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)
-1074.15550
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00573 c
(cm-1)
0.00372
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.14026
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)
-0.17500
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01953
0.01528
2
0.00000
0.01953
0.01528
3
0.00000
-0.00694
-0.01105
4
0.00000
-0.00033
0.01239
5
0.00000
0.00033
0.01239
6
0.00000
0.00694
-0.01105
7
0.00000
0.01248
-0.00402
8
0.00000
-0.02046
-0.03471
9
0.00000
0.02046
-0.03471
10
0.00000
-0.01248
-0.00402
11
0.00000
0.00670
0.00530
12
0.00000
-0.05253
0.01461
13
0.00000
0.05253
0.01461
14
0.00000
-0.00670
0.00530
15
0.00000
0.00861
0.02171
16
0.00000
-0.00861
0.02171
17
0.00000
0.00684
0.00271
18
0.00000
0.03680
0.03698
19
0.00000
-0.03680
0.03698
20
0.00000
-0.00684
0.00271
21
0.00000
-0.01035
-0.01353
22
0.00000
-0.02458
-0.03590
23
0.00000
0.02458
-0.03590
24
0.00000
0.01035
-0.01353
25
0.00000
0.00381
0.00314
26
0.00000
-0.00381
0.00314
27
0.00000
0.00205
-0.00301
28
0.00000
-0.00205
-0.00301
29
0.00000
0.00787
-0.03327
30
0.00000
0.03898
0.29952
31
0.00000
-0.03898
0.29952
32
0.00000
-0.00787
-0.03327
33
0.00000
-0.04678
-0.03545
34
0.00000
-0.22789
-0.15566
35
0.00000
0.22789
-0.15566
36
0.00000
0.04678
-0.03545
37
0.00000
0.02289
0.00871
38
0.00000
-0.39473
-0.18001
39
0.00000
0.39473
-0.18001
40
0.00000
-0.02289
0.00871
41
0.00000
0.00367
-0.02173
42
0.00000
-0.00367
-0.02173