%chk=000289887.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289887

0 1
S -2.680288 1.585426 -1.245960
O -3.201889 1.585840 -2.602241
O -2.778592 2.792053 -0.462914
N -0.286472 1.076701 -0.364844
N -1.002393 1.205394 -1.525159
C 3.744042 -0.013013 -0.130428
C 4.868595 -1.100231 -0.141776
C 2.698037 -0.260685 0.975732
C 3.018945 0.094841 -1.487786
C 1.654170 0.863446 1.023357
C 1.980736 1.226559 -1.479556
C 4.299250 -2.502470 -0.419788
C 5.907791 -0.751098 -1.228069
C 5.587641 -1.107171 1.223762
C 1.015311 1.060447 -0.332327
C -3.299201 0.244406 -0.373141
C -3.029735 0.103470 0.992445
C -4.083127 -0.712189 -1.032091
C -3.545237 -0.983448 1.701345
C -4.600751 -1.798522 -0.330545
C -4.334198 -1.941430 1.044469
C -4.895491 -3.106284 1.789043
H 4.239451 0.967954 0.075880
H 3.193031 -0.343165 1.961827
H 2.190086 -1.229960 0.804226
H 2.518196 -0.864356 -1.724780
H 3.748550 0.271033 -2.300742
H 2.124231 1.818781 1.336033
H 0.890442 0.636829 1.796039
H 1.461468 1.255754 -2.457053
H 2.487762 2.209499 -1.379823
H 5.090702 -3.259033 -0.422733
H 3.568018 -2.798953 0.339117
H 3.799927 -2.550192 -1.392849
H 6.333669 0.244984 -1.073564
H 6.738524 -1.464408 -1.224126
H 5.469953 -0.772507 -2.231359
H 4.912355 -1.392825 2.036903
H 6.418578 -1.820168 1.229423
H 6.001163 -0.123606 1.466789
H -0.535612 1.449565 -2.410342
H -2.411458 0.846443 1.509994
H -4.293807 -0.602100 -2.103237
H -3.332945 -1.084515 2.763554
H -5.211820 -2.536933 -0.845441
H -4.596131 -4.059987 1.329144
H -5.996147 -3.082851 1.791424
H -4.573929 -3.141430 2.838564


%chk=000289887-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289887

0 1
S -2.744325 1.735345 -0.982857
O -3.348975 1.961600 -2.478728
O -2.724970 2.927305 0.124303
N -0.184991 1.053794 -0.231582
N -0.956459 1.073846 -1.385001
C 3.900988 -0.045047 -0.210793
C 5.091192 -1.082168 -0.199377
C 2.954719 -0.155331 1.015612
C 3.046176 -0.093183 -1.506497
C 1.887690 0.973922 1.019995
C 1.976534 1.037735 -1.551352
C 4.590828 -2.549783 -0.287790
C 6.043473 -0.801812 -1.397301
C 5.919440 -0.913019 1.106810
C 1.130484 1.037370 -0.289132
C -3.522175 0.222116 -0.198187
C -3.552521 0.147829 1.201590
C -4.070036 -0.757510 -1.042466
C -4.168905 -0.983510 1.782963
C -4.680446 -1.874765 -0.435690
C -4.736405 -2.005793 0.979302
C -5.404219 -3.214007 1.610452
H 4.377225 0.962628 -0.167478
H 3.526685 -0.097694 1.958976
H 2.439637 -1.136202 1.003643
H 2.528941 -1.070228 -1.573686
H 3.685112 0.001215 -2.402878
H 2.405554 1.944575 1.176888
H 1.168980 0.846011 1.847324
H 1.357860 0.916547 -2.460215
H 2.498136 2.014831 -1.630867
H 5.449131 -3.246771 -0.249345
H 3.918933 -2.804080 0.552022
H 4.049060 -2.743342 -1.231376
H 6.377075 0.253889 -1.403171
H 6.944623 -1.439361 -1.326193
H 5.566521 -1.016346 -2.370272
H 5.358276 -1.237467 2.001119
H 6.840293 -1.523970 1.056765
H 6.222002 0.141641 1.254961
H -0.651972 1.690842 -2.172526
H -3.123127 0.951534 1.807380
H -4.034254 -0.637223 -2.129819
H -4.208139 -1.070212 2.874589
H -5.121483 -2.654300 -1.067925
H -4.948522 -4.155619 1.252309
H -6.478886 -3.254719 1.351707
H -5.323357 -3.195219 2.710189


