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)
-1074.14485
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)
-0.10100
Eigenvectors
#
X
Y
Z
1
0.00000
-0.06684
-0.00082
2
0.00000
0.06684
-0.00081
3
0.00000
0.03526
0.01897
4
0.00000
-0.05157
-0.01644
5
0.00000
0.05157
-0.01643
6
0.00000
-0.03526
0.01895
7
0.00000
-0.02664
-0.02359
8
0.00000
0.03691
0.02284
9
0.00000
-0.03691
0.02283
10
0.00000
0.02664
-0.02357
11
0.00000
-0.00053
0.00628
12
0.00000
-0.01102
-0.00760
13
0.00000
0.01102
-0.00760
14
0.00000
0.00053
0.00626
15
0.00000
0.04891
0.00528
16
0.00000
-0.04890
0.00527
17
0.00000
-0.03200
-0.06471
18
0.00000
0.03544
0.06183
19
0.00000
-0.03544
0.06182
20
0.00000
0.03199
-0.06469
21
0.00000
0.05387
0.05747
22
0.00000
-0.05874
-0.05886
23
0.00000
0.05874
-0.05885
24
0.00000
-0.05386
0.05745
25
0.00000
0.00265
-0.00068
26
0.00000
-0.00266
-0.00065
27
0.00000
-0.00758
-0.00235
28
0.00000
0.00759
-0.00237
29
0.00000
-0.03701
0.09130
30
0.00000
0.04157
-0.08289
31
0.00000
-0.04157
-0.08288
32
0.00000
0.03701
0.09128
33
0.00000
-0.09867
-0.03073
34
0.00000
0.10192
0.02532
35
0.00000
-0.10192
0.02532
36
0.00000
0.09865
-0.03073
37
0.00000
0.00629
0.00631
38
0.00000
0.01442
0.00590
39
0.00000
-0.01442
0.00590
40
0.00000
-0.00632
0.00631
41
0.00000
0.00319
0.01332
42
0.00000
-0.00319
0.01327