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)
-0.59100
Diff mu Y
(Debye)
0.05600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00012
-0.00009
0.00000
2
0.00006
0.00013
0.00000
3
-0.00081
0.00046
0.00000
4
-0.00020
0.00029
0.00000
5
-0.00016
-0.00025
0.00000
6
-0.00065
0.00051
0.00000
7
0.01278
0.01169
0.00000
8
0.01932
-0.00760
0.00000
9
0.01531
-0.00597
0.00000
10
0.01063
0.01017
0.00000
11
0.00057
0.00098
0.00000
12
0.02859
-0.00778
0.00000
13
0.00561
-0.00131
0.00000
14
-0.00287
-0.00122
0.00000
15
0.00030
0.00058
0.00000
16
0.00670
-0.03561
0.00000
17
-0.02685
0.00784
0.00000
18
-0.02582
-0.02382
0.00000
19
0.00893
-0.03750
0.00000
20
0.01703
-0.00301
0.00000
21
-0.14765
-0.12532
0.00000
22
-0.22645
0.07509
0.00000
23
-0.17855
0.06024
0.00000
24
-0.12438
-0.11131
0.00000
25
-0.32109
0.10799
0.00000
26
-0.06570
0.02085
0.00000
27
0.01842
0.01358
0.00000
28
-0.07729
0.39932
0.00000
29
-0.09506
0.41508
0.00000
30
0.28072
0.26559
0.00000
31
0.30186
-0.08047
0.00000
32
-0.17868
0.04895
0.00000