%chk=000170729.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170729

1 1
 S   -2.035000       1.669900     -0.7162000    
 O    2.866800       3.458800      0.5080000    
 N   -2.030400     -0.6208000      0.3051000    
 N    2.395700       1.169200      0.1044000    
 C   -3.364200     -0.3062000      0.1756000    
 C   -1.197500      0.3061000     -0.1151000    
 C   -1.576000      -1.877800      0.8622000    
 C   -3.568800      0.9495000     -0.3826000    
 C   -4.448000      -1.115500      0.5453000    
 C   0.2060000      0.2299000     -9.0899996E-02
 C   -4.862300       1.447000     -0.5940000    
 C   -1.413300      -2.932900     -0.2153000    
 C   -5.740000     -0.6234000      0.3362000    
 C   -5.942400      0.6374000     -0.2243000    
 C    1.038200       1.287100      7.3100001E-02
 C    3.032700     -0.1386000     -5.3700000E-02
 C    3.242500       2.296500      0.3263000    
 C    3.348600     -0.5360000      -1.317800    
 C    3.265500     -0.8661000       1.074200    
 C    3.956300      -1.782500      -1.468800    
 C    3.873400      -2.112500      0.9230000    
 C    4.733600       2.031700      0.2935000    
 C    4.218600      -2.570600     -0.3484000    
 H  -0.6308000      -1.741400       1.400600    
 H   -2.272500      -2.228900       1.630900    
 H   -4.327600      -2.104400      0.9748000    
 H   0.6202000     -0.7658000     -0.2038000    
 H   -5.028200       2.427000      -1.029700    
 H   -2.364400      -3.128300     -0.7208000    
 H   -1.061900      -3.872100      0.2226000    
 H  -0.6927000      -2.622200     -0.9778000    
 H   -6.596800      -1.232600      0.6121000    
 H   -6.956200      0.9988000     -0.3779000    
 H   0.6541000       2.292800      0.2085000    
 H    3.144900      7.7100001E-02  -2.189300    
 H    2.997100     -0.5101000       2.063200    
 H    4.225100      -2.139100      -2.458700    
 H    4.077600      -2.726400       1.795400    
 H    5.266200       2.974600      0.4576000    
 H    5.040500       1.646700     -0.6816000    
 H    5.027400       1.347600       1.092800    
 H    4.691700      -3.541100     -0.4659000    


%chk=000170729-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170729

1 1
S -2.023659 1.889140 -0.030578
O 2.604949 3.472458 -0.135984
N -2.089001 -0.729601 0.296175
N 2.468994 1.135362 0.009140
C -3.460072 -0.350239 0.244237
C -1.189216 0.296086 0.150725
C -1.685555 -2.158777 0.456903
C -3.631023 1.049606 0.082153
C -4.586862 -1.197802 0.338920
C 0.227630 0.145271 0.130843
C -4.903105 1.641459 0.018294
C -1.575053 -2.891362 -0.894137
C -5.866513 -0.610394 0.274686
C -6.027056 0.790921 0.117598
C 1.095938 1.223786 0.039195
C 3.140717 -0.158797 0.071106
C 3.232645 2.391997 -0.089252
C 3.404291 -0.862021 -1.127007
C 3.511246 -0.690540 1.327733
C 4.062196 -2.111390 -1.063178
C 4.169377 -1.940317 1.380927
C 4.734089 2.257559 -0.126117
C 4.446314 -2.649216 0.188063
H -0.732521 -2.188281 1.009063
H -2.437354 -2.634858 1.107692
H -4.485460 -2.280368 0.453806
H 0.642432 -0.865457 0.181212
H -5.026644 2.720923 -0.104874
H -2.532980 -2.876409 -1.441196
H -1.298850 -3.945430 -0.718703
H -0.802846 -2.437452 -1.538796
H -6.751454 -1.249722 0.345391
H -7.031779 1.220789 0.070286
H 0.741336 2.262493 -0.017311
H 3.108321 -0.433497 -2.090898
H 3.294859 -0.132269 2.245261
H 4.280337 -2.657754 -1.986306
H 4.469559 -2.354594 2.348661
H 5.169919 3.262434 -0.215991
H 5.064328 1.637237 -0.977826
H 5.117746 1.774426 0.789869
H 4.963482 -3.612999 0.233016


