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)
0.15800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02950
-0.01163
2
0.00000
-0.02950
0.01163
3
0.00000
-0.04478
0.00111
4
0.00000
-0.00920
0.00625
5
0.00000
-0.00920
-0.00625
6
0.00000
-0.04478
-0.00111
7
0.00000
-0.04196
0.01206
8
0.00000
0.01632
0.02023
9
0.00000
0.01632
-0.02023
10
0.00000
-0.04196
-0.01206
11
0.00000
-0.01649
0.01586
12
0.00000
0.04130
0.00946
13
0.00000
0.04130
-0.00946
14
0.00000
-0.01649
-0.01586
15
0.00000
-0.02908
-0.02982
16
0.00000
-0.02908
0.02982
17
0.00000
-0.03385
-0.02611
18
0.00000
-0.00531
0.04716
19
0.00000
-0.00531
-0.04716
20
0.00000
-0.03385
0.02611
21
0.00000
-0.04424
-0.00914
22
0.00000
0.01569
0.03817
23
0.00000
0.01569
-0.03817
24
0.00000
-0.04424
0.00914
25
0.00000
0.04953
0.05418
26
0.00000
0.04953
-0.05418
27
0.00000
0.11540
0.02417
28
0.00000
0.11540
-0.02417
29
0.00000
-0.03437
-0.03114
30
0.00000
-0.00542
0.07122
31
0.00000
-0.00542
-0.07122
32
0.00000
-0.03437
0.03114
33
0.00000
-0.05421
-0.01181
34
0.00000
0.02780
0.04532
35
0.00000
0.02780
-0.04532
36
0.00000
-0.05421
0.01181
37
0.00000
0.15345
0.04643
38
0.00000
0.05633
0.01787
39
0.00000
0.05633
-0.01787
40
0.00000
0.15345
-0.04643
41
0.00000
0.04872
0.11053
42
0.00000
0.04872
-0.11053