%chk=000277897.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277897

0 1
S 2.690271 -0.503434 0.837248
O 3.635382 -1.592752 0.962815
O 2.538506 0.405872 1.944271
N 0.177266 -0.499344 0.206292
N 1.194106 -1.353366 0.550077
C -2.112495 0.192407 -0.247381
C -1.076791 -0.851301 0.217154
C -3.049265 0.492882 0.936950
C -1.442395 1.501483 -0.700620
C -2.902886 -0.400175 -1.428695
C -1.592024 -2.190705 0.656449
C 2.971383 0.380316 -0.630300
H -3.789140 1.255227 0.670259
H -2.486913 0.871304 1.799171
H -3.599869 -0.393076 1.266926
H -2.185223 2.241158 -1.013370
H -0.761014 1.333928 -1.541626
H -0.849106 1.947593 0.108005
H -3.466477 -1.293859 -1.143263
H -2.235921 -0.679583 -2.251786
H -3.623466 0.325209 -1.821869
H -1.180436 -2.999598 0.035671
H -1.329298 -2.398029 1.703543
H -2.685734 -2.266436 0.587206
H 0.993906 -2.245520 1.024284
H 3.713085 1.184041 -0.510567
H 3.334563 -0.252144 -1.454615
H 2.061082 0.875198 -1.015328


%chk=000277897-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277897

0 1
S 2.764157 -0.440208 0.931978
O 3.788633 -1.633306 1.340691
O 2.479046 0.795760 1.949126
N 0.148507 -0.465100 0.105495
N 1.146151 -1.384849 0.407319
C -2.180573 0.208273 -0.245216
C -1.118709 -0.828303 0.155731
C -3.126651 0.447752 0.971719
C -1.529125 1.554185 -0.647826
C -3.008197 -0.337853 -1.448241
C -1.531141 -2.229173 0.577389
C 3.178561 0.274379 -0.777795
H -3.907374 1.179997 0.695198
H -2.564471 0.853289 1.832135
H -3.635539 -0.478500 1.295580
H -2.317993 2.285662 -0.904090
H -0.868599 1.430392 -1.523534
H -0.918717 1.964287 0.174485
H -3.520282 -1.287761 -1.208987
H -2.359452 -0.506524 -2.326994
H -3.783164 0.398609 -1.730141
H -1.071637 -2.987656 -0.085999
H -1.191975 -2.454839 1.610610
H -2.621921 -2.364124 0.554011
H 0.970891 -2.068930 1.179360
H 4.057244 0.916239 -0.627947
H 3.379229 -0.588820 -1.424849
H 2.284197 0.834418 -1.082307


