%chk=000110186.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110186

0 1
 S  -0.6984000       1.390500      -1.736200    
 O    1.554300       2.854500     -0.2719000    
 O    2.186200      -2.623500     -0.4097000    
 N    4.115500      -1.030700      0.8770000    
 C   0.7454000      0.6905000     -0.9500000    
 C    1.690600       1.498400     -0.3173000    
 C    2.035600      -1.269400     -0.3723000    
 C    2.980300     -0.4612000      0.2602000    
 C   0.9184000     -0.6936000     -0.9773000    
 C    2.807900      0.9226000      0.2877000    
 C   -2.009500      0.6047000     -0.8201000    
 C   -4.062000     -0.6252000      0.6143000    
 C   -2.105600      0.7912000      0.5589000    
 C   -2.939600     -0.1968000      -1.481800    
 C    1.477100       3.453800       1.019300    
 C    1.157500      -3.406300      0.1920000    
 C   -3.131800      0.1763000       1.276200    
 C   -3.965900     -0.8117000     -0.7647000    
 C   -5.159300      -1.282400       1.380900    
 C   0.6459000       4.715700      0.9284000    
 C    1.757400      -4.697400      0.7065000    
 H   0.1965000      -1.331500      -1.482500    
 H    3.551700       1.550200      0.7732000    
 H   -1.396500       1.417000       1.095200    
 H   -2.880600     -0.3540000      -2.556000    
 H    1.016600       2.770600       1.743900    
 H    2.488800       3.700300       1.359200    
 H   0.6904000      -2.868100       1.026300    
 H   0.3914000      -3.626100     -0.5595000    
 H   -3.198000      0.3317000       2.349700    
 H   -4.685500      -1.432500      -1.291800    
 H    4.796000     -0.4387000       1.334500    
 H    4.244200      -2.033800      0.8634000    
 H   -5.451900      -2.230800      0.9176000    
 H   -4.844500      -1.510100       2.404900    
 H   -6.034700     -0.6266000       1.420700    
 H   0.5771000       5.209900       1.901500    
 H    1.082300       5.414300      0.2070000    
 H  -0.3655000       4.485600      0.5769000    
 H   0.9916000      -5.328900       1.165600    
 H    2.232200      -5.253800     -0.1083000    
 H    2.536800      -4.491400       1.447500    


%chk=000110186-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000110186

0 1
S -0.758173 0.116514 -1.876690
O 0.510151 2.189301 -0.072738
O 3.048925 -2.833097 0.360899
N 4.011138 -0.778076 1.767465
C 0.626023 -0.123335 -0.704482
C 1.159940 0.955041 0.051773
C 2.359167 -1.607847 0.200591
C 2.901671 -0.530321 0.968579
C 1.237118 -1.399010 -0.617235
C 2.287135 0.745114 0.886272
C -2.242567 0.174692 -0.776982
C -4.632892 0.263783 0.787242
C -2.197498 -0.112070 0.604807
C -3.479151 0.508006 -1.381524
C 1.028741 3.331788 0.700753
C 2.554138 -3.989716 -0.404818
C -3.383359 -0.066657 1.371188
C -4.656658 0.545072 -0.603672
C -5.898351 0.340504 1.625401
C 0.132800 4.523237 0.371557
C 3.456976 -5.173576 -0.068400
H 0.805800 -2.213707 -1.204891
H 2.703858 1.567106 1.476311
H -1.244978 -0.374497 1.077472
H -3.524346 0.736852 -2.452729
H 0.996511 3.091873 1.784289
H 2.082847 3.527194 0.411927
H 1.500707 -4.192571 -0.121129
H 2.587043 -3.751908 -1.488111
H -3.333612 -0.295950 2.443332
H -5.607924 0.800421 -1.087452
H 4.435106 -0.045376 2.326547
H 4.403032 -1.716109 1.776961
H -6.791267 0.059464 1.038626
H -5.843723 -0.328606 2.502607
H -6.066772 1.367305 2.006049
H 0.468421 5.417779 0.927617
H 0.165648 4.745559 -0.708391
H -0.913191 4.306863 0.647038
H 3.122994 -6.071980 -0.618423
H 4.502422 -4.960866 -0.350882
H 3.424551 -5.394896 1.012344


