Charge: 1
Inchi:1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H/q+1
Electronic States
Energy
(eV)
-768.18063
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02857 b
(cm-1)
0.00852 c
(cm-1)
0.00656
Dipole Moments
mu_x(Debye)
-0.12448 mu_y
(Debye)
-0.13148 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.79900
Diff mu Y
(Debye)
-0.32700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03524
-0.04917
0.00000
2
-0.09317
0.01100
0.00000
3
0.06553
0.01517
0.00000
4
0.06317
-0.04705
0.00000
5
0.04112
0.00033
0.00000
6
0.07193
0.08360
0.00000
7
-0.02351
0.03271
0.00000
8
-0.01643
-0.04456
0.00000
9
-0.00531
-0.02155
0.00000
10
-0.03254
0.01096
0.00000
11
-0.03617
-0.00354
0.00000
12
0.02892
0.07829
0.00000
13
-0.01675
0.01734
0.00000
14
0.05684
-0.08063
0.00000
15
0.03320
-0.03306
0.00000
16
-0.07454
-0.00556
0.00000
17
0.00575
0.04464
0.00000
18
0.02978
-0.03900
0.00000
19
-0.04563
-0.01074
0.00000
20
0.01655
0.04197
0.00000
21
-0.07875
0.09839
0.00000
22
0.00129
-0.00095
0.00000
23
-0.02256
-0.07421
0.00000
24
-0.09685
0.08477
0.00000
25
-0.02170
-0.07733
0.00000
26
-0.03088
-0.02774
0.00000
27
-0.04705
0.04153
0.00000
28
-0.05862
-0.00150
0.00000
29
0.02541
0.00561
0.00000
30
-0.04305
0.03706
0.00000
31
-0.03119
-0.09384
0.00000
32
0.00498
-0.00542
0.00000