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)
-0.60400
Eigenvectors
#
X
Y
Z
1
0.00000
-0.06228
-0.02933
2
0.00000
0.06228
-0.02933
3
0.00000
-0.03981
0.06426
4
0.00000
-0.00779
-0.04004
5
0.00000
0.00779
-0.04004
6
0.00000
0.03981
0.06426
7
0.00000
0.03561
-0.05128
8
0.00000
-0.04876
0.07205
9
0.00000
0.04876
0.07205
10
0.00000
-0.03561
-0.05128
11
0.00000
0.03454
0.00687
12
0.00000
-0.02693
-0.01998
13
0.00000
0.02693
-0.01998
14
0.00000
-0.03454
0.00687
15
0.00000
0.06343
0.01784
16
0.00000
-0.06343
0.01784
17
0.00000
0.00238
0.04757
18
0.00000
0.00417
-0.01976
19
0.00000
-0.00417
-0.01976
20
0.00000
-0.00238
0.04757
21
0.00000
-0.02875
-0.03384
22
0.00000
0.03961
-0.00601
23
0.00000
-0.03961
-0.00601
24
0.00000
0.02875
-0.03384
25
0.00000
0.00017
0.02083
26
0.00000
-0.00017
0.02083
27
0.00000
-0.00159
-0.01129
28
0.00000
0.00159
-0.01129
29
0.00000
0.00548
-0.00269
30
0.00000
0.00556
-0.12679
31
0.00000
-0.00556
-0.12679
32
0.00000
-0.00548
-0.00269
33
0.00000
-0.06530
-0.05749
34
0.00000
0.11032
0.03458
35
0.00000
-0.11032
0.03458
36
0.00000
0.06530
-0.05749
37
0.00000
-0.02492
-0.02625
38
0.00000
-0.10501
-0.06354
39
0.00000
0.10501
-0.06354
40
0.00000
0.02492
-0.02625
41
0.00000
0.00041
0.02916
42
0.00000
-0.00041
0.02916