%chk=000100722.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100722

0 1
 O   0.3020000       2.218800      1.5300000E-02
 O    2.027500     -0.2997000       1.377700    
 N  -0.9175000      0.2636000     -0.1501000    
 C   -3.204300     -0.2445000      7.7600002E-02
 C   -2.407800      -1.542700      0.1169000    
 C   -2.152500      0.8070000      0.3959000    
 C   -1.075200      -1.144300     -0.5015000    
 C   0.2247000       1.029400     -0.2964000    
 C    1.419500      0.3115000     -0.8710000    
 C    2.282900     -0.3389000      0.1751000    
 C    3.500700      -1.060200     -0.3397000    
 H   -3.602500     -8.4899999E-02 -0.9317000    
 H   -4.039700     -0.2326000      0.7828000    
 H   -2.260300      -1.854500       1.158000    
 H   -2.894500      -2.360800     -0.4209000    
 H   -2.375500       1.785100     -4.0600002E-02
 H   -2.015000      0.9246000       1.476400    
 H  -0.2442000      -1.745700     -0.1237000    
 H   -1.108000      -1.216600      -1.594000    
 H    2.028800       1.057200      -1.395400    
 H    1.119300     -0.4332000      -1.612600    
 H    3.193000      -1.870100      -1.005800    
 H    4.059000      -1.485600      0.4989000    
 H    4.146200     -0.3574000     -0.8722000    


%chk=000100722-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100722

0 1
O 0.739813 1.822152 -0.326269
O 1.957452 -2.260091 -0.109745
N -0.815744 0.099452 -0.319968
C -3.093145 0.028714 0.390548
C -2.529646 -1.415470 0.330697
C -1.824085 0.912218 0.417885
C -1.300625 -1.283762 -0.599077
C 0.403114 0.637090 -0.654243
C 1.384321 -0.283362 -1.420364
C 2.235935 -1.065219 -0.406544
C 3.380612 -0.300166 0.231019
H -3.687025 0.243353 -0.516998
H -3.736919 0.202210 1.268757
H -2.205211 -1.739658 1.336366
H -3.259413 -2.150306 -0.048304
H -1.951566 1.893495 -0.070313
H -1.466788 1.101154 1.448451
H -0.516025 -2.028697 -0.385755
H -1.601154 -1.379695 -1.663060
H 2.020886 0.385476 -2.022148
H 0.856962 -0.995148 -2.075123
H 4.196063 -0.169503 -0.507052
H 3.772896 -0.843614 1.104322
H 3.045892 0.714876 0.515918


