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)
-768.43015
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02846 b
(cm-1)
0.00844 c
(cm-1)
0.00651
Dipole Moments
mu_x(Debye)
0.18438 mu_y
(Debye)
0.13618 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.30400
Diff mu Y
(Debye)
0.46500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02923
0.07719
0.00000
2
0.03071
0.04770
0.00000
3
0.01187
0.07210
0.00000
4
0.02721
-0.00630
0.00000
5
0.00134
-0.03150
0.00000
6
-0.00335
-0.01156
0.00000
7
-0.05734
-0.03966
0.00000
8
-0.01188
-0.01798
0.00000
9
-0.01700
0.01335
0.00000
10
-0.00176
0.02699
0.00000
11
0.03949
0.00340
0.00000
12
0.02852
0.00848
0.00000
13
-0.06396
-0.06182
0.00000
14
-0.04615
-0.07589
0.00000
15
-0.00441
-0.04043
0.00000
16
0.00171
0.03127
0.00000
17
0.05608
-0.03262
0.00000
18
-0.07217
-0.06824
0.00000
19
-0.01610
0.11032
0.00000
20
0.05738
0.00792
0.00000
21
-0.01736
-0.08256
0.00000
22
0.01291
0.06030
0.00000
23
-0.00242
0.05449
0.00000
24
-0.01433
0.04329
0.00000
25
0.01822
-0.02441
0.00000
26
-0.08226
-0.11844
0.00000
27
-0.00006
-0.12492
0.00000
28
0.07419
0.04329
0.00000
29
0.04830
0.12318
0.00000
30
-0.02629
-0.11367
0.00000
31
0.07809
0.04433
0.00000
32
0.03710
-0.05620
0.00000