%chk=000145194.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145194

0 1
 S    4.274200       1.309700     -0.5303000    
 N    2.665700     -0.7138000      0.4773000    
 C   -2.885000      0.1033000     -0.4057000    
 C   -1.427600     -0.1119000     -0.1743000    
 C   -3.251200       1.596200     -0.5065000    
 C   -3.758400     -0.5774000      0.6653000    
 C  -0.6645000     -0.7991000      -1.118500    
 C  -0.8272000      0.3754000      0.9866000    
 C   0.6987000     -0.9992000     -0.9015000    
 C   0.5361000      0.1755000       1.203400    
 C    1.299100     -0.5119000      0.2594000    
 C    3.340200      0.1531000      4.4799998E-02
 H   -3.162100     -0.3504000      -1.367200    
 H   -3.082600       2.124200      0.4383000    
 H   -4.307600       1.715200     -0.7708000    
 H   -2.653400       2.092100      -1.279300    
 H   -3.525700      -1.645800      0.7354000    
 H   -4.819900     -0.4803000      0.4132000    
 H   -3.609600     -0.1358000       1.656500    
 H   -1.116400      -1.185600      -2.028100    
 H   -1.402100      0.9131000       1.735500    
 H    1.282800      -1.538400      -1.643000    
 H   0.9927000      0.5576000       2.112800    


%chk=000145194-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000145194

0 1
S 5.519547 -0.215004 0.403327
N 2.694318 -0.136857 0.144172
C -3.046116 0.027606 -0.379063
C -1.524001 -0.012066 -0.237905
C -3.572618 1.483930 -0.490867
C -3.747223 -0.724167 0.784459
C -0.717878 -0.638140 -1.222608
C -0.871660 0.574069 0.880274
C 0.685849 -0.686264 -1.107861
C 0.527951 0.538384 1.016202
C 1.319682 -0.095843 0.018278
C 3.895074 -0.168275 0.251283
H -3.308253 -0.495281 -1.320845
H -3.365187 2.055710 0.432774
H -4.666753 1.487589 -0.649767
H -3.098130 2.018371 -1.333270
H -3.405149 -1.772632 0.848090
H -4.843240 -0.724219 0.639150
H -3.536480 -0.239737 1.756054
H -1.196790 -1.097328 -2.095609
H -1.464173 1.066602 1.659942
H 1.296639 -1.172930 -1.874644
H 1.020790 0.992284 1.881735


