%chk=000207823.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207823

0 1
S -2.146799 0.787098 0.113185
O -3.375351 0.055348 -0.106653
O -1.933869 2.051483 -0.546248
N -0.886551 -0.301298 -0.344423
C 0.491670 -0.003579 -0.181459
C -1.259140 -1.658186 -0.848092
C 1.419136 -1.065653 0.017104
C -0.319270 -2.729195 -0.371566
C 0.932257 -2.446324 0.015026
C 0.942848 1.330348 -0.180196
C -1.887448 0.996418 1.823287
C 2.772146 -0.763730 0.214936
C 2.295889 1.599594 0.023314
C 3.211839 0.561614 0.225369
H -1.253066 -1.637732 -1.967478
H -2.309709 -1.887296 -0.538152
H -0.718502 -3.740229 -0.385378
H 1.627744 -3.217297 0.344075
H 0.258231 2.158709 -0.391551
H -2.085321 0.086838 2.410348
H -0.860982 1.301882 2.082233
H -2.536122 1.772909 2.258277
H 3.487818 -1.572540 0.362691
H 2.641867 2.633796 0.014507
H 4.264085 0.785422 0.381341


%chk=000207823-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207823

0 1
S -2.206222 0.761263 0.270439
O -3.518714 -0.225437 0.176957
O -2.327408 2.346492 -0.092779
N -0.747656 -0.171959 -1.082608
C 0.544004 0.058073 -0.565495
C -1.210251 -1.576740 -1.188647
C 1.321636 -0.982258 0.062094
C -0.498696 -2.589601 -0.325953
C 0.712195 -2.300011 0.240704
C 1.079649 1.375601 -0.678827
C -1.575794 0.672820 2.092118
C 2.631198 -0.678983 0.516244
C 2.373985 1.652565 -0.205406
C 3.156203 0.622216 0.385937
H -1.120621 -1.847467 -2.264345
H -2.308523 -1.576303 -0.986834
H -0.976765 -3.565718 -0.182488
H 1.246317 -3.044117 0.843330
H 0.463546 2.147433 -1.151106
H -1.431560 -0.392446 2.317521
H -0.642655 1.250346 2.132704
H -2.376095 1.128292 2.692177
H 3.231207 -1.470052 0.982456
H 2.785464 2.662590 -0.304247
H 4.168956 0.841799 0.740549


