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)
0.51800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00073
0.01947
2
0.00000
-0.00073
0.01947
3
0.00000
-0.01299
0.00349
4
0.00000
0.00277
-0.01063
5
0.00000
-0.00277
-0.01063
6
0.00000
0.01299
0.00349
7
0.00000
0.00962
-0.01498
8
0.00000
-0.03825
-0.00755
9
0.00000
0.03825
-0.00755
10
0.00000
-0.00962
-0.01498
11
0.00000
-0.04801
-0.01400
12
0.00000
-0.06472
-0.00310
13
0.00000
0.06472
-0.00310
14
0.00000
0.04801
-0.01400
15
0.00000
-0.00754
-0.05755
16
0.00000
0.00754
-0.05755
17
0.00000
-0.01804
-0.01929
18
0.00000
-0.02553
0.07396
19
0.00000
0.02553
0.07396
20
0.00000
0.01804
-0.01929
21
0.00000
0.02655
0.03798
22
0.00000
0.06668
0.00435
23
0.00000
-0.06668
0.00435
24
0.00000
-0.02655
0.03798
25
0.00000
0.00796
0.04853
26
0.00000
-0.00796
0.04853
27
0.00000
0.01351
-0.01611
28
0.00000
-0.01351
-0.01611
29
0.00000
-0.02468
0.02301
30
0.00000
-0.02987
-0.23137
31
0.00000
0.02987
-0.23137
32
0.00000
0.02468
0.02301
33
0.00000
-0.07223
-0.02141
34
0.00000
-0.16407
-0.13464
35
0.00000
0.16407
-0.13464
36
0.00000
0.07223
-0.02141
37
0.00000
-0.03891
-0.05093
38
0.00000
0.04443
0.07130
39
0.00000
-0.04443
0.07130
40
0.00000
0.03891
-0.05093
41
0.00000
0.00542
-0.18652
42
0.00000
-0.00542
-0.18652