%chk=000112714.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112714

0 1
 S    1.776900      0.3886000      0.9450000    
 O    4.596800      -1.465200      0.8581000    
 N   -2.124800      0.3110000     -0.1649000    
 N    3.992500      0.3271000     -0.5015000    
 N    2.806100       2.423500     -0.3461000    
 C   -4.551700      3.1500001E-02 -0.3640000    
 C   -3.315500     -0.2016000      0.5028000    
 C   -5.809900     -0.5184000      0.3088000    
 C  -0.9367000      8.5699998E-02  0.6462000    
 C   0.2861000      0.6631000     -5.5799998E-02
 C   -7.050100     -0.2588000     -0.5314000    
 C    3.030200       1.094400     -9.3599997E-02
 C    4.018300     -0.9952000     -0.1193000    
 C    3.281700      -1.885700      -1.084300    
 H   -4.419100     -0.4521000      -1.340200    
 H   -4.677000       1.105600     -0.5506000    
 H   -3.205800      -1.276800      0.6890000    
 H   -3.451800      0.2955000       1.471000    
 H   -5.704100      -1.597300      0.4718000    
 H   -5.940300     -5.2700002E-02   1.292700    
 H   -2.236100       1.308000     -0.3475000    
 H   -1.059000      0.5611000       1.627800    
 H  -0.7981000     -0.9912000      0.8039000    
 H   0.4278000      0.1880000      -1.032900    
 H   0.1497000       1.737300     -0.2181000    
 H   -7.937200     -0.6612000     -3.2299999E-02
 H   -7.203600      0.8144000     -0.6837000    
 H   -6.966100     -0.7368000      -1.512600    
 H    2.027500       2.920700      7.1599998E-02
 H    3.439100       2.959100     -0.9302000    
 H    2.710700      -2.631900     -0.5247000    
 H    2.587500      -1.319000      -1.710900    
 H    4.008100      -2.387700      -1.729000    


%chk=000112714-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112714

0 1
S 1.435321 -0.674258 0.156766
O 3.846260 -1.919193 0.655198
N -2.569774 0.395252 0.086428
N 4.025399 -0.065286 -0.811877
N 2.326758 1.304427 -1.570524
C -5.057427 0.545182 0.026167
C -3.834092 -0.318680 0.387972
C -6.399296 -0.168965 0.307424
C -1.335107 -0.358886 0.391474
C -0.138858 0.318856 -0.301798
C -7.624201 0.699048 -0.052415
C 2.735489 0.237207 -0.808847
C 4.548294 -1.140927 -0.067908
C 6.051784 -1.292969 -0.211576
H -4.992143 0.822281 -1.044055
H -5.024224 1.494574 0.602976
H -3.849615 -1.248414 -0.214972
H -3.908433 -0.630461 1.460665
H -6.434801 -1.116301 -0.267988
H -6.447866 -0.452693 1.378563
H -2.560346 1.328591 0.523251
H -1.129495 -0.462166 1.484638
H -1.453599 -1.383153 -0.009171
H -0.301457 0.298830 -1.393321
H -0.023757 1.359055 0.056680
H -8.570808 0.166668 0.153263
H -7.630848 1.638233 0.532514
H -7.615581 0.972030 -1.124421
H 1.356369 1.595360 -1.642380
H 3.050155 1.795405 -2.095273
H 6.407476 -2.142190 0.390529
H 6.313849 -1.448840 -1.273549
H 6.556676 -0.364615 0.110666


