%chk=000002150.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002150

0 1
 S    4.602400     -0.4065000      0.4041000    
 O   -3.907700       1.082200      0.3337000    
 O   -3.269200      -1.641500      0.2824000    
 O  -0.5653000       3.602700      -1.083600    
 O    5.509800     -2.6699999E-02 -0.6697000    
 O    5.045700     -0.3227000       1.788900    
 O  -0.2648000      -1.274100      0.1460000    
 N   -1.480500       2.495500      0.7377000    
 N   -1.055200      -3.456600      6.8999998E-02
 N    4.028700      -1.988400      0.1071000    
 N   0.6608000      -1.525200      -2.421600    
 C   -2.759000       3.153700      0.7134000    
 C   -3.754200       2.407000     -0.1560000    
 C   -4.443500      0.2178000     -0.6608000    
 C   -4.561600      -1.181600     -8.8500001E-02
 C   0.7793000       1.993700     -3.4100000E-02
 C   -3.321700      -2.944900      0.8477000    
 C    3.131300      0.5182000      0.2356000    
 C   -1.919900      -3.387500       1.225300    
 C  -0.4737000       2.779000     -0.1772000    
 C    1.143900       1.484000       1.212100    
 C    1.591000       1.765800      -1.145300    
 C    2.319800      0.7462000       1.347000    
 C    2.767000       1.028100      -1.010600    
 C  -0.2942000      -2.385900     -0.3772000    
 C   0.4910000      -2.732300      -1.625500    
 H   -2.638500       4.182000      0.3574000    
 H   -3.111900       3.181900       1.749700    
 H   -3.391200       2.394000      -1.191300    
 H   -4.727700       2.908600     -0.1357000    
 H   -3.766300      0.2015000      -1.522900    
 H   -5.427600      0.5814000     -0.9762000    
 H   -4.996300      -1.854700     -0.8356000    
 H   -5.202000      -1.163600      0.8010000    
 H   -3.752200      -3.641300      0.1181000    
 H   -3.954600      -2.933200       1.742400    
 H   -1.365700       1.751300       1.417300    
 H   -1.482500      -2.683800       1.941900    
 H   -1.942400      -4.382700       1.679700    
 H   0.5561000       1.662300       2.107500    
 H    1.320400       2.148700      -2.125900    
 H    2.584200      0.3578000       2.326500    
 H    3.379500      0.8554000      -1.890900    
 H   -1.016700      -4.338300     -0.4338000    
 H  -2.6799999E-02  -3.494300      -2.216400    
 H    1.465500      -3.124700      -1.320000    
 H    3.980700      -2.636100      0.9030000    
 H    4.297500      -2.435500     -0.7778000    
 H    1.198500      -1.746100      -3.258800    
 H  -0.2482000      -1.198800      -2.747800    


%chk=000002150-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002150

0 1
S 5.822529 0.457471 -0.199434
O -3.983406 0.306050 -0.129399
O -5.146277 -2.614837 -0.192866
O -0.331164 3.450323 -0.572024
O 6.731292 1.766500 -0.535839
O 6.081630 -0.511437 1.085206
O -0.746011 -1.277833 1.121444
N -1.063863 1.514381 0.485291
N -2.377627 -2.883878 0.757500
N 5.904405 -0.618113 -1.694002
N 0.709803 -2.435582 -1.195884
C -2.429395 2.048779 0.584333
C -3.379538 1.590775 -0.533298
C -4.790514 -0.307794 -1.188795
C -5.755111 -1.336392 -0.591074
C 1.344514 1.773252 -0.079540
C -4.799976 -2.757766 1.227103
C 4.015707 0.989348 -0.161259
C -3.406873 -2.214338 1.574882
C -0.076123 2.299625 -0.076205
C 1.768376 0.623680 0.639136
C 2.291255 2.528100 -0.820826
C 3.123171 0.222857 0.602747
C 3.645364 2.140461 -0.873721
C -1.123067 -2.370831 0.574358
C -0.165019 -3.207641 -0.314090
H -2.345617 3.148318 0.542902
H -2.869100 1.759230 1.556303
H -2.824988 1.484737 -1.488015
H -4.191443 2.337142 -0.675460
H -4.135585 -0.785847 -1.947617
H -5.402677 0.472192 -1.697007
H -6.491609 -1.607397 -1.370766
H -6.292470 -0.879093 0.265954
H -4.855094 -3.847441 1.413785
H -5.552935 -2.257382 1.870624
H -0.897226 0.541202 0.791096
H -3.359680 -1.130605 1.377387
H -3.207140 -2.385580 2.652393
H 1.061337 0.029839 1.225524
H 1.935028 3.425102 -1.336865
H 3.484019 -0.638114 1.174987
H 4.391793 2.721364 -1.424121
H -2.665609 -3.691507 0.199715
H -0.747609 -3.929683 -0.919136
H 0.466791 -3.809717 0.367295
H 6.152576 -1.573858 -1.388410
H 6.594698 -0.205367 -2.343344
H 1.399526 -1.856832 -0.707452
H 0.220931 -1.904062 -1.922218


