%chk=000019706.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019706

0 1
 S    2.083600      -2.243700      0.1194000    
 N   -1.093000      0.8783000      0.3919000    
 N    1.228600      0.2777000      0.3078000    
 N  -0.4560000      -1.428800      0.2193000    
 C   -2.793100     -0.8316000      0.3006000    
 C   0.5963000       2.599900      0.4791000    
 C   -1.355800     -0.4358000      0.3050000    
 C   0.2198000       1.160300      0.3877000    
 C   -3.376100     -0.8881000      -1.109400    
 C   0.7178000       3.257200     -0.8934000    
 C   0.8156000     -0.9973000      0.2262000    
 C    3.412100      -1.348100     -0.7341000    
 H   -2.905000      -1.812000      0.7788000    
 H   -3.371100     -0.1215000      0.9038000    
 H  -0.1516000       3.137600       1.073800    
 H    1.549100       2.696600       1.013000    
 H   -3.309100      8.7600000E-02  -1.602600    
 H   -4.429900      -1.181100      -1.072300    
 H   -2.839900      -1.615300      -1.728400    
 H    1.483100       2.762000      -1.500800    
 H   0.9949000       4.310600     -0.7860000    
 H  -0.2301000       3.206300      -1.439800    
 H    3.795800     -0.5383000     -0.1077000    
 H    3.051000     -0.9396000      -1.681900    
 H    4.231800      -2.040700     -0.9433000    


%chk=000019706-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019706

0 1
S 2.111095 -2.425694 -0.295170
N -1.009014 0.794277 0.333552
N 1.318204 0.187185 0.040201
N -0.400399 -1.533081 0.042675
C -2.778754 -0.926352 0.305696
C 0.702856 2.567194 0.303229
C -1.323228 -0.540716 0.232383
C 0.319662 1.110426 0.230949
C -3.516469 -0.583001 -1.017306
C 0.342041 3.308578 -1.012895
C 0.897461 -1.108945 -0.046569
C 3.703874 -1.424990 -0.351814
H -2.846518 -2.007261 0.511662
H -3.249049 -0.369874 1.136451
H 0.154007 3.033515 1.141261
H 1.785731 2.639516 0.498764
H -3.440016 0.496961 -1.233175
H -4.585118 -0.849241 -0.937770
H -3.083913 -1.143219 -1.865264
H 0.892839 2.881826 -1.870071
H 0.604247 4.378207 -0.932751
H -0.739952 3.227573 -1.215678
H 3.834849 -0.881007 0.593439
H 3.668066 -0.714605 -1.188934
H 4.506297 -2.165073 -0.496166


