%chk=000286894.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286894

0 1
S -0.383123 1.274092 -0.909399
O -1.220710 0.140639 0.046441
O -0.628753 2.571351 -0.345055
O -0.689915 0.977940 -2.276945
O 5.632059 -1.468881 -0.250421
O 5.645910 -0.169653 1.481934
N 5.127229 -0.639765 0.485286
C -3.297569 -1.017105 0.001205
C -2.603096 0.201460 0.145614
C -2.579496 -2.298426 -0.313262
C 1.214664 0.725245 -0.508389
C -4.688515 -0.989504 0.173232
C -3.247878 1.406092 0.448637
C 1.842701 -0.219485 -1.325048
C 1.853005 1.232371 0.626640
C -2.432740 -3.175017 0.930093
C -5.352723 0.204328 0.470409
C -4.635146 1.397100 0.607742
C 3.756579 -0.159489 0.135836
C 3.127084 -0.670898 -1.005720
C 3.137806 0.789551 0.958253
H -3.122221 -2.850260 -1.108397
H -1.574940 -2.076511 -0.733504
H -5.257044 -1.913808 0.070875
H -2.682184 2.334955 0.563494
H 1.337907 -0.605857 -2.220569
H 1.357387 1.981086 1.258477
H -1.869152 -2.655690 1.715573
H -1.902218 -4.104953 0.699317
H -3.407556 -3.443093 1.353512
H -6.434133 0.204366 0.594998
H -5.156154 2.325119 0.841022
H 3.638040 -1.411527 -1.632313
H 3.656496 1.173824 1.844631


%chk=000286894-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000286894

0 1
S -0.363136 0.747254 -1.275623
O -1.298858 -0.150693 0.328198
O -0.676077 2.345914 -1.248412
O -0.537627 -0.117261 -2.646447
O 5.902392 -1.253888 0.506460
O 5.794395 0.722377 1.641412
N 5.293579 -0.174961 0.862953
C -3.570787 -0.942192 -0.052326
C -2.657138 0.054696 0.440133
C -3.061025 -2.186033 -0.755541
C 1.378957 0.463474 -0.617587
C -4.947634 -0.735245 0.189599
C -3.127702 1.231457 1.095950
C 2.045749 -0.710683 -1.005723
C 1.929407 1.439322 0.230237
C -2.490406 -3.230225 0.244386
C -5.415802 0.422030 0.858567
C -4.505112 1.410711 1.310988
C 3.915258 0.049828 0.340955
C 3.350818 -0.920920 -0.514943
C 3.234622 1.227984 0.719086
H -3.887109 -2.642711 -1.331593
H -2.270076 -1.912664 -1.477406
H -5.666286 -1.484946 -0.161674
H -2.393019 1.972945 1.425693
H 1.566491 -1.424157 -1.682709
H 1.363648 2.341361 0.481660
H -1.636832 -2.803381 0.798806
H -2.141937 -4.129003 -0.295879
H -3.257034 -3.543311 0.975993
H -6.491192 0.557971 1.018707
H -4.872402 2.307737 1.819953
H 3.927983 -1.810557 -0.778750
H 3.725491 1.947369 1.379077


