%chk=000025724.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025724

0 1
 O   0.3639000      0.7453000      -1.872700    
 N   -1.628500       1.269300     -2.2200000E-02
 N  -0.3475000      0.8688000      0.3324000    
 N    4.415100     -0.6398000      0.6423000    
 C   -2.610200      0.3258000      0.4820000    
 C   -4.043100      0.7489000      0.1814000    
 C   -2.523000      -1.035300     -0.1977000    
 C   -4.845100     -0.5358000      0.3712000    
 C   -3.865000      -1.686400      0.1258000    
 C   0.5781000      0.6312000     -0.6684000    
 C    1.920100      0.1864000     -0.2099000    
 C    2.689300     -0.5830000      -1.049800    
 C    2.353100      0.5579000       1.040700    
 C    3.932000     -0.9715000     -0.5760000    
 C    3.610800      0.1183000       1.421000    
 H   -2.501400      0.2059000       1.569500    
 H   -4.143000       1.092900     -0.8562000    
 H   -4.391900       1.553900      0.8361000    
 H   -1.683100      -1.640000      0.1592000    
 H   -2.422400     -0.9287000      -1.285700    
 H   -5.700200     -0.5762000     -0.3110000    
 H   -5.236500     -0.5942000       1.393400    
 H   -3.783100      -2.302300       1.028800    
 H   -4.197900      -2.338600     -0.6880000    
 H   -1.780700       2.183000      0.4035000    
 H  -0.1635000      0.7241000       1.319700    
 H    2.361400     -0.8888000      -2.036500    
 H    1.792400       1.188100       1.719700    
 H    4.592400      -1.581200      -1.183900    
 H    4.021100      0.3795000       2.391000    


%chk=000025724-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025724

0 1
O -0.172427 -0.184520 -1.697499
N -1.842013 1.012851 0.271884
N -0.457906 0.809750 0.416156
N 4.567468 -0.291463 0.211207
C -2.725567 0.202445 1.151455
C -4.195677 0.575320 0.827723
C -2.652363 -1.292903 0.764749
C -4.591574 -0.303111 -0.406297
C -3.458089 -1.369591 -0.557378
C 0.300403 0.215495 -0.597165
C 1.773130 0.073274 -0.270340
C 2.501388 -0.948026 -0.928996
C 2.478653 0.923334 0.619632
C 3.877936 -1.095172 -0.656404
C 3.860521 0.702805 0.824894
H -2.485102 0.362629 2.230831
H -4.320283 1.658840 0.636446
H -4.823860 0.330142 1.703825
H -3.134366 -1.886649 1.566351
H -1.614886 -1.654718 0.654345
H -4.671732 0.309087 -1.320959
H -5.576880 -0.776459 -0.242141
H -3.855339 -2.383076 -0.744523
H -2.791514 -1.099077 -1.393064
H -2.082723 2.010800 0.225400
H -0.023928 0.934131 1.342155
H 1.987644 -1.595602 -1.645602
H 1.992419 1.768886 1.118346
H 4.465853 -1.879598 -1.145399
H 4.434417 1.347676 1.500069


