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)
2.36600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.03066
-0.05229
2
0.00000
0.03065
0.05230
3
0.00000
0.00100
0.03951
4
0.00000
-0.02450
-0.03893
5
0.00000
-0.02450
0.03893
6
0.00000
0.00099
-0.03951
7
0.00000
-0.00804
-0.00613
8
0.00000
0.04495
0.01366
9
0.00000
0.04496
-0.01366
10
0.00000
-0.00803
0.00613
11
0.00000
0.01493
-0.06918
12
0.00000
-0.01110
-0.00669
13
0.00000
-0.01107
0.00668
14
0.00000
0.01492
0.06919
15
0.00000
-0.02882
0.01289
16
0.00000
-0.02881
-0.01293
17
0.00000
0.00099
-0.01479
18
0.00000
0.01762
0.00758
19
0.00000
0.01763
-0.00757
20
0.00000
0.00099
0.01483
21
0.00000
0.00737
0.00907
22
0.00000
-0.04494
-0.01842
23
0.00000
-0.04496
0.01843
24
0.00000
0.00737
-0.00909
25
0.00000
0.00262
0.11075
26
0.00000
0.00261
-0.11077
27
0.00000
-0.02300
-0.06705
28
0.00000
-0.02298
0.06705
29
0.00000
0.00093
0.00576
30
0.00000
0.01985
-0.00786
31
0.00000
0.01987
0.00783
32
0.00000
0.00093
-0.00585
33
0.00000
0.01300
0.01156
34
0.00000
0.07300
0.05288
35
0.00000
0.07304
-0.05291
36
0.00000
0.01301
-0.01158
37
0.00000
0.10157
-0.00173
38
0.00000
0.03701
0.02104
39
0.00000
0.03699
-0.02101
40
0.00000
0.10154
0.00176
41
0.00000
-0.00441
-0.20921
42
0.00000
-0.00442
0.20928