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)
0.00000
Diff mu Z
(Debye)
0.23200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00941
-0.04696
2
0.00000
-0.00941
-0.04696
3
0.00000
0.00079
-0.06170
4
0.00000
0.00199
-0.04465
5
0.00000
-0.00199
-0.04465
6
0.00000
-0.00079
-0.06170
7
0.00000
-0.00631
-0.03803
8
0.00000
0.02307
0.00018
9
0.00000
-0.02307
0.00018
10
0.00000
0.00631
-0.03803
11
0.00000
-0.02086
0.00941
12
0.00000
-0.01125
0.09003
13
0.00000
0.01125
0.09003
14
0.00000
0.02086
0.00941
15
0.00000
0.01552
0.02692
16
0.00000
-0.01552
0.02692
17
0.00000
-0.04050
0.03847
18
0.00000
-0.07908
-0.00986
19
0.00000
0.07908
-0.00986
20
0.00000
0.04050
0.03847
21
0.00000
-0.02931
0.03761
22
0.00000
-0.00637
-0.04823
23
0.00000
0.00637
-0.04823
24
0.00000
0.02931
0.03761
25
0.00000
-0.06359
0.02842
26
0.00000
0.06358
0.02843
27
0.00000
-0.00735
0.00262
28
0.00000
0.00735
0.00262
29
0.00000
-0.04138
0.00636
30
0.00000
-0.07936
-0.01047
31
0.00000
0.07936
-0.01047
32
0.00000
0.04139
0.00636
33
0.00000
0.01949
0.06774
34
0.00000
0.01278
-0.03585
35
0.00000
-0.01278
-0.03586
36
0.00000
-0.01949
0.06774
37
0.00000
0.03828
0.03092
38
0.00000
-0.06291
0.06325
39
0.00000
0.06291
0.06325
40
0.00000
-0.03828
0.03092
41
0.00000
-0.06411
0.06573
42
0.00000
0.06411
0.06573