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)
0.00000
Diff mu Z
(Debye)
0.74400
Eigenvectors
#
X
Y
Z
1
0.00000
-0.04462
-0.01695
2
0.00000
0.04461
-0.01695
3
0.00000
-0.01143
0.02838
4
0.00000
0.04627
-0.03978
5
0.00000
-0.04627
-0.03978
6
0.00000
0.01144
0.02837
7
0.00000
0.00646
0.02009
8
0.00000
0.08310
0.06641
9
0.00000
-0.08310
0.06639
10
0.00000
-0.00645
0.02009
11
0.00000
-0.00822
-0.03071
12
0.00000
0.00891
-0.03509
13
0.00000
-0.00891
-0.03508
14
0.00000
0.00822
-0.03070
15
0.00000
-0.00508
0.00946
16
0.00000
0.00508
0.00947
17
0.00000
-0.00091
-0.01166
18
0.00000
-0.03255
0.00264
19
0.00000
0.03255
0.00264
20
0.00000
0.00091
-0.01165
21
0.00000
0.01564
0.00733
22
0.00000
-0.01445
0.01821
23
0.00000
0.01445
0.01820
24
0.00000
-0.01564
0.00733
25
0.00000
-0.00903
-0.00691
26
0.00000
0.00903
-0.00691
27
0.00000
0.00104
0.01052
28
0.00000
-0.00104
0.01052
29
0.00000
-0.00060
-0.15284
30
0.00000
-0.03624
0.04543
31
0.00000
0.03624
0.04547
32
0.00000
0.00060
-0.15281
33
0.00000
0.07429
0.04359
34
0.00000
-0.35773
-0.17693
35
0.00000
0.35771
-0.17692
36
0.00000
-0.07427
0.04357
37
0.00000
0.05410
0.04383
38
0.00000
-0.08715
-0.10030
39
0.00000
0.08712
-0.10028
40
0.00000
-0.05409
0.04382
41
0.00000
-0.00949
0.03601
42
0.00000
0.00949
0.03600