%chk=000135934.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135934

0 1
 S    2.001400      -1.588800      -1.524900    
 O  -0.7718000       3.410100     -0.6848000    
 O   0.6660000      -2.148000      -1.478600    
 O    3.040600      -2.142600      -2.368500    
 N   -3.025800      -1.651400     -0.5079000    
 N    2.405300       2.016100     -0.4267000    
 N    1.941000      5.2700002E-02  -1.676100    
 C   -2.854300      -2.080600      0.8798000    
 C   -3.670100      -2.780700      -1.177700    
 C   -2.388200      -3.521900      0.7362000    
 C   -2.921300      -3.980900     -0.6175000    
 C   -3.800500     -0.4243000     -0.6183000    
 C   -3.142600      0.7264000      6.4999998E-02
 C   -2.253900       1.539800     -0.6381000    
 C   -3.416200      0.9894000       1.407200    
 C   -1.645000       2.610800      5.7000001E-03
 C    1.474100       4.226900     -0.8484000    
 C    1.996200       2.928100      -1.451600    
 C    2.759300     -0.2485000      0.5039000    
 C    2.347700      0.6592000     -0.5884000    
 C    2.610200      -1.565000      0.1001000    
 C   -2.801100       2.065900       2.046300    
 C   0.2726000       4.016200      6.5300003E-02
 C   -1.912400       2.879300       1.343200    
 C    3.233600      4.5000002E-02   1.768300    
 C    2.912300      -2.644200      0.8991000    
 C    3.551300      -1.028600       2.609100    
 C    3.391800      -2.360500       2.178100    
 H   -3.799100      -2.060100       1.438000    
 H   -2.103100      -1.497800       1.422000    
 H   -3.579200      -2.721700      -2.266800    
 H   -4.734200      -2.855000     -0.9188000    
 H   -1.293300      -3.580600      0.7419000    
 H   -2.762100      -4.148200       1.552500    
 H   -3.575000      -4.853600     -0.5216000    
 H   -2.084900      -4.257100      -1.270400    
 H   -4.816700     -0.5539000     -0.2196000    
 H   -3.936400     -0.1741000      -1.679200    
 H   -2.031800       1.340800      -1.683400    
 H   -4.114800      0.3736000       1.967000    
 H    1.188900       4.893900      -1.671100    
 H    2.270800       4.725900     -0.2839000    
 H    2.852400       3.148600      -2.099000    
 H    1.219300       2.492400      -2.090800    
 H   -3.021300       2.275700       3.088900    
 H  -7.2999999E-02   4.988800      0.4347000    
 H   0.5834000       3.403300      0.9206000    
 H   -1.478500       3.724000       1.869400    
 H    2.784400       2.414100      0.4277000    
 H    3.361100       1.063600       2.115600    
 H    2.786700      -3.665200      0.5601000    
 H    3.926500     -0.8333000       3.610400    
 H    3.646100      -3.174300       2.851900    


%chk=000135934-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000135934

0 1
S 2.331820 -2.189610 -0.902037
O -0.756162 2.770946 -0.637959
O 0.884813 -2.876276 -0.630637
O 3.385772 -2.961562 -1.859862
N -3.615454 -1.409867 -0.618851
N 2.558377 1.748595 -0.474448
N 2.133346 -0.356052 -1.431458
C -2.598248 -2.162051 0.174621
C -4.376210 -2.409385 -1.405823
C -2.313087 -3.457495 -0.646526
C -3.264330 -3.368148 -1.879136
C -4.415421 -0.439958 0.137854
C -3.601118 0.765596 0.606798
C -2.541760 1.252212 -0.187809
C -3.906965 1.416111 1.830956
C -1.793152 2.373008 0.234549
C 1.343143 3.815474 -1.191138
C 1.932209 2.455108 -1.609881
C 3.201007 -0.286803 0.800412
C 2.613651 0.382120 -0.413779
C 3.154537 -1.688093 0.746876
C -3.158411 2.538641 2.242772
C 0.244737 3.709366 -0.124169
C -2.091285 3.028881 1.454294
C 3.763658 0.319485 1.946152
C 3.629220 -2.534147 1.749829
C 4.260867 -0.502680 2.984842
C 4.197336 -1.914300 2.892664
H -2.993337 -2.416576 1.189797
H -1.689902 -1.550675 0.314651
H -4.918615 -1.921407 -2.236958
H -5.126061 -2.965124 -0.783230
H -1.252883 -3.515988 -0.941252
H -2.546014 -4.352566 -0.041523
H -3.657966 -4.352430 -2.188520
H -2.734569 -2.919980 -2.737932
H -4.913960 -0.902870 1.031007
H -5.229707 -0.084279 -0.526935
H -2.286079 0.735431 -1.118343
H -4.720132 1.036533 2.461056
H 0.922167 4.285747 -2.098555
H 2.136102 4.495684 -0.816293
H 2.671252 2.594644 -2.424072
H 1.133383 1.801009 -1.996424
H -3.397259 3.037322 3.189278
H -0.209344 4.705758 0.055838
H 0.647921 3.328324 0.838452
H -1.521158 3.900072 1.791568
H 3.024336 2.296862 0.248959
H 3.821141 1.409076 2.051659
H 3.568252 -3.622756 1.662296
H 4.699043 -0.038785 3.874405
H 4.586898 -2.532440 3.707866


