%chk=000237858.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237858

0 1
S -0.391698 -2.116875 -0.218993
O -1.133684 -3.037908 -1.064255
O 0.314275 -2.620636 0.929142
N 0.786510 -1.562735 -1.404765
N 1.662137 0.098775 0.020774
N -3.739322 2.540232 1.104032
N 3.662173 0.709838 -1.888390
C -1.353403 -0.774261 0.165668
C -2.479899 -0.466689 -0.617685
C -1.044070 0.027475 1.277982
C 1.741631 -0.579313 -1.173612
C -2.965766 1.426004 0.812293
C -3.287599 0.615986 -0.310552
C -1.836263 1.116822 1.612672
C 2.589123 1.067895 0.254808
C 2.757437 -0.255201 -2.132313
C 3.587764 1.368754 -0.706391
C 2.516527 1.796290 1.552520
H 0.856102 -2.071079 -2.297321
H -2.729001 -1.100383 -1.478896
H -0.166297 -0.217244 1.892716
H -4.153786 0.845215 -0.923537
H -1.587580 1.728661 2.473673
H 2.831930 -0.781132 -3.086456
H 4.336870 2.143172 -0.528008
H 2.414042 2.880272 1.398694
H 1.663883 1.468499 2.168570
H 3.426268 1.627565 2.149784
H -4.609051 2.699921 0.627144
H -3.604656 3.047780 1.960401


%chk=000237858-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237858

0 1
S -0.347282 -2.003008 -0.279511
O -1.138827 -3.066417 -1.227551
O 0.472541 -2.496086 1.027334
N 0.820870 -1.274461 -1.567196
N 1.859180 0.236319 -0.079424
N -4.242052 2.350558 1.264168
N 4.025571 0.527409 -1.890335
C -1.510274 -0.627487 0.174479
C -2.711629 -0.523078 -0.550273
C -1.183095 0.219166 1.248379
C 1.899282 -0.459388 -1.255250
C -3.336083 1.362508 0.902026
C -3.625769 0.478188 -0.182998
C -2.103873 1.214482 1.612884
C 2.905300 1.073816 0.202129
C 3.000013 -0.310884 -2.165518
C 3.982579 1.217043 -0.708235
C 2.853282 1.818226 1.514595
H 0.861158 -1.914070 -2.370338
H -2.928001 -1.223287 -1.363302
H -0.228795 0.099564 1.768535
H -4.570376 0.577585 -0.729584
H -1.875625 1.885069 2.449191
H 3.042354 -0.862622 -3.110837
H 4.827309 1.877479 -0.493645
H 3.727309 2.478403 1.638407
H 1.935146 2.430338 1.574009
H 2.826865 1.104400 2.357677
H -5.122397 2.459567 0.768537
H -4.050085 2.976367 2.041349


