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)
1.51300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00143
-0.07563
2
0.00000
-0.00143
-0.07563
3
0.00000
-0.01916
-0.04534
4
0.00000
-0.01875
-0.03428
5
0.00000
0.01875
-0.03428
6
0.00000
0.01916
-0.04534
7
0.00000
-0.04355
0.00668
8
0.00000
-0.03876
0.02289
9
0.00000
0.03876
0.02289
10
0.00000
0.04355
0.00668
11
0.00000
-0.01427
0.00551
12
0.00000
-0.00297
0.02287
13
0.00000
0.00297
0.02287
14
0.00000
0.01427
0.00551
15
0.00000
0.00614
-0.03489
16
0.00000
-0.00614
-0.03489
17
0.00000
0.06564
0.00479
18
0.00000
0.05126
-0.00980
19
0.00000
-0.05126
-0.00980
20
0.00000
-0.06564
0.00479
21
0.00000
-0.05652
0.07443
22
0.00000
-0.04728
0.05036
23
0.00000
0.04728
0.05036
24
0.00000
0.05652
0.07443
25
0.00000
-0.03960
0.01170
26
0.00000
0.03960
0.01170
27
0.00000
-0.00687
-0.00156
28
0.00000
0.00687
-0.00156
29
0.00000
0.06559
-0.05226
30
0.00000
0.05227
-0.05814
31
0.00000
-0.05227
-0.05814
32
0.00000
-0.06559
-0.05226
33
0.00000
-0.10941
0.03998
34
0.00000
-0.11093
0.01221
35
0.00000
0.11093
0.01221
36
0.00000
0.10941
0.03998
37
0.00000
0.02101
0.01800
38
0.00000
0.01532
0.03405
39
0.00000
-0.01532
0.03405
40
0.00000
-0.02101
0.01800
41
0.00000
-0.03903
0.03329
42
0.00000
0.03903
0.03329