%chk=000215571.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215571

0 1
S -2.079392 1.765369 0.040207
O 0.783170 0.055219 -0.264514
O 1.230148 2.203382 0.299671
N 4.284321 -0.888510 0.550958
C 3.213424 -0.141533 -0.182805
C 1.896409 -0.428891 0.549691
C 4.863084 -0.051015 1.643565
C 5.357735 -1.337130 -0.384436
C -0.686987 1.663085 -1.111569
C 0.529118 1.410716 -0.278751
C -2.879837 0.201876 -0.094113
C -2.168923 -0.998796 -0.089926
C -4.277067 0.221907 -0.135281
C -2.873919 -2.206121 -0.131591
C -4.972626 -0.991311 -0.164975
C -4.272658 -2.202981 -0.166181
H 3.132325 -0.497965 -1.231989
H 3.384668 0.956317 -0.239852
H 1.845427 0.044715 1.543975
H 1.670709 -1.508621 0.617233
H 4.057513 0.271444 2.322846
H 5.401251 0.846588 1.304763
H 5.557453 -0.670006 2.234210
H 6.106605 -1.913686 0.183097
H 5.878775 -0.528065 -0.916462
H 4.921966 -2.023163 -1.128605
H -0.837412 0.887396 -1.890308
H -0.603029 2.637924 -1.641104
H -1.074666 -1.005222 -0.051479
H -4.825115 1.164694 -0.145454
H -2.330659 -3.150001 -0.131774
H -6.061228 -0.990899 -0.191437
H -4.817884 -3.145214 -0.193709


%chk=000215571-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215571

0 1
S -2.232410 1.796356 0.309520
O 0.808816 0.116257 -0.010626
O 1.302269 2.351929 0.456998
N 4.424455 -0.830341 0.603665
C 3.239965 -0.383903 -0.161999
C 2.012090 -0.314558 0.765482
C 5.073933 0.259944 1.362872
C 5.393671 -1.597706 -0.203846
C -0.711102 1.785113 -0.838492
C 0.563040 1.491940 -0.072089
C -3.027752 0.170279 -0.055094
C -2.292317 -1.007026 -0.329376
C -4.442928 0.134986 0.001898
C -2.984824 -2.217318 -0.564989
C -5.121854 -1.085703 -0.211791
C -4.396751 -2.264878 -0.502615
H 3.034285 -1.118746 -0.961217
H 3.391639 0.608676 -0.651021
H 2.166635 0.393960 1.596681
H 1.757097 -1.312097 1.152488
H 4.334679 0.790580 1.986256
H 5.567503 1.015820 0.701807
H 5.841077 -0.163803 2.035206
H 6.188958 -1.992181 0.454223
H 5.884092 -0.992658 -1.007643
H 4.889640 -2.457834 -0.678890
H -0.895717 1.048852 -1.634227
H -0.654849 2.802256 -1.252436
H -1.197675 -0.986717 -0.340516
H -5.006928 1.053263 0.198772
H -2.413854 -3.127313 -0.781777
H -6.216318 -1.108088 -0.165285
H -4.925866 -3.207841 -0.678039


