%chk=000076681.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076681

0 1
 S   0.6288000       2.415400      0.3168000    
 N   -3.564700      -1.057700       1.085400    
 C   0.3234000     -8.4700003E-02 -0.2672000    
 C  -0.9418000      0.5582000     -0.4811000    
 C    1.286000      0.8275000      0.1761000    
 C   0.7092000      -1.436900     -0.4336000    
 C  -0.9119000       1.904100     -0.2029000    
 C   -2.162200     -0.1443000     -0.9518000    
 C    2.607900      0.4270000      0.4533000    
 C    2.019500      -1.837500     -0.1590000    
 C    2.957300     -0.9135000      0.2792000    
 C   -2.951600     -0.6578000      0.1849000    
 H  -7.7000000E-03  -2.179900     -0.7738000    
 H   -1.722500       2.615700     -0.2791000    
 H   -1.903600     -0.9680000      -1.626700    
 H   -2.784500      0.5408000      -1.541300    
 H    3.348700       1.143400      0.7972000    
 H    2.303100      -2.878000     -0.2898000    
 H    3.973900      -1.234300      0.4900000    


%chk=000076681-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076681

0 1
S 0.763390 2.589154 0.181437
N -3.198294 -1.753367 0.880824
C 0.312506 -0.029935 -0.238490
C -0.952341 0.652138 -0.491231
C 1.357743 0.872556 0.136469
C 0.608943 -1.418463 -0.320558
C -0.873642 2.015750 -0.310956
C -2.220970 -0.057976 -0.939063
C 2.665290 0.432030 0.421185
C 1.911981 -1.867498 -0.038596
C 2.934946 -0.950171 0.328947
C -2.759306 -0.997121 0.069383
H -0.175608 -2.135374 -0.586440
H -1.665596 2.754876 -0.426970
H -2.032176 -0.629017 -1.870215
H -3.007953 0.680959 -1.175485
H 3.453051 1.136303 0.706799
H 2.142290 -2.936515 -0.096891
H 3.943047 -1.318829 0.546452


