%chk=000113695.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113695

0 1
 S    1.182900     -0.9790000      -1.137900    
 N   -2.625700     -0.2339000      0.1081000    
 N    3.541500     -5.3199999E-02 -0.4515000    
 N    2.625000      -1.679600      0.9953000    
 C  -0.1632000     -0.4815000      2.4000001E-03
 C   0.1490000      0.8805000      0.6541000    
 C   -1.494500     -0.5504000     -0.7601000    
 C   0.2097000       2.078600     -0.3008000    
 C   0.6103000       3.348900      0.4361000    
 C   -2.740600      -1.221800       1.181200    
 C   -3.865900     -0.1757000     -0.6659000    
 C    2.571500     -0.9329000     -6.1000001E-02
 H  -0.1488000      -1.244100      0.7878000    
 H  -0.6180000       1.088700       1.411700    
 H    1.086100      0.8219000       1.221100    
 H   -1.625800      -1.548200      -1.202700    
 H   -1.469600      0.1602000      -1.596700    
 H  -0.7675000       2.237900     -0.7691000    
 H   0.9323000       1.905700      -1.104500    
 H  -0.1050000       3.583700       1.230800    
 H   0.6382000       4.195800     -0.2568000    
 H    1.603200       3.245300      0.8854000    
 H   -1.929200      -1.134700       1.909700    
 H   -2.773200      -2.250000      0.8026000    
 H   -3.658200      -1.051000       1.757500    
 H   -4.103000      -1.134700      -1.140900    
 H   -3.797500      0.5895000      -1.447300    
 H   -4.707500      0.1093000     -2.4700001E-02
 H    4.392400      6.9300003E-02  8.6499996E-02
 H    3.435400      0.5086000      -1.289200    
 H    3.510000      -1.500300       1.482300    


%chk=000113695-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113695

0 1
S 1.837654 0.225345 -0.645389
N -2.163736 -0.502077 0.290369
N 3.612181 -1.786633 -0.747603
N 1.737968 -2.139267 0.764690
C 0.191378 0.306763 0.329641
C -0.065087 1.750926 0.798876
C -0.939692 -0.313529 -0.526868
C -0.157924 2.822535 -0.312876
C -0.400798 4.234131 0.264062
C -2.132117 -1.745727 1.088619
C -3.418193 -0.361155 -0.471655
C 2.421392 -1.449314 -0.108237
H 0.397129 -0.356152 1.189323
H -1.021162 1.723023 1.359880
H 0.729239 2.040626 1.514583
H -0.575665 -1.274537 -0.959587
H -1.175339 0.356298 -1.373933
H -0.976949 2.569012 -1.014319
H 0.778862 2.822943 -0.906451
H -1.344261 4.268622 0.841166
H -0.464627 4.994254 -0.536299
H 0.419479 4.528311 0.945860
H -1.165849 -1.835090 1.612280
H -2.257748 -2.663915 0.460145
H -2.941866 -1.729246 1.841081
H -3.567142 -1.159838 -1.243185
H -3.440479 0.617765 -0.983151
H -4.278482 -0.401642 0.222028
H 4.073942 -2.670066 -0.541162
H 4.042978 -1.157017 -1.422583
H 2.139214 -3.062448 1.014195


