%chk=000264053.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000264053

0 1
S -2.203243 1.085827 0.000526
O -4.868222 0.829469 0.002205
N -0.074579 -0.524205 -0.000289
C 2.249786 0.298221 -0.000012
C 1.755521 1.653809 0.000641
C 1.299282 -0.763782 -0.000456
C 0.394782 1.871609 0.000798
C -0.477732 0.742110 0.000303
C 3.637386 -0.036391 -0.000236
C 2.707798 2.801900 0.001139
C 1.742853 -2.126014 -0.001106
C 4.043933 -1.348806 -0.000861
C 3.086124 -2.403821 -0.001299
C -2.953889 -0.563145 -0.000193
C -4.435193 -0.299523 0.002779
C -5.312461 -1.516171 0.006611
H -0.021865 2.877546 0.001285
H 4.373703 0.766729 0.000096
H 3.358051 2.784431 -0.886609
H 2.198062 3.776075 0.001658
H 3.358185 2.783555 0.888771
H 0.989599 -2.914156 -0.001438
H 5.102171 -1.604038 -0.001032
H 3.441931 -3.434105 -0.001789
H -2.623229 -1.153118 -0.879713
H -2.619898 -1.155593 0.876405
H -6.377474 -1.235273 0.002628
H -5.140569 -2.149783 -0.873378
H -5.145010 -2.140056 0.894462


%chk=000264053-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000264053

0 1
S -2.262517 1.324592 0.000822
O -5.162359 0.722702 0.000759
N -0.132220 -0.427037 -0.000370
C 2.247044 0.311044 -0.000045
C 1.815740 1.695685 0.000638
C 1.229333 -0.719279 -0.000542
C 0.445170 1.954091 0.000806
C -0.489980 0.862961 0.000310
C 3.622487 -0.081425 -0.000237
C 2.819873 2.829379 0.001178
C 1.621168 -2.093810 -0.001224
C 3.982754 -1.433931 -0.000889
C 2.974842 -2.446176 -0.001389
C -2.994982 -0.408979 -0.000202
C -4.518914 -0.357526 0.003318
C -5.213100 -1.716556 0.006985
H 0.072351 2.983577 0.001325
H 4.403159 0.686750 0.000145
H 3.475720 2.786567 -0.888677
H 2.312050 3.807671 0.001648
H 3.475720 2.785717 0.890992
H 0.828959 -2.848850 -0.001603
H 5.040006 -1.720691 -0.001018
H 3.266617 -3.502256 -0.001903
H -2.617986 -0.951214 -0.885424
H -2.613659 -0.954282 0.881224
H -6.304608 -1.575736 -0.000207
H -4.912952 -2.310734 -0.876571
H -4.923911 -2.298954 0.902048


