%chk=000112289.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112289

0 1
 S    3.054100       1.267500      -1.106900    
 O    1.915900      -3.932700     -8.6900003E-02
 O  -0.5432000       1.726100      -1.638400    
 O   -2.842700      -2.373000      0.9020000    
 O    4.071700      0.2817000     -0.7941000    
 O    3.417500       2.476800      -1.820200    
 N    1.744800      0.4832000      -1.901400    
 N  -0.6981000      -3.832600      0.7774000    
 C  -0.2762000     -0.4721000     -0.7959000    
 C  -0.8767000      -1.544100     -0.1324000    
 C    1.055600     -0.5687000      -1.216400    
 C   -2.440800      0.8555000     -0.6093000    
 C   -3.041100     -0.2165000      5.4499999E-02
 C   -1.036500      0.7668000      -1.058900    
 C  -0.1453000      -2.713100      0.1100000    
 C   -2.280900      -1.455500      0.3173000    
 C    1.780900      -1.735300     -0.9726000    
 C    1.181700      -2.805300     -0.3109000    
 C   -3.172300       2.024200     -0.8524000    
 C   -4.373000     -0.1198000      0.4752000    
 C    2.315800       1.747300      0.4285000    
 C   -4.499300       2.116300     -0.4315000    
 C   -5.098400       1.046600      0.2308000    
 C    2.368700      0.8770000       1.502300    
 C    1.701000       2.982600      0.5234000    
 C    1.786400       1.254700       2.712200    
 C    1.118800       3.360300       1.733400    
 C    2.650100      -3.994200       1.133300    
 C    1.161600       2.496300       2.827800    
 H    2.805800      -1.841800      -1.318300    
 H    1.156000       1.076900      -2.498900    
 H   -2.730100       2.873600      -1.366100    
 H   -4.865300     -0.9381000      0.9937000    
 H   -5.066300       3.023400     -0.6203000    
 H   -6.131600       1.121000      0.5573000    
 H  -0.1385000      -4.665400      0.9056000    
 H   -1.654900      -3.825500       1.100000    
 H    2.850500     -9.3300000E-02   1.436800    
 H    1.650900       3.664200     -0.3199000    
 H    1.819100      0.5818000       3.564100    
 H   0.6298000       4.325900       1.822900    
 H    3.140800      -4.969600       1.189200    
 H    1.986000      -3.887100       1.996700    
 H    3.418400      -3.214700       1.154600    
 H   0.7073000       2.790000       3.769500    


%chk=000112289-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112289

0 1
S 3.008006 0.624602 0.417854
O 1.250911 -4.468033 -0.384529
O -0.977406 1.579349 0.289089
O -3.626438 -3.157179 -0.887358
O 3.683546 -0.481321 1.412159
O 3.573400 0.752025 -1.101977
N 1.193742 0.395850 0.410772
N -1.374940 -4.466844 -0.774189
C -0.849798 -0.805385 -0.091632
C -1.532498 -2.044989 -0.393195
C 0.575617 -0.810350 0.114403
C -3.037888 0.442950 -0.230776
C -3.718720 -0.775930 -0.526487
C -1.578772 0.448291 0.002327
C -0.792562 -3.263383 -0.490406
C -2.981654 -2.064328 -0.614585
C 1.308694 -2.037504 0.024558
C 0.644138 -3.220391 -0.273062
C -3.768716 1.657398 -0.154699
C -5.120749 -0.759586 -0.741021
C 3.058194 2.322347 1.237244
C -5.158638 1.662130 -0.371215
C -5.837253 0.449120 -0.665120
C 3.099174 2.374470 2.639333
C 3.096418 3.447013 0.398564
C 3.166387 3.653873 3.237961
C 3.161459 4.716433 1.019438
C 2.708029 -4.544616 -0.187571
C 3.192187 4.816121 2.430428
H 2.382623 -2.027743 0.226030
H 0.499527 1.230194 0.432810
H -3.219956 2.575557 0.074978
H -5.615474 -1.709522 -0.965015
H -5.719212 2.601377 -0.313088
H -6.919724 0.455797 -0.832696
H -0.791438 -5.299903 -0.829772
H -2.400037 -4.450002 -0.919402
H 3.095937 1.455250 3.233566
H 3.093092 3.331849 -0.690182
H 3.198726 3.740077 4.328777
H 3.189570 5.619945 0.402065
H 2.959806 -5.605859 -0.321624
H 2.982287 -4.212151 0.830121
H 3.234753 -3.928641 -0.938999
H 3.243652 5.802940 2.902923


