%chk=000168663.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168663

0 1
 S   -4.393600      0.3146000      0.1970000    
 O   -4.617200      -1.024100      0.7065000    
 O   -5.413800      0.9929000     -0.5793000    
 N   0.5308000     -0.9743000     -0.2889000    
 N   -2.926800      0.3645000     -0.6752000    
 C  -0.7032000     -0.6342000     -0.9575000    
 C   -1.668700      2.5500000E-02  1.3900000E-02
 C   0.6441000      -2.289100      0.3441000    
 C    1.601100     -7.1500003E-02 -0.2271000    
 C    2.781500     -0.4191000      0.4389000    
 C    1.410000      -3.238400     -0.5571000    
 C    1.498500       1.186900     -0.8304000    
 C    3.845900      0.4804000      0.5009000    
 C    2.562900       2.086300     -0.7685000    
 C    3.736500       1.733000     -0.1029000    
 C   -3.989500       1.363900       1.574500    
 C    5.101600      0.1026000       1.211100    
 H   -1.174000      -1.554900      -1.331200    
 H  -0.5614000     -4.3400001E-02  -1.869300    
 H   -1.240100      0.9447000      0.4274000    
 H   -1.866500     -0.6569000      0.8480000    
 H    1.074100      -2.236500       1.350500    
 H  -0.3589000      -2.707900      0.4990000    
 H   -2.826800       1.125200      -1.360300    
 H    2.921800      -1.377500      0.9273000    
 H   0.9113000      -3.341900      -1.527200    
 H    2.434900      -2.910700     -0.7509000    
 H    1.459200      -4.231900     -9.9600002E-02
 H   0.6088000       1.529600      -1.347100    
 H    2.477100       3.063400      -1.235200    
 H    4.558100       2.443200     -6.3500002E-02
 H   -3.660300       2.334400       1.198400    
 H   -4.895500       1.491900       2.171900    
 H   -3.217900      0.8926000       2.184700    
 H    5.711500      0.9812000       1.447200    
 H    4.875200     -0.3962000       2.159600    
 H    5.697400     -0.5721000      0.5882000    


%chk=000168663-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168663

0 1
S -4.063536 -0.099351 0.066348
O -3.448588 -1.332569 0.943834
O -4.664752 -0.328038 -1.431421
N 0.583334 -0.641462 -0.015730
N -2.756275 1.281068 -0.008938
C -0.673205 -0.116695 -0.558287
C -1.422768 0.803292 0.449373
C 0.521359 -1.982556 0.604936
C 1.787489 0.080054 -0.114540
C 3.026893 -0.480246 0.327535
C 0.892126 -3.132095 -0.361826
C 1.818258 1.405521 -0.654036
C 4.243405 0.235428 0.245422
C 3.031937 2.114923 -0.737816
C 4.245610 1.548423 -0.290143
C -5.387578 0.753251 1.126004
C 5.541837 -0.417953 0.693541
H -1.332151 -0.971865 -0.798470
H -0.495434 0.427597 -1.507407
H -0.830252 1.710817 0.673395
H -1.564328 0.257973 1.399434
H 1.176560 -2.005298 1.496077
H -0.510175 -2.133931 0.973893
H -2.759202 1.548270 -1.015736
H 3.054973 -1.496978 0.732586
H 0.196930 -3.161000 -1.220304
H 1.915381 -3.008901 -0.757212
H 0.832730 -4.107059 0.156966
H 0.901350 1.891994 -1.000094
H 3.024900 3.130890 -1.150532
H 5.181736 2.114227 -0.354688
H -5.716660 1.635137 0.561214
H -6.186654 0.010287 1.256649
H -4.897779 1.019919 2.071139
H 6.288700 0.337993 0.993611
H 5.382866 -1.099671 1.548215
H 5.989062 -1.015198 -0.125096


