%chk=000113658.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113658

0 1
 S   0.2641000     -0.1827000      -1.114900    
 N   -1.781400       1.174600     -0.2135000    
 N    3.823700      0.5666000      0.6723000    
 N   -1.599800      -1.200000      0.3876000    
 C    1.453700      0.2525000      0.1754000    
 C    2.872800      0.2143000     -0.3778000    
 C   -1.253800     -9.8600000E-02 -0.1737000    
 C   -2.976700       1.671800      0.4169000    
 C  -0.8025000      -2.398400      0.2278000    
 H    1.216700       1.258300      0.5407000    
 H    1.356600     -0.4364000       1.020300    
 H    3.116800     -0.7881000     -0.7468000    
 H    2.986100      0.9186000      -1.210000    
 H   -1.264300       1.864000     -0.7539000    
 H    3.632700       1.510500       1.005900    
 H    4.765100      0.5868000      0.2821000    
 H   -3.113300       2.732100      0.1852000    
 H   -2.909800       1.561600       1.503200    
 H   -3.853500       1.124300      5.9099998E-02
 H   -1.326900      -3.216200      0.7365000    
 H   0.1754000      -2.337000      0.7138000    
 H  -0.7121000      -2.721300     -0.8153000    


%chk=000113658-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113658

0 1
S 0.326633 0.908024 -1.221445
N -2.171618 1.339378 -0.231968
N 3.931809 -0.052074 0.646576
N -1.377642 -0.780080 0.406516
C 1.678602 0.784395 0.121667
C 2.892059 -0.007419 -0.397573
C -1.202188 0.352313 -0.195178
C -3.497877 1.135779 0.359709
C -0.449645 -1.906747 0.316645
H 1.959041 1.816542 0.393484
H 1.244215 0.289954 1.003833
H 2.573138 -1.041813 -0.619565
H 3.234646 0.435132 -1.362255
H -1.889229 2.259565 -0.565281
H 4.432611 0.826462 0.801004
H 4.551792 -0.863873 0.618256
H -4.161519 1.962513 0.054048
H -3.452605 1.091472 1.465237
H -3.920435 0.178022 0.009658
H -1.024201 -2.835277 0.142445
H 0.093812 -2.037427 1.273884
H 0.298201 -1.797538 -0.498795


