%chk=000054444.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054444

0 1
 O  -0.6264000       2.365700     -0.1758000    
 O    4.190600       1.069400      0.2915000    
 N   -2.318300      -1.285200       1.119700    
 C   -1.840900      0.3179000     -0.7373000    
 C  -0.7498000      0.9840000      0.1644000    
 C   -1.901800      -1.168700     -0.2926000    
 C   -1.150300      0.8643000       1.654800    
 C  -0.5690000      -1.902700     -0.5603000    
 C   0.6094000      0.2970000     -6.8000001E-03
 C   -1.458700     -0.5786000       2.069000    
 C   -3.237300      0.9796000     -0.5776000    
 C   -1.504200      0.4538000      -2.245800    
 C   0.6766000      -1.078800     -0.3177000    
 C    1.806400       1.003000      0.2052000    
 C    1.927500      -1.704000     -0.4386000    
 C    3.042700      0.3674000      8.5900001E-02
 C    3.103400     -0.9840000     -0.2381000    
 H   -2.678400      -1.682800     -0.8742000    
 H   -2.020600       1.501900       1.855800    
 H  -0.3592000       1.268000       2.300900    
 H  -0.5552000      -2.214700      -1.613300    
 H  -0.5205000      -2.824000      3.4699999E-02
 H  -0.5278000      -1.137500       2.218400    
 H   -1.956600     -0.5652000       3.045300    
 H   -2.375400      -2.268600       1.382600    
 H   -3.203800       2.040600     -0.8492000    
 H   -3.630600      0.9173000      0.4408000    
 H   -3.972300      0.4947000      -1.231100    
 H   -1.561500       1.498200      -2.572900    
 H   -2.218700     -0.1159000      -2.851700    
 H  -0.5056000      9.2799999E-02  -2.505000    
 H  -0.1683000       2.436900      -1.030400    
 H    1.776100       2.055900      0.4765000    
 H    1.988900      -2.760100     -0.6902000    
 H    4.063200      -1.484300     -0.3332000    
 H    3.964000       1.990400      0.5067000    


%chk=000054444-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054444

0 1
O -0.629608 2.419150 -0.133158
O 4.259420 1.050603 0.333323
N -2.300427 -1.239068 1.148309
C -1.863300 0.304643 -0.748371
C -0.758370 0.970722 0.154452
C -1.919447 -1.192226 -0.286219
C -1.169298 0.903162 1.648066
C -0.587839 -1.928303 -0.635158
C 0.598788 0.267602 -0.029369
C -1.382992 -0.559250 2.093435
C -3.244260 0.979797 -0.552186
C -1.491283 0.410264 -2.252881
C 0.671222 -1.115882 -0.349496
C 1.788337 1.001004 0.203131
C 1.948831 -1.726499 -0.437267
C 3.046620 0.368722 0.111141
C 3.135370 -1.004323 -0.212163
H -2.739612 -1.689514 -0.842417
H -2.094151 1.487682 1.786837
H -0.375690 1.371509 2.257786
H -0.603698 -2.199609 -1.711577
H -0.554182 -2.889426 -0.083208
H -0.390710 -1.060622 2.181533
H -1.846794 -0.572729 3.097251
H -2.553189 -2.186963 1.452452
H -3.141275 2.079475 -0.581365
H -3.699525 0.680913 0.405344
H -3.930249 0.675452 -1.365180
H -1.638387 1.446080 -2.614429
H -2.160583 -0.232790 -2.854499
H -0.449403 0.114652 -2.466945
H -0.314286 2.516915 -1.068566
H 1.705627 2.064469 0.462946
H 2.013788 -2.792518 -0.688780
H 4.120009 -1.476303 -0.277868
H 4.088149 1.996911 0.565498


