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)
-0.11700
Eigenvectors
#
X
Y
Z
1
0.00000
-0.04515
0.02239
2
0.00000
0.04515
0.02239
3
0.00000
0.04372
-0.00100
4
0.00000
-0.00226
-0.02923
5
0.00000
0.00226
-0.02923
6
0.00000
-0.04372
-0.00100
7
0.00000
-0.04391
-0.00975
8
0.00000
-0.01805
0.02743
9
0.00000
0.01805
0.02743
10
0.00000
0.04391
-0.00975
11
0.00000
0.02406
0.01058
12
0.00000
0.08755
0.00901
13
0.00000
-0.08755
0.00901
14
0.00000
-0.02406
0.01058
15
0.00000
0.03617
-0.04938
16
0.00000
-0.03617
-0.04938
17
0.00000
-0.02217
0.00759
18
0.00000
0.02297
0.08631
19
0.00000
-0.02297
0.08631
20
0.00000
0.02217
0.00759
21
0.00000
0.04237
0.01751
22
0.00000
-0.03455
-0.06074
23
0.00000
0.03455
-0.06074
24
0.00000
-0.04237
0.01751
25
0.00000
-0.00284
-0.01828
26
0.00000
0.00284
-0.01828
27
0.00000
-0.00529
0.00590
28
0.00000
0.00529
0.00590
29
0.00000
-0.02649
-0.02098
30
0.00000
0.02542
-0.14420
31
0.00000
-0.02542
-0.14420
32
0.00000
0.02649
-0.02098
33
0.00000
-0.08175
-0.05753
34
0.00000
0.08909
0.00532
35
0.00000
-0.08909
0.00532
36
0.00000
0.08175
-0.05753
37
0.00000
0.01119
0.01506
38
0.00000
-0.07266
-0.09490
39
0.00000
0.07266
-0.09490
40
0.00000
-0.01119
0.01506
41
0.00000
-0.00296
0.07873
42
0.00000
0.00296
0.07873