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)
2.59300
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01088
-0.01025
2
0.00000
0.01088
-0.01025
3
0.00000
0.06533
0.00677
4
0.00000
0.03277
0.00679
5
0.00000
-0.03277
0.00679
6
0.00000
-0.06533
0.00677
7
0.00000
0.04292
-0.00519
8
0.00000
-0.00345
-0.00797
9
0.00000
0.00345
-0.00797
10
0.00000
-0.04292
-0.00519
11
0.00000
-0.11609
0.04537
12
0.00000
-0.00595
0.00299
13
0.00000
0.00595
0.00299
14
0.00000
0.11609
0.04537
15
0.00000
0.00660
-0.01984
16
0.00000
-0.00660
-0.01984
17
0.00000
0.00007
0.02108
18
0.00000
0.00379
-0.00133
19
0.00000
-0.00379
-0.00133
20
0.00000
-0.00007
0.02108
21
0.00000
-0.02406
0.00389
22
0.00000
-0.00772
0.00251
23
0.00000
0.00772
0.00251
24
0.00000
0.02406
0.00389
25
0.00000
0.00345
-0.09099
26
0.00000
-0.00345
-0.09099
27
0.00000
0.07485
0.04699
28
0.00000
-0.07485
0.04699
29
0.00000
-0.00032
-0.03833
30
0.00000
0.00246
0.02983
31
0.00000
-0.00246
0.02983
32
0.00000
0.00032
-0.03833
33
0.00000
-0.05041
-0.00943
34
0.00000
0.02095
0.01942
35
0.00000
-0.02095
0.01942
36
0.00000
0.05041
-0.00943
37
0.00000
-0.05095
-0.02691
38
0.00000
0.01808
0.01836
39
0.00000
-0.01808
0.01836
40
0.00000
0.05095
-0.02691
41
0.00000
0.00527
-0.00258
42
0.00000
-0.00527
-0.00258