%chk=000227929.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227929

0 1
S 2.592432 0.206255 -0.038374
O 2.431126 -0.311718 -1.623718
O -0.750451 -2.480590 0.154450
O 2.312551 1.610598 -0.025843
O 3.825169 -0.368454 0.402655
O -3.924083 0.811286 -0.287149
N 1.298935 -0.600827 0.722852
N -2.344071 -0.867284 -0.068242
N -1.767666 1.451644 0.199282
C -0.038089 -0.198050 0.426779
C -1.001935 -1.294333 0.169056
C -0.437163 1.108557 0.456033
C -2.777515 0.482202 -0.071213
H 1.375247 -1.616815 0.924927
H 0.263643 1.944324 0.649953
H -3.057231 -1.588555 -0.258612
H -2.047741 2.437295 0.193694
H 3.216044 -0.718834 -2.030631


%chk=000227929-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227929

0 1
S 2.797012 0.556193 -0.305293
O 2.942375 -0.741294 -1.572088
O -1.300963 -2.723409 0.507029
O 0.917287 0.860781 -0.600524
O 3.434668 1.902526 -0.897282
O -3.203817 1.267311 -0.977795
N 0.736245 -1.171156 1.876316
N -2.157347 -0.718534 -0.332359
N -1.210248 1.386954 0.238528
C -0.118989 -0.659571 1.040155
C -1.228920 -1.471267 0.387449
C 0.047807 0.792680 0.623700
C -2.239759 0.700513 -0.406728
H 0.562774 -2.192156 2.026042
H 0.514449 1.366361 1.443332
H -2.919620 -1.220007 -0.800720
H -1.249414 2.402881 0.128478
H 2.845661 -0.332106 -2.482339


