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)
-1074.14485
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00579 c
(cm-1)
0.00375
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03021
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.04900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.06674
-0.02304
2
0.00000
-0.06674
0.02304
3
0.00000
0.04938
-0.03183
4
0.00000
0.01551
-0.01496
5
0.00000
0.01551
0.01497
6
0.00000
0.04938
0.03183
7
0.00000
0.02227
0.00869
8
0.00000
0.03785
-0.01412
9
0.00000
0.03785
0.01412
10
0.00000
0.02227
-0.00869
11
0.00000
-0.01803
0.02995
12
0.00000
-0.00808
0.01686
13
0.00000
-0.00808
-0.01686
14
0.00000
-0.01803
-0.02995
15
0.00000
-0.03719
-0.00090
16
0.00000
-0.03718
0.00090
17
0.00000
0.02817
0.00363
18
0.00000
0.01544
-0.03346
19
0.00000
0.01544
0.03346
20
0.00000
0.02817
-0.00363
21
0.00000
-0.03050
-0.00489
22
0.00000
-0.00865
0.03926
23
0.00000
-0.00865
-0.03926
24
0.00000
-0.03050
0.00489
25
0.00000
0.02457
0.02146
26
0.00000
0.02457
-0.02145
27
0.00000
-0.00370
-0.01462
28
0.00000
-0.00370
0.01462
29
0.00000
0.02820
0.10076
30
0.00000
0.01611
-0.35283
31
0.00000
0.01611
0.35283
32
0.00000
0.02820
-0.10076
33
0.00000
-0.23804
-0.12823
34
0.00000
0.08904
0.09725
35
0.00000
0.08903
-0.09724
36
0.00000
-0.23805
0.12824
37
0.00000
-0.13989
-0.09561
38
0.00000
-0.02284
0.00831
39
0.00000
-0.02285
-0.00831
40
0.00000
-0.13986
0.09559
41
0.00000
0.02567
0.02854
42
0.00000
0.02567
-0.02851