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)
-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)
-1.03700
Diff mu Y
(Debye)
-0.24800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00049
-0.00004
0.00000
2
0.00049
0.00020
0.00000
3
0.00000
0.00008
0.00000
4
-0.00002
-0.00040
0.00000
5
0.00092
0.00184
0.00000
6
0.00173
-0.00141
0.00000
7
-0.00069
-0.00069
0.00000
8
-0.00037
0.00022
0.00000
9
-0.05470
0.02254
0.00000
10
-0.04215
-0.04404
0.00000
11
0.00008
-0.00005
0.00000
12
-0.00592
0.00177
0.00000
13
-0.00551
0.00159
0.00000
14
-0.00335
-0.00315
0.00000
15
0.00014
-0.00001
0.00000
16
-0.00120
0.00770
0.00000
17
0.00103
-0.00018
0.00000
18
-0.00127
-0.00118
0.00000
19
0.00051
-0.00205
0.00000
20
-0.00074
0.00031
0.00000
21
0.00801
0.00728
0.00000
22
0.00385
-0.00118
0.00000
23
0.61925
-0.20983
0.00000
24
0.49580
0.45823
0.00000
25
0.06546
-0.02133
0.00000
26
0.06264
-0.02224
0.00000
27
0.03931
0.03880
0.00000
28
0.01640
-0.08463
0.00000
29
-0.00566
0.02289
0.00000
30
0.01423
0.01353
0.00000
31
-0.01210
0.00318
0.00000
32
0.00903
-0.00285
0.00000