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)
-768.41876
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02837 b
(cm-1)
0.00856 c
(cm-1)
0.00657
Dipole Moments
mu_x(Debye)
-0.01429 mu_y
(Debye)
-0.01154 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.33800
Diff mu Y
(Debye)
-0.10700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03949
0.03222
0.00000
2
0.01806
-0.06232
0.00000
3
-0.05462
0.07842
0.00000
4
0.03503
0.00814
0.00000
5
0.05481
0.05395
0.00000
6
-0.02761
0.00993
0.00000
7
-0.00745
0.01525
0.00000
8
0.01097
0.00346
0.00000
9
-0.01003
0.00198
0.00000
10
-0.01111
0.00286
0.00000
11
0.07324
-0.04999
0.00000
12
-0.00312
0.02112
0.00000
13
-0.00507
0.01201
0.00000
14
0.00619
0.00989
0.00000
15
0.04209
-0.07410
0.00000
16
-0.00347
-0.02047
0.00000
17
-0.02856
-0.00723
0.00000
18
0.00687
0.01385
0.00000
19
-0.01733
-0.00068
0.00000
20
-0.02129
0.02781
0.00000
21
0.05941
-0.05819
0.00000
22
-0.10099
-0.34099
0.00000
23
-0.08755
-0.22066
0.00000
24
0.08560
-0.10392
0.00000
25
-0.01354
-0.01729
0.00000
26
-0.09906
-0.30025
0.00000
27
0.00410
0.01014
0.00000
28
0.01148
-0.01864
0.00000
29
0.05431
0.01876
0.00000
30
-0.07811
0.10279
0.00000
31
-0.09479
-0.24669
0.00000
32
0.04373
0.26872
0.00000