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)
-0.28300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01817
0.05908
2
0.00000
0.01817
-0.05908
3
0.00000
0.04596
0.06923
4
0.00000
0.03336
-0.01745
5
0.00000
0.03336
0.01745
6
0.00000
0.04596
-0.06923
7
0.00000
0.00172
0.05929
8
0.00000
0.01764
0.02896
9
0.00000
0.01764
-0.02896
10
0.00000
0.00172
-0.05929
11
0.00000
-0.02053
0.01334
12
0.00000
-0.02186
0.08784
13
0.00000
-0.02186
-0.08784
14
0.00000
-0.02053
-0.01334
15
0.00000
-0.02444
-0.00979
16
0.00000
-0.02444
0.00979
17
0.00000
-0.00183
-0.01043
18
0.00000
-0.06344
0.01549
19
0.00000
-0.06344
-0.01549
20
0.00000
-0.00183
0.01043
21
0.00000
-0.00229
-0.00096
22
0.00000
0.01408
-0.02647
23
0.00000
0.01408
0.02647
24
0.00000
-0.00229
0.00096
25
0.00000
-0.02251
-0.02433
26
0.00000
-0.02251
0.02433
27
0.00000
0.02958
-0.06532
28
0.00000
0.02958
0.06532
29
0.00000
-0.00058
0.02150
30
0.00000
-0.06322
0.05978
31
0.00000
-0.06322
-0.05978
32
0.00000
-0.00058
-0.02150
33
0.00000
-0.04098
-0.02264
34
0.00000
0.03871
-0.01390
35
0.00000
0.03871
0.01390
36
0.00000
-0.04098
0.02264
37
0.00000
-0.02222
-0.09626
38
0.00000
0.06651
0.13777
39
0.00000
0.06651
-0.13777
40
0.00000
-0.02222
0.09626
41
0.00000
-0.02142
0.01611
42
0.00000
-0.02142
-0.01611