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)
-0.59200
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01635
0.00819
2
0.00000
0.01635
0.00819
3
0.00000
-0.01038
0.03893
4
0.00000
0.01004
-0.02868
5
0.00000
-0.01004
-0.02868
6
0.00000
0.01038
0.03893
7
0.00000
-0.01537
0.01351
8
0.00000
0.01003
-0.03187
9
0.00000
-0.01003
-0.03187
10
0.00000
0.01537
0.01351
11
0.00000
-0.00360
-0.03966
12
0.00000
-0.00996
0.02611
13
0.00000
0.00996
0.02611
14
0.00000
0.00360
-0.03966
15
0.00000
-0.02914
0.00611
16
0.00000
0.02914
0.00611
17
0.00000
0.02945
0.01139
18
0.00000
-0.01222
0.00087
19
0.00000
0.01222
0.00087
20
0.00000
-0.02945
0.01139
21
0.00000
0.01463
-0.02478
22
0.00000
-0.01777
0.01638
23
0.00000
0.01777
0.01638
24
0.00000
-0.01463
-0.02478
25
0.00000
-0.05902
-0.04762
26
0.00000
0.05902
-0.04762
27
0.00000
-0.08006
0.07503
28
0.00000
0.08006
0.07503
29
0.00000
0.03145
0.11131
30
0.00000
-0.01233
-0.08810
31
0.00000
0.01233
-0.08810
32
0.00000
-0.03145
0.11131
33
0.00000
-0.07623
-0.08620
34
0.00000
0.03697
0.04853
35
0.00000
-0.03697
0.04853
36
0.00000
0.07623
-0.08620
37
0.00000
-0.20562
0.01111
38
0.00000
-0.09129
-0.01935
39
0.00000
0.09129
-0.01935
40
0.00000
0.20562
0.01111
41
0.00000
-0.06721
-0.26198
42
0.00000
0.06721
-0.26198