%chk=000173568.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173568

0 1
 S   -1.209600      0.5840000       1.266100    
 N    1.187800      -2.203300     -0.5317000    
 N   -2.376300       1.511300     -0.9053000    
 N   -3.182100     -0.5624000     -0.1121000    
 C   0.4878000     -0.9213000     -0.3837000    
 C    1.473400      0.2384000     -0.6384000    
 C    2.626400      0.3430000      0.3657000    
 C  -0.2056000     -0.9076000      0.9871000    
 C    3.589400       1.458400     -1.4800000E-02
 C   -2.391200      0.4596000     -3.2800000E-02
 H  -0.2726000     -0.8893000      -1.173600    
 H   0.9276000       1.189400     -0.6597000    
 H    1.894200      0.1220000      -1.646800    
 H    2.238400      0.5439000       1.369900    
 H    3.182000     -0.6000000      0.4121000    
 H  -0.8662000      -1.777000       1.088200    
 H   0.5258000     -0.9764000       1.799500    
 H    1.599100      -2.264100      -1.462400    
 H   0.5195000      -2.969800     -0.4625000    
 H    4.402200       1.522500      0.7154000    
 H    4.031300       1.276700     -0.9996000    
 H    3.078100       2.426100     -3.9900001E-02
 H   -3.009800       1.551700      -1.696200    
 H   -1.726100       2.281000     -0.7897000    
 H   -3.788600     -0.4484000     -0.9316000    


%chk=000173568-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173568

0 1
S -1.156235 1.102280 0.577444
N 1.193013 -2.169495 -0.422911
N -3.567305 1.582628 -0.503134
N -2.861608 -0.749080 -0.537503
C 0.662514 -0.792369 -0.568489
C 1.833126 0.208156 -0.735369
C 2.828449 0.282965 0.446416
C -0.217823 -0.531647 0.672864
C 4.066379 1.141670 0.107935
C -2.704645 0.516021 -0.262728
H -0.000736 -0.682600 -1.459066
H 1.403452 1.211663 -0.924976
H 2.390204 -0.069503 -1.656972
H 2.322700 0.711309 1.334231
H 3.137532 -0.741483 0.727292
H -1.008509 -1.298530 0.746964
H 0.373404 -0.499415 1.600788
H 1.961051 -2.387884 -1.066011
H 0.466758 -2.893336 -0.431305
H 4.760567 1.206708 0.966127
H 4.624524 0.712769 -0.746349
H 3.773461 2.172607 -0.169032
H -4.472113 1.422790 -0.941176
H -3.316614 2.532916 -0.235370
H -3.756646 -1.000741 -0.996471


