%chk=000053517.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053517

0 1
 S   0.8300000      -1.512000      0.2758000    
 N   0.7273000       1.070600      0.3242000    
 C   -2.345600     -2.8200001E-02 -0.2313000    
 C   -1.391400     -3.2000002E-02  0.9662000    
 C   -3.805100     -5.2000000E-03  0.2227000    
 C   5.0400000E-02 -1.9200001E-02  0.5247000    
 C    2.245400     -0.6442000     -0.1542000    
 C    2.001300      0.7104000     -6.9300003E-02
 C   -4.756800      3.9299998E-02 -0.9622000    
 C    3.474700      -1.367300     -0.5376000    
 C    2.969700       1.787800     -0.3590000    
 H   -2.170000     -0.9136000     -0.8552000    
 H   -2.142300      0.8467000     -0.8621000    
 H   -1.591300     -0.8992000       1.607700    
 H   -1.571600      0.8581000       1.582300    
 H   -4.021100     -0.8946000      0.8261000    
 H   -3.984000      0.8698000      0.8584000    
 H   -4.625500     -0.8379000      -1.603700    
 H   -4.588700      0.9360000      -1.567100    
 H   -5.794500      5.3700000E-02 -0.6145000    
 H    3.824900      -2.002900      0.2828000    
 H    3.297500      -2.001000      -1.413100    
 H    4.287400     -0.6789000     -0.7898000    
 H    3.839200       1.714100      0.3020000    
 H    3.314600       1.728900      -1.396200    
 H    2.519200       2.774700     -0.2111000    


%chk=000053517-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053517

0 1
S 0.739979 -1.530788 0.033028
N 0.850436 1.096859 0.447309
C -2.439877 -0.061968 -0.240076
C -1.445991 0.180433 0.929732
C -3.912333 0.059555 0.212292
C -0.002222 0.091917 0.523832
C 2.293455 -0.642728 -0.264145
C 2.136836 0.711453 0.011068
C -4.910366 -0.171696 -0.942462
C 3.519563 -1.372099 -0.736890
C 3.209477 1.769491 -0.115433
H -2.266572 -1.068195 -0.671869
H -2.232947 0.668476 -1.046529
H -1.659435 -0.544050 1.740746
H -1.601587 1.193656 1.344004
H -4.106452 -0.671080 1.024123
H -4.078041 1.064634 0.650756
H -4.783965 -1.179691 -1.380670
H -4.757943 0.566784 -1.751878
H -5.956399 -0.082514 -0.596237
H 3.837020 -2.153106 -0.020715
H 3.355902 -1.866327 -1.712857
H 4.357792 -0.664371 -0.855227
H 4.071994 1.566148 0.545766
H 3.592987 1.848982 -1.149351
H 2.782391 2.744123 0.168183


