%chk=000113992.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113992

0 1
 S    2.243500      0.8401000     -0.5977000    
 N   -5.474100      0.1245000     -4.7400001E-02
 N    4.459800      0.6140000      0.8099000    
 N    3.774000      -1.327000     -0.3478000    
 C   -1.703100     -0.3309000      0.2386000    
 C  -0.5149000      0.4741000     -0.2971000    
 C   -3.033200      0.3171000     -0.1569000    
 C   -4.219000     -0.5043000      0.3467000    
 C   0.8478000     -0.1202000      5.9400000E-02
 C    3.619200     -8.7399997E-02 -7.7999998E-03
 H   -1.657700      -1.353000     -0.1560000    
 H   -1.635800     -0.4011000       1.330900    
 H  -0.6026000      0.5464000      -1.389000    
 H  -0.5766000       1.497500      9.4999999E-02
 H   -3.080400       1.333100      0.2549000    
 H   -3.082700      0.4089000      -1.249400    
 H   -4.188200     -0.5898000       1.438200    
 H   -4.183100      -1.518900     -6.4000003E-02
 H   0.9066000      -1.141500     -0.3308000    
 H   0.9513000     -0.1760000       1.148500    
 H   -5.506800      0.2173000      -1.062100    
 H   -5.511700       1.074200      0.3212000    
 H    5.285600      0.1831000       1.211000    
 H    4.281500       1.585400       1.040500    
 H    3.010300      -1.601300     -0.9744000    


%chk=000113992-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113992

0 1
S 2.266111 0.988892 -0.399299
N -5.623721 0.089993 -0.018226
N 4.833246 0.707564 0.378936
N 3.705745 -1.343263 0.510346
C -1.722630 -0.350189 0.073194
C -0.506953 0.557500 -0.233106
C -3.074383 0.367821 -0.146384
C -4.299581 -0.533897 0.170531
C 0.826466 -0.173818 0.000429
C 3.697881 -0.070531 0.236806
H -1.680349 -1.256088 -0.567120
H -1.662989 -0.705860 1.123072
H -0.562820 0.905637 -1.283495
H -0.549764 1.460674 0.406566
H -3.120796 1.276108 0.490425
H -3.145086 0.716187 -1.198122
H -4.232351 -0.883771 1.219531
H -4.256467 -1.442890 -0.461373
H 0.904929 -1.058398 -0.657080
H 0.931851 -0.487379 1.053769
H -5.837167 0.335121 -0.990225
H -5.814266 0.870004 0.618682
H 5.697237 0.238646 0.645050
H 4.790877 1.722493 0.351546
H 2.844683 -1.866253 0.289946


