%chk=000050857.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050857

0 1
 O   3.7300002E-02 -9.8099999E-02 -0.9889000    
 N   -3.322900     -0.9577000      0.2559000    
 N   -4.611100     -0.4331000     -5.6899998E-02
 C   -2.325800     -0.1816000     -0.4817000    
 C   -2.362200       1.302800     -7.1800001E-02
 C  -0.9439000     -0.7933000     -0.2290000    
 C   -2.071300       1.536800       1.405600    
 C    1.310700     -8.0700003E-02 -0.4840000    
 C    1.759500      -1.145700      0.2889000    
 C    2.141400       1.002300     -0.7492000    
 C    3.055700      -1.127500      0.8037000    
 C    3.437700       1.020400     -0.2345000    
 C    3.894800     -4.4599999E-02  0.5419000    
 H   -2.523600     -0.2345000      -1.561800    
 H   -1.626400       1.863000     -0.6625000    
 H   -3.331000       1.753500     -0.3192000    
 H  -0.7261000     -0.7769000      0.8467000    
 H  -0.9458000      -1.840500     -0.5589000    
 H   -3.281500      -1.936100     -2.7600000E-02
 H   -2.759900      0.9877000       2.054200    
 H   -2.184300       2.601900       1.635800    
 H   -1.046200       1.261500       1.668900    
 H   -4.839000     -0.6457000      -1.027900    
 H   -5.309000     -0.9180000      0.5056000    
 H    1.150300      -2.021200      0.4913000    
 H    1.788800       1.833800      -1.352700    
 H    3.414600      -1.959600       1.402500    
 H    4.091300       1.863500     -0.4384000    
 H    4.904600     -3.1099999E-02  0.9413000    


%chk=000050857-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050857

0 1
O 0.104101 0.333503 -0.564833
N -3.302383 -0.995818 -0.006388
N -4.619456 -0.721126 -0.457324
C -2.284860 0.007681 -0.435429
C -2.623089 1.415558 0.105928
C -0.922884 -0.522316 0.045203
C -2.634745 1.532779 1.644843
C 1.448699 0.051008 -0.274521
C 1.882907 -1.009142 0.560722
C 2.394523 0.911644 -0.886981
C 3.268843 -1.197164 0.775148
C 3.770339 0.710285 -0.663213
C 4.218251 -0.345804 0.169338
H -2.230649 0.082772 -1.549699
H -1.897334 2.128778 -0.328092
H -3.623737 1.671265 -0.288795
H -0.851704 -0.487519 1.149337
H -0.771825 -1.573786 -0.287673
H -2.991168 -1.961126 -0.209796
H -3.264751 0.741123 2.087707
H -3.040960 2.513127 1.954414
H -1.619963 1.448756 2.075950
H -4.875779 -0.995387 -1.412644
H -5.338330 -0.842353 0.254525
H 1.165670 -1.680384 1.042007
H 2.030144 1.721912 -1.526218
H 3.602040 -2.017026 1.421861
H 4.496064 1.379316 -1.139237
H 5.288738 -0.499257 0.341159