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)
-1074.14485
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00579 c
(cm-1)
0.00375
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03021
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)
0.33600
Eigenvectors
#
X
Y
Z
1
0.00000
-0.06678
-0.01338
2
0.00000
0.06678
-0.01337
3
0.00000
0.11136
0.01561
4
0.00000
-0.05761
-0.01594
5
0.00000
0.05761
-0.01594
6
0.00000
-0.11136
0.01561
7
0.00000
-0.01961
0.00154
8
0.00000
-0.01825
0.00996
9
0.00000
0.01825
0.00996
10
0.00000
0.01961
0.00154
11
0.00000
-0.03111
-0.00060
12
0.00000
0.06313
0.00488
13
0.00000
-0.06313
0.00487
14
0.00000
0.03111
-0.00060
15
0.00000
0.00281
0.00576
16
0.00000
-0.00281
0.00576
17
0.00000
0.01745
0.00349
18
0.00000
-0.02608
-0.03064
19
0.00000
0.02608
-0.03063
20
0.00000
-0.01744
0.00349
21
0.00000
-0.02320
-0.01117
22
0.00000
0.04099
0.02882
23
0.00000
-0.04099
0.02882
24
0.00000
0.02320
-0.01117
25
0.00000
0.01970
0.04658
26
0.00000
-0.01970
0.04658
27
0.00000
-0.02159
-0.02756
28
0.00000
0.02159
-0.02756
29
0.00000
0.02002
0.03716
30
0.00000
-0.03046
0.01749
31
0.00000
0.03046
0.01748
32
0.00000
-0.02002
0.03716
33
0.00000
0.09774
0.06143
34
0.00000
-0.07819
-0.03471
35
0.00000
0.07819
-0.03471
36
0.00000
-0.09773
0.06142
37
0.00000
0.00189
-0.01817
38
0.00000
-0.08503
-0.08785
39
0.00000
0.08502
-0.08785
40
0.00000
-0.00188
-0.01817
41
0.00000
0.01880
-0.18198
42
0.00000
-0.01879
-0.18199