%chk=000048936.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048936

0 1
 S    2.605200      0.9035000       1.688800    
 O   0.9513000     -0.7407000      -1.086100    
 O    1.196700      -2.284800      0.6035000    
 N   -2.605300     -0.2842000     -0.2270000    
 C   -2.959300      -1.462600      0.5662000    
 C   -3.319000      0.8925000      0.2548000    
 C   -1.158900     -6.1600000E-02 -0.1877000    
 C   -4.300400      -2.029900      0.1042000    
 C   -3.351200       1.972700     -0.8249000    
 C   -4.679300      -3.275400      0.9063000    
 C   -4.114400       3.208800     -0.3474000    
 C  -0.4446000      -1.002900      -1.144300    
 C   -6.029900      -3.825700      0.4765000    
 C   -4.120600       4.302500      -1.403600    
 C    1.655900      -1.453400     -0.1643000    
 C    3.094400      -1.087700     -0.2032000    
 C    3.623800     -5.9099998E-02  0.5765000    
 C    3.924500      -1.813200      -1.057600    
 C    2.069100       2.257900      0.6082000    
 C    4.983500      0.2435000      0.5017000    
 C    1.167600       3.223600       1.369200    
 C    5.284200      -1.510300      -1.132300    
 C    5.813600     -0.4819000     -0.3529000    
 C   0.7130000       4.368200      0.4754000    
 H   -2.984900      -1.226300       1.638600    
 H   -2.218700      -2.262200      0.4526000    
 H   -4.360400      0.6593000      0.5027000    
 H   -2.867400       1.281500       1.177500    
 H  -0.7659000     -0.1658000      0.8329000    
 H  -0.8840000      0.9561000     -0.4863000    
 H   -5.103500      -1.292800      0.2095000    
 H   -4.244000      -2.288900     -0.9610000    
 H   -2.342600       2.284900      -1.114900    
 H   -3.833300       1.577000      -1.728300    
 H   -3.915900      -4.050800      0.7743000    
 H   -4.715400      -3.033400       1.974900    
 H   -5.148100       2.938000     -0.1030000    
 H   -3.655100       3.599100      0.5683000    
 H  -0.6475000      -2.063100     -0.9603000    
 H  -0.7646000     -0.8020000      -2.173500    
 H   -6.822400      -3.086400      0.6305000    
 H   -6.279200      -4.717000       1.060700    
 H   -6.020800      -4.104800     -0.5820000    
 H   -3.101600       4.622900      -1.643000    
 H   -4.674300       5.174800      -1.042400    
 H   -4.597700       3.954900      -2.325500    
 H    3.524300      -2.616900      -1.670300    
 H    2.954500       2.784800      0.2363000    
 H    1.537200       1.845200     -0.2543000    
 H    5.417000       1.041300       1.100000    
 H    1.697500       3.641200       2.233800    
 H   0.2810000       2.699800       1.747200    
 H    5.930600      -2.075100      -1.797700    
 H    6.872200     -0.2462000     -0.4115000    
 H   6.8499997E-02   5.053000       1.035300    
 H   0.1450000       3.993300     -0.3823000    
 H    1.569300       4.937400      9.9699996E-02


%chk=000048936-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048936

0 1
S 2.550550 1.589887 1.152069
O 0.992016 -0.390375 -0.655654
O 1.355931 -2.575486 0.064871
N -2.631606 -0.433775 0.424011
C -3.197030 -1.762895 0.768510
C -3.391242 0.724458 0.952611
C -1.166116 -0.328947 0.584913
C -4.421381 -2.139951 -0.093027
C -3.279184 1.975224 0.054250
C -5.036696 -3.500973 0.306680
C -4.004659 3.207151 0.641564
C -0.475387 -0.657867 -0.753948
C -6.256136 -3.881132 -0.560588
C -3.883483 4.454187 -0.260920
C 1.786338 -1.414175 -0.151319
C 3.218374 -1.003780 0.024243
C 3.668076 0.260392 0.509924
C 4.176094 -2.007788 -0.287894
C 2.142768 2.535256 -0.456968
C 5.059468 0.489197 0.645517
C 1.061679 3.587226 -0.157691
C 5.557306 -1.762407 -0.163926
C 6.002623 -0.504217 0.300739
C 0.695768 4.401370 -1.420270
H -3.474472 -1.820962 1.851690
H -2.406877 -2.521774 0.609395
H -4.456527 0.433403 1.019215
H -3.069514 0.987111 1.992634
H -0.777114 -1.005336 1.376925
H -0.885908 0.698897 0.878217
H -5.197557 -1.352168 -0.009784
H -4.110026 -2.159392 -1.155912
H -2.209726 2.228955 -0.101244
H -3.690323 1.729374 -0.944408
H -4.263100 -4.291814 0.225147
H -5.336744 -3.469515 1.374421
H -5.076088 2.964486 0.796208
H -3.589525 3.433846 1.645039
H -0.634685 -1.711277 -1.043510
H -0.828978 0.017755 -1.547216
H -7.056834 -3.122558 -0.472275
H -6.679514 -4.856693 -0.258581
H -5.976327 -3.949391 -1.628676
H -2.822349 4.734450 -0.407068
H -4.405691 5.324764 0.176715
H -4.319166 4.264339 -1.259874
H 3.808059 -2.983638 -0.621179
H 3.076087 3.001802 -0.816758
H 1.790803 1.783423 -1.180026
H 5.392316 1.454422 1.039852
H 1.413497 4.272392 0.638444
H 0.158342 3.079449 0.234286
H 6.277853 -2.546712 -0.418705
H 7.073304 -0.299553 0.409371
H -0.089580 5.145819 -1.193865
H 0.317306 3.742903 -2.224140
H 1.574685 4.945210 -1.813534


