%chk=000236648.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236648

0 1
S 0.584999 0.718037 0.528891
O 1.142370 1.439367 -0.608008
O 0.666433 1.327059 1.846672
N 1.348948 -0.832160 0.683261
N -4.998059 -0.721192 -0.777290
C 2.522110 -0.857171 1.603388
C 1.638523 -1.529696 -0.601579
C 3.810803 -0.321670 0.955072
C 2.895124 -0.988236 -1.305155
C 4.107659 -1.043257 -0.366808
C -1.038637 0.299629 0.156206
C -1.828982 -0.381309 1.092454
C -1.586616 0.662742 -1.082905
C -3.148803 -0.707281 0.806078
C -2.902118 0.351265 -1.398049
C -3.695592 -0.344384 -0.450324
H 2.668374 -1.911271 1.929818
H 2.273888 -0.271445 2.520373
H 0.752773 -1.456241 -1.268124
H 1.766990 -2.612423 -0.371468
H 4.657564 -0.438634 1.655387
H 3.719686 0.768742 0.772399
H 2.717532 0.064108 -1.626111
H 3.092352 -1.561695 -2.227088
H 4.983748 -0.579800 -0.858433
H 4.385407 -2.095737 -0.168156
H -1.405960 -0.658307 2.064760
H -0.966972 1.204988 -1.810409
H -3.751012 -1.239167 1.536045
H -3.315600 0.633687 -2.361247
H -5.449977 -0.302770 -1.572837
H -5.619954 -1.035176 -0.051414


%chk=000236648-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236648

0 1
S 0.609722 0.809453 0.612335
O 1.158452 1.722975 -0.638502
O 0.669389 1.398476 2.132441
N 1.421598 -0.918783 0.757656
N -5.092134 -0.680078 -0.802491
C 2.636113 -0.848011 1.625381
C 1.659942 -1.520012 -0.590499
C 3.910771 -0.331902 0.916199
C 2.928102 -1.017729 -1.322660
C 4.164705 -1.107533 -0.397879
C -1.132808 0.308244 0.172809
C -1.914158 -0.372018 1.125567
C -1.631172 0.680980 -1.088451
C -3.238970 -0.704114 0.795306
C -2.957737 0.348622 -1.414982
C -3.780652 -0.350742 -0.480148
H 2.788513 -1.886855 1.985343
H 2.376657 -0.224797 2.499763
H 0.752670 -1.364864 -1.203245
H 1.737818 -2.611130 -0.401078
H 4.771306 -0.433624 1.605115
H 3.792305 0.747008 0.696358
H 2.771601 0.030931 -1.636377
H 3.077887 -1.625509 -2.236078
H 5.056866 -0.705967 -0.913415
H 4.379537 -2.171753 -0.162879
H -1.495117 -0.631631 2.102370
H -0.988848 1.232425 -1.783326
H -3.863816 -1.235590 1.522491
H -3.364926 0.632333 -2.392452
H -5.488759 -0.423701 -1.702088
H -5.687855 -1.164501 -0.137185


