%chk=000211877.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211877

0 1
S -0.406886 0.563245 0.398832
O -0.848830 0.298069 1.754966
O -0.700570 1.842339 -0.224528
N -1.083272 -0.652134 -0.610460
C -2.261621 -1.417938 -0.107197
C -3.605363 -0.744892 -0.473472
C -2.198445 -2.832342 -0.701843
C 1.293300 0.265101 0.268184
C -3.800740 0.600988 0.213723
C 2.084495 1.099165 -0.528141
C 1.872599 -0.797773 0.966901
C 3.458369 0.864453 -0.633706
C 3.247211 -1.034284 0.862059
C 4.037774 -0.203619 0.060767
H -2.179969 -1.488925 1.013982
H -3.689683 -0.623701 -1.570169
H -4.431184 -1.427297 -0.188397
H -1.176037 -0.426640 -1.608592
H -1.222899 -3.295341 -0.506466
H -2.340699 -2.832926 -1.787546
H -2.966042 -3.478868 -0.264077
H -3.560036 0.554889 1.285407
H -3.167994 1.387795 -0.222730
H -4.837436 0.944442 0.128208
H 1.629750 1.942083 -1.062274
H 1.256986 -1.441802 1.602542
H 4.075973 1.513687 -1.252261
H 3.700271 -1.861453 1.406063
H 5.109777 -0.387221 -0.020976


%chk=000211877-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211877

0 1
S -0.418451 0.594400 0.453777
O -0.863594 0.147523 1.958669
O -0.680920 2.098673 -0.130904
N -1.159150 -0.665220 -0.737268
C -2.319951 -1.442303 -0.187474
C -3.699412 -0.784268 -0.456801
C -2.228372 -2.863455 -0.789578
C 1.430578 0.250063 0.286255
C -3.901123 0.591609 0.214741
C 2.163441 1.038898 -0.613713
C 1.991333 -0.754168 1.090858
C 3.551488 0.787896 -0.721731
C 3.380578 -0.987847 0.968964
C 4.153807 -0.224044 0.062143
H -2.157827 -1.499799 0.907947
H -3.845843 -0.700273 -1.555165
H -4.477576 -1.486053 -0.096350
H -1.417573 -0.090893 -1.565455
H -1.238397 -3.305539 -0.589067
H -2.380521 -2.839820 -1.884459
H -3.006964 -3.512635 -0.347958
H -3.735659 0.526682 1.305276
H -3.205197 1.356613 -0.177388
H -4.929166 0.958686 0.042641
H 1.670818 1.832743 -1.184307
H 1.370467 -1.311562 1.799216
H 4.157266 1.384665 -1.411426
H 3.855211 -1.760283 1.582882
H 5.229508 -0.411188 -0.025525


