%chk=000037323.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037323

0 1
 S   0.3286000      -1.771400      0.8825000    
 O   -3.054800       2.332900      -1.568200    
 O   -3.307500       3.599700      0.4662000    
 O   -2.013200      -4.336200       2.115200    
 O   -3.138300      -2.373900       1.943400    
 N   -3.046600      -3.186400     -0.8845000    
 C   0.9267000     -4.4300001E-02  0.1269000    
 C  -0.1914000      0.9359000      0.2518000    
 C    2.231000      0.3236000      0.9544000    
 C    1.331100     -0.3987000      -1.367300    
 C   -1.082000       1.111000     -0.8102000    
 C   -1.078800      -1.881000     -0.2198000    
 C  -0.3388000       1.675200       1.438600    
 C   -2.099600       2.028600     -0.6478000    
 C    3.245500      0.8811000      0.2609000    
 C    1.614500      -1.693000      -1.622300    
 C    2.203900      4.5299999E-02   2.274400    
 C    1.353300      0.6271000      -2.243500    
 C   -2.243800       2.752100      0.5138000    
 C   -1.895600      -3.152100      2.0099999E-02
 C   -1.378300       2.598000       1.577200    
 C    4.391200       1.204600      0.9878000    
 C    1.969500      -2.004500      -2.934700    
 C    3.349800      0.3691000       3.001300    
 C    1.708200      0.3155000      -3.556000    
 C   -3.816900       3.328400     -0.8554000    
 C    4.443300      0.9487000       2.357800    
 C    2.016300      -1.000300      -3.901500    
 C   -2.426900      -3.234900       1.438900    
 H   -1.070200      0.5403000      -1.730200    
 H  -0.8307000      -1.839700      -1.281000    
 H   -1.765300      -1.066500      1.5300000E-02
 H   0.3134000       1.580100       2.294900    
 H    3.261600       1.128200     -0.7879000    
 H    1.716000      -2.518500     -0.9343000    
 H    1.371600     -0.3684000       2.828600    
 H    1.172300       1.665600      -1.992000    
 H   -1.280900      -4.037600     -0.1815000    
 H   -1.497000       3.169800       2.490700    
 H    5.241000       1.661700      0.4890000    
 H    2.234000      -3.024100      -3.200400    
 H    3.387900      0.1784000       4.069900    
 H    1.758300       1.099500      -4.306000    
 H   -3.805800       4.259400      -1.433700    
 H   -4.852800       2.981000     -0.7677000    
 H    5.334000       1.203900       2.924300    
 H    2.301200      -1.241300      -4.921500    
 H   -3.610600      -2.346000     -0.7593000    
 H   -2.721200      -3.160300      -1.850400    
 H   -2.359000      -4.353400       3.033000    


%chk=000037323-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037323

0 1
S 0.023294 -1.592648 0.933229
O -3.341030 2.482119 -1.340822
O -3.122886 4.156942 0.362236
O -1.697748 -4.141091 2.288956
O -3.699288 -3.158240 1.637736
N -2.938316 -3.851526 -1.005795
C 0.863802 0.005832 0.091156
C -0.148601 1.162244 0.197716
C 2.130094 0.236058 0.953988
C 1.261988 -0.335619 -1.361070
C -1.261376 1.207855 -0.704408
C -1.380936 -2.012230 -0.266547
C -0.029051 2.170922 1.189093
C -2.192123 2.229064 -0.543365
C 3.333347 0.693734 0.356553
C 1.762864 -1.622632 -1.691800
C 2.111304 0.051620 2.363378
C 1.265805 0.662017 -2.371652
C -2.065438 3.216105 0.456609
C -1.909783 -3.465624 -0.032057
C -0.981286 3.216729 1.333523
C 4.480454 0.953263 1.139752
C 2.226056 -1.911514 -2.993146
C 3.259506 0.301473 3.145657
C 1.727859 0.375164 -3.676644
C -4.062321 3.572331 -0.632413
C 4.452002 0.756697 2.538198
C 2.206607 -0.914462 -3.996707
C -2.549915 -3.561642 1.353182
H -1.373663 0.481185 -1.511398
H -0.975995 -1.956398 -1.292603
H -2.205358 -1.290734 -0.140986
H 0.826693 2.158041 1.867489
H 3.381598 0.843021 -0.725932
H 1.784009 -2.393641 -0.913418
H 1.193398 -0.295096 2.850469
H 0.913081 1.671471 -2.137978
H -1.061062 -4.168688 -0.077052
H -0.865081 3.989314 2.097544
H 5.397237 1.304339 0.652708
H 2.606088 -2.913645 -3.222172
H 3.219621 0.141852 4.229037
H 1.717365 1.162982 -4.438347
H -4.342974 4.348908 -1.359737
H -4.930397 3.142482 -0.097161
H 5.344088 0.951251 3.143963
H 2.563157 -1.138291 -5.008351
H -3.851649 -3.416538 -0.845270
H -2.635423 -3.859669 -1.981709
H -2.131414 -4.132886 3.186168


