%chk=000096081.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096081

0 1
 S   0.5166000       1.954600     -0.1218000    
 N   -4.443000      -1.390000     -5.4499999E-02
 C  -0.9606000      0.9581000     -0.1016000    
 C    1.784500      0.7026000      1.1700000E-02
 C   -1.912000       1.141600      0.9017000    
 C   -1.165600     -5.2999998E-03  -1.089200    
 C   -3.273400     -0.6016000     -7.0100002E-02
 C   -3.068400      0.3617000      0.9177000    
 C   -2.322100     -0.7852000      -1.073500    
 C    1.815200     -0.1373000       1.122200    
 C    2.737000      0.5712000     -0.9956000    
 C    2.804900      -1.114800       1.226000    
 C    3.726600     -0.4063000     -0.8920000    
 C    3.760500      -1.249300      0.2190000    
 H   -1.769100       1.887100       1.680200    
 H  -0.4415000     -0.1620000      -1.884800    
 H   -3.802200      0.5140000       1.705000    
 H   -2.471200      -1.531600      -1.849500    
 H    1.084700     -4.6599999E-02   1.922200    
 H    2.725500       1.218800      -1.868700    
 H    2.832400      -1.770400       2.091600    
 H    4.470700     -0.5114000      -1.676000    
 H    4.531200      -2.010200      0.2999000    
 H   -5.132900      -1.257900      0.6732000    
 H   -4.591700      -2.089100     -0.7701000    


%chk=000096081-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096081

0 1
S 0.499651 1.638362 -1.009089
N -4.657587 -1.227233 0.471303
C -1.026744 0.730944 -0.534335
C 1.848955 0.541218 -0.375049
C -1.717064 1.069443 0.654042
C -1.563094 -0.264396 -1.386419
C -3.465510 -0.584571 0.141255
C -2.921763 0.423250 0.992311
C -2.764314 -0.919689 -1.056025
C 1.607525 -0.617633 0.397261
C 3.177136 0.920012 -0.694568
C 2.698485 -1.395807 0.848955
C 4.259564 0.136979 -0.236462
C 4.026762 -1.024958 0.537227
H -1.307078 1.841520 1.313475
H -1.035132 -0.524480 -2.309843
H -3.445796 0.698292 1.915638
H -3.167014 -1.689198 -1.725870
H 0.581492 -0.910668 0.642326
H 3.363979 1.816178 -1.297510
H 2.504820 -2.293500 1.447463
H 5.283611 0.435882 -0.487874
H 4.867968 -1.631334 0.890334
H -5.162427 -0.986376 1.319023
H -5.050324 -1.941536 -0.134571


