Charge: 2
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+2
Electronic States
Energy
(eV)
-1073.52965
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01071 b
(cm-1)
0.00574 c
(cm-1)
0.00373
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.04297
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.00100
Diff mu Z
(Debye)
2.12600
Eigenvectors
#
X
Y
Z
1
0.00000
0.01829
0.02373
2
0.00000
-0.01830
0.02371
3
0.00000
0.01977
-0.01826
4
0.00000
0.01124
0.00043
5
0.00000
-0.01123
0.00041
6
0.00000
-0.01976
-0.01825
7
0.00000
-0.03460
0.00627
8
0.00000
-0.01971
-0.00937
9
0.00000
0.01969
-0.00937
10
0.00000
0.03460
0.00627
11
0.00000
0.02071
0.01722
12
0.00000
-0.07642
-0.00670
13
0.00000
0.07642
-0.00670
14
0.00000
-0.02071
0.01719
15
0.00000
-0.01878
-0.07769
16
0.00000
0.01880
-0.07768
17
0.00000
0.00058
0.09352
18
0.00000
-0.02636
0.02348
19
0.00000
0.02635
0.02349
20
0.00000
-0.00059
0.09351
21
0.00000
0.01061
-0.03614
22
0.00000
0.05009
0.02200
23
0.00000
-0.05007
0.02199
24
0.00000
-0.01061
-0.03613
25
0.00000
0.00914
-0.02292
26
0.00000
-0.00914
-0.02287
27
0.00000
-0.04001
-0.00212
28
0.00000
0.04002
-0.00215
29
0.00000
0.00092
-0.20647
30
0.00000
-0.03244
-0.07006
31
0.00000
0.03243
-0.07007
32
0.00000
-0.00093
-0.20646
33
0.00000
-0.03478
-0.07024
34
0.00000
-0.10926
-0.07347
35
0.00000
0.10923
-0.07345
36
0.00000
0.03477
-0.07023
37
0.00000
0.05045
0.05666
38
0.00000
0.04900
0.07730
39
0.00000
-0.04902
0.07731
40
0.00000
-0.05049
0.05666
41
0.00000
0.01253
0.12642
42
0.00000
-0.01253
0.12633