%chk=000268545.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268545

0 1
S 4.055515 0.746883 -0.052341
O -2.077306 -2.069332 -0.223151
O -4.442885 0.414353 0.682345
N -3.097143 0.689812 1.050426
C -0.227007 -0.706515 0.347343
C -1.633138 -1.185238 0.475764
C -2.491477 -0.569224 1.586084
C 0.118088 0.640223 0.538803
C 0.763293 -1.636086 -0.006025
C 2.426267 0.105655 0.069538
C 1.444131 1.050437 0.399747
C 2.095640 -1.234895 -0.136305
C 5.104660 -0.627072 -0.561690
C -4.511943 0.090296 -0.735870
H -1.876616 -0.366193 2.485786
H -3.269427 -1.312281 1.886056
H -0.653030 1.375798 0.777807
H 0.483923 -2.677782 -0.184248
H 1.703871 2.100039 0.544003
H 2.849909 -1.972496 -0.401939
H -3.247987 1.351282 1.826709
H 5.129412 -1.431597 0.182137
H 6.126497 -0.232459 -0.666006
H 4.805562 -1.042968 -1.530970
H -4.008875 -0.865024 -0.928211
H -4.079676 0.892648 -1.338176
H -5.593656 0.010936 -0.886714


%chk=000268545-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268545

0 1
S 3.677294 0.910857 -0.575475
O -1.771355 -2.802325 1.399284
O -3.866180 -0.042337 -0.055368
N -3.156463 0.493691 1.160008
C -0.370544 -0.916588 0.879638
C -1.631684 -1.541352 1.381743
C -2.770192 -0.688346 1.976957
C -0.101863 0.481112 0.946178
C 0.632560 -1.773861 0.347499
C 2.121858 0.127349 -0.026983
C 1.129478 0.995527 0.503304
C 1.862572 -1.265658 -0.104722
C 4.685146 -0.548151 -1.192725
C -3.284010 0.585065 -1.251884
H -2.433596 -0.289758 2.958009
H -3.614786 -1.384422 2.154833
H -0.877642 1.159005 1.312344
H 0.421281 -2.847879 0.305707
H 1.322925 2.072543 0.561748
H 2.609382 -1.955274 -0.509361
H -3.904767 1.015239 1.657601
H 4.874422 -1.262732 -0.377054
H 5.638825 -0.116618 -1.532976
H 4.180578 -1.039761 -2.038689
H -2.201707 0.376466 -1.327531
H -3.451390 1.679457 -1.257556
H -3.823540 0.117949 -2.093628


