%chk=000103843.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103843

0 1
 S  -0.3185000      0.8815000       1.352600    
 O   0.3296000       2.028000      0.7449000    
 O  -0.6402000      0.8897000       2.766800    
 N   0.5713000     -0.5227000      0.9988000    
 N   -5.396700     -0.1175000      -1.574800    
 C    2.239600      -1.589500     -0.5183000    
 C    3.445300     -0.7256000     -7.6899998E-02
 C   0.8906000     -0.8601000     -0.4060000    
 C    2.271600      -2.925600      0.2605000    
 C    3.618600      0.6166000     -0.7974000    
 C    4.875900       1.377300     -0.3758000    
 C    1.189600      -3.911100     -0.1583000    
 C    4.947900       2.742100      -1.043600    
 C   -1.828300      0.5841000      0.4824000    
 C   -2.864300     -6.7100003E-02   1.129200    
 C   -1.946300       1.008300     -0.8297000    
 C   -4.055600     -0.3015000      0.4425000    
 C   -3.137600      0.7740000      -1.516500    
 C   -4.192200      0.1191000     -0.8804000    
 H    2.385100      -1.825800      -1.581600    
 H    3.380300     -0.5361000       1.002500    
 H    4.362300      -1.310900     -0.2266000    
 H   8.5500002E-02  -1.486500     -0.8037000    
 H   0.9157000      4.4300001E-02  -1.020600    
 H    3.244700      -3.405200      9.3300000E-02
 H    2.200300      -2.747900       1.339900    
 H    3.645700      0.4427000      -1.880000    
 H    2.748500       1.251300     -0.5982000    
 H    5.767000      0.7953000     -0.6372000    
 H    4.881800       1.510100      0.7122000    
 H   0.4823000      -1.320600       1.639700    
 H   0.1940000      -3.564600      0.1338000    
 H    1.200700      -4.071900      -1.240700    
 H    1.355400      -4.877500      0.3290000    
 H    4.086800       3.359800     -0.7690000    
 H    5.855900       3.268300     -0.7327000    
 H    4.967800       2.644500      -2.133800    
 H   -2.775000     -0.4095000       2.155500    
 H   -1.137100       1.517800      -1.343200    
 H   -4.869600     -0.8145000      0.9485000    
 H   -3.231700       1.106100      -2.547300    
 H   -5.496700      0.1880000      -2.533600    
 H   -6.162000     -0.5915000      -1.113900    


%chk=000103843-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103843

0 1
S -0.395503 0.919981 1.131538
O 0.327613 2.073350 0.237578
O -0.619548 1.019355 2.738709
N 0.681613 -0.558407 0.917565
N -5.831015 -0.103322 -1.384683
C 2.436497 -1.614143 -0.498574
C 3.574022 -0.714499 0.051951
C 1.059742 -0.891397 -0.475108
C 2.403478 -2.974420 0.250727
C 3.776583 0.618522 -0.704273
C 5.051506 1.369082 -0.253940
C 1.383127 -3.997539 -0.296147
C 5.238954 2.718275 -0.980751
C -2.075258 0.600871 0.349772
C -3.095039 0.045641 1.145849
C -2.272714 0.947793 -0.999803
C -4.351990 -0.189353 0.562610
C -3.530929 0.709837 -1.579999
C -4.587592 0.131890 -0.810438
H 2.641638 -1.820232 -1.573547
H 3.367861 -0.496830 1.118077
H 4.518655 -1.297437 0.016982
H 0.290455 -1.505729 -0.990163
H 1.150782 0.064391 -1.021367
H 3.417923 -3.417270 0.197155
H 2.214485 -2.787451 1.327763
H 3.837529 0.423847 -1.797195
H 2.903157 1.280769 -0.542053
H 5.938531 0.724765 -0.426329
H 4.999194 1.543229 0.840009
H 0.279232 -1.322866 1.483387
H 0.339463 -3.646751 -0.187650
H 1.556748 -4.196333 -1.370773
H 1.463437 -4.960381 0.241105
H 4.378446 3.387128 -0.792737
H 6.154047 3.238757 -0.642261
H 5.317401 2.571847 -2.075110
H -2.913435 -0.164264 2.205304
H -1.466518 1.422214 -1.568798
H -5.161898 -0.612332 1.168220
H -3.706339 0.980060 -2.627749
H -6.013693 0.141021 -2.353839
H -6.592647 -0.495969 -0.838714


