Charge: 0
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
Electronic States
Energy
(eV)
-767.79023
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02870 b
(cm-1)
0.00846 c
(cm-1)
0.00654
Dipole Moments
mu_x(Debye)
-0.17956 mu_y
(Debye)
-0.00356 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.32300
Diff mu Y
(Debye)
0.28100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03683
-0.05946
0.00000
2
0.06778
0.06472
0.00000
3
0.03089
0.03585
0.00000
4
-0.04848
-0.02447
0.00000
5
0.04114
0.05471
0.00000
6
-0.06701
-0.03730
0.00000
7
-0.00794
-0.02472
0.00000
8
0.01750
0.03869
0.00000
9
-0.03515
-0.08364
0.00000
10
0.02453
0.03647
0.00000
11
-0.04538
-0.06340
0.00000
12
0.01431
0.00261
0.00000
13
0.00771
0.00375
0.00000
14
0.03259
-0.00525
0.00000
15
-0.00534
-0.01686
0.00000
16
-0.02580
0.00207
0.00000
17
0.05758
0.07850
0.00000
18
-0.06217
0.00149
0.00000
19
0.06392
-0.00054
0.00000
20
-0.01721
0.01606
0.00000
21
-0.06221
0.03547
0.00000
22
-0.01726
-0.06794
0.00000
23
0.05220
0.18201
0.00000
24
0.04681
0.02134
0.00000
25
0.00080
-0.03925
0.00000
26
0.01961
0.03349
0.00000
27
-0.04545
0.08946
0.00000
28
0.05381
0.02006
0.00000
29
-0.13191
-0.05147
0.00000
30
0.06100
-0.14174
0.00000
31
-0.01384
-0.24916
0.00000
32
-0.04244
-0.06204
0.00000