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)
-1074.15550
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00573 c
(cm-1)
0.00372
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.14026
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)
0.08800
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00921
0.02165
2
0.00000
0.00921
0.02165
3
0.00000
-0.00914
0.05834
4
0.00000
0.00947
-0.03718
5
0.00000
-0.00947
-0.03718
6
0.00000
0.00914
0.05834
7
0.00000
-0.03016
-0.00516
8
0.00000
0.01761
-0.04764
9
0.00000
-0.01761
-0.04764
10
0.00000
0.03016
-0.00516
11
0.00000
-0.02161
-0.05760
12
0.00000
-0.01638
0.03604
13
0.00000
0.01638
0.03604
14
0.00000
0.02161
-0.05760
15
0.00000
-0.03673
0.00792
16
0.00000
0.03673
0.00792
17
0.00000
0.04153
0.01115
18
0.00000
-0.00913
-0.00471
19
0.00000
0.00913
-0.00471
20
0.00000
-0.04153
0.01115
21
0.00000
0.02177
-0.02778
22
0.00000
-0.02864
0.02647
23
0.00000
0.02864
0.02647
24
0.00000
-0.02177
-0.02778
25
0.00000
-0.05173
-0.02612
26
0.00000
0.05173
-0.02612
27
0.00000
-0.05521
0.06054
28
0.00000
0.05521
0.06054
29
0.00000
0.04371
0.13088
30
0.00000
-0.00990
-0.17122
31
0.00000
0.00990
-0.17122
32
0.00000
-0.04371
0.13088
33
0.00000
-0.03081
-0.06505
34
0.00000
0.05327
0.07405
35
0.00000
-0.05327
0.07405
36
0.00000
0.03081
-0.06505
37
0.00000
-0.15267
0.00890
38
0.00000
-0.16291
-0.04659
39
0.00000
0.16291
-0.04659
40
0.00000
0.15267
0.00890
41
0.00000
-0.05812
-0.12051
42
0.00000
0.05812
-0.12051