%chk=000232742.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232742

0 1
S 2.545818 0.594575 0.888570
O -3.940697 0.977835 -0.460518
O -3.793662 -1.167100 -0.225676
N -3.312113 -0.046307 -0.246130
N 4.856888 -0.111415 -0.147889
N 2.968032 -1.600833 -0.580253
C 0.851516 0.323951 0.480633
C -1.858521 0.082367 0.008418
C 0.097487 1.478139 0.231366
C 0.271648 -0.945289 0.497130
C -1.272278 1.358647 -0.002268
C -1.098716 -1.070780 0.251667
C 3.516951 -0.540167 -0.114286
H 0.566118 2.464659 0.212589
H 0.878350 -1.840384 0.680886
H -1.890757 2.241363 -0.198132
H -1.580556 -2.054988 0.250639
H 5.076383 0.854396 0.056575
H 5.464799 -0.514485 -0.847769
H 3.485810 -2.269282 -1.141452


%chk=000232742-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232742

0 1
S 2.609022 0.801078 0.684360
O -4.108782 0.999304 -0.211139
O -3.824426 -1.261302 -0.342767
N -3.367411 -0.060679 -0.197409
N 4.855587 -0.137115 -0.382324
N 3.118505 -1.820508 -0.091902
C 0.840114 0.436530 0.357704
C -1.911561 0.112022 -0.004506
C -0.007093 1.576398 0.331216
C 0.308235 -0.867736 0.210543
C -1.392428 1.417154 0.154736
C -1.077628 -1.027865 0.017710
C 3.595904 -0.612895 -0.035899
H 0.416283 2.580514 0.438773
H 0.987863 -1.724996 0.234355
H -2.069335 2.274694 0.128581
H -1.520605 -2.019862 -0.103887
H 5.038766 0.862319 -0.459418
H 5.611462 -0.789195 -0.585987
H 3.730029 -2.522956 -0.548639


