%chk=000158511.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158511

1 1
 S    4.120900      0.1574000       1.344300    
 O  -0.8480000      0.5545000      0.6085000    
 N   -5.531700       1.133100     -1.7500000E-02
 N   -1.184200      -2.126600     -0.3338000    
 C   7.6399997E-02  -1.626700      5.0799999E-02
 C   -4.501100      0.3707000     -8.9199997E-02
 C    1.220100      -2.462800     -2.5100000E-02
 C   0.2170000     -0.3090000      0.5097000    
 C   -2.090900      7.4600004E-02  0.2335000    
 C    2.482800      -1.946900      0.3653000    
 C   -2.201200      -1.326700     -0.2477000    
 C   -3.167400      0.8646000      0.3062000    
 C    2.583900     -0.6240000      0.8189000    
 C   -5.428700       2.535300      0.4625000    
 C   -6.881500      0.6533000     -0.4109000    
 C    1.458700      0.1916000      0.8913000    
 C   -4.622200      -1.018700     -0.5682000    
 C   -3.546900      -1.806200     -0.6403000    
 C    1.161800      -3.799600     -0.4759000    
 C    3.623900      -2.763200      0.2956000    
 C   -5.136300       3.444800     -0.7115000    
 C   -7.559000      2.8400000E-02  0.7898000    
 C    2.305800      -4.597200     -0.5389000    
 C    3.535600      -4.079300     -0.1536000    
 C    4.214500       1.510200      0.1865000    
 C    4.236400       2.842500      0.6080000    
 C    4.266700       1.216600      -1.178700    
 C    4.309700       3.873400     -0.3289000    
 C    4.182700       3.212700       2.055800    
 C    4.340300       2.247400      -2.115700    
 C    4.361900       3.575700      -1.690700    
 H   -3.006100       1.880000      0.6439000    
 H   -6.400400       2.805400      0.8938000    
 H   -4.718000       2.629900       1.287000    
 H   -7.458000       1.527900     -0.7360000    
 H   -6.839000      6.9999998E-04  -1.286300    
 H    1.517600       1.216100       1.252300    
 H   -5.567900      -1.461200     -0.8505000    
 H   -3.634900      -2.831900     -0.9831000    
 H   0.2171000      -4.241500     -0.7866000    
 H    4.611500      -2.413300      0.5825000    
 H   -4.176500       3.212000      -1.184400    
 H   -5.911400       3.373400      -1.482800    
 H   -5.097500       4.486500     -0.3764000    
 H   -7.017000     -0.8486000       1.159000    
 H   -7.646400      0.7373000       1.620600    
 H   -8.570300     -0.2944000      0.5221000    
 H    2.233000      -5.622600     -0.8896000    
 H    4.426500      -4.698500     -0.2024000    
 H    4.259700      0.1903000      -1.538300    
 H    4.327400       4.914500     -1.7500000E-02
 H    3.252900       2.857900       2.512600    
 H    5.039900       2.795000       2.594200    
 H    4.214500       4.298600       2.199800    
 H    4.382500       2.015900      -3.176000    
 H    4.419500       4.378100      -2.420300    


%chk=000158511-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158511

1 1
S 4.463655 0.000842 -0.337441
O -0.709708 0.477606 -0.193872
N -5.504097 1.165063 -0.136410
N -1.104402 -2.335633 0.122359
C 0.155993 -1.810389 0.025201
C -4.417851 0.326238 -0.076007
C 1.324014 -2.680392 0.078735
C 0.381766 -0.398118 -0.135255
C -2.008967 -0.046878 -0.096065
C 2.646833 -2.112232 -0.028259
C -2.163750 -1.479234 0.061523
C -3.075841 0.835989 -0.167233
C 2.787325 -0.670287 -0.190594
C -5.353460 2.644854 -0.204696
C -6.907037 0.661894 -0.133403
C 1.657693 0.167858 -0.241882
C -4.593492 -1.110625 0.087076
C -3.510003 -1.970436 0.151357
C 1.170874 -4.086150 0.235251
C 3.774792 -2.987244 0.029673
C -5.189954 3.169114 -1.648529
C -7.477230 0.475879 1.289543
C 2.295584 -4.921827 0.286307
C 3.603431 -4.369192 0.183280
C 4.185176 1.829382 -0.439725
C 4.074958 2.602644 0.750131
C 4.197241 2.416071 -1.725307
C 3.956556 4.008473 0.589248
C 4.085403 1.979998 2.132566
C 4.081420 3.818400 -1.851479
C 3.960245 4.612118 -0.688546
H -2.864870 1.896870 -0.309669
H -6.257840 3.083788 0.251913
H -4.503861 2.955580 0.427969
H -7.513723 1.400971 -0.685764
H -6.964404 -0.276619 -0.710199
H 1.756587 1.248756 -0.373184
H -5.598255 -1.527367 0.176635
H -3.646685 -3.047974 0.278932
H 0.158536 -4.491277 0.313331
H 4.787109 -2.577529 -0.045159
H -4.285239 2.761936 -2.131778
H -6.060293 2.899038 -2.271866
H -5.109778 4.270316 -1.638211
H -6.913224 -0.281988 1.860267
H -7.447600 1.422107 1.857800
H -8.530299 0.149372 1.230017
H 2.169315 -6.002350 0.406413
H 4.477677 -5.026056 0.225351
H 4.303119 1.784534 -2.612941
H 3.873442 4.634271 1.484833
H 3.248483 1.269417 2.268229
H 5.016590 1.412726 2.312292
H 4.002027 2.753841 2.912920
H 4.095707 4.280432 -2.843435
H 3.879013 5.700820 -0.774543


