0.03144
24
0.00000
0.00095
-0.01052
25
0.00000
-0.01324
-0.01384
26
0.00000
-0.01324
0.01384
27
0.00000
-0.01488
0.00598
28
0.00000
-0.01489
-0.00598
29
0.00000
0.02195
0.09071
30
0.00000
0.04119
-0.17200
31
0.00000
0.04119
0.17202
32
0.00000
0.02195
-0.09070
33
0.00000
0.05721
0.04603
34
0.00000
0.26118
0.12171
35
0.00000
0.26118
-0.12170
36
0.00000
0.05721
-0.04602
37
0.00000
0.03723
0.03920
38
0.00000
0.14426
0.04924
39
0.00000
0.14425
-0.04923
40
0.00000
0.03723
-0.03920
41
0.00000
-0.00962
0.29556
42
0.00000
-0.00962
-0.29557