%chk=000054969.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054969

0 1
 O    2.762900      -1.736700      0.2603000    
 O    2.287900       2.852800     -1.8200001E-02
 O   -1.227900      -2.236800     -0.3384000    
 O   0.7467000      -3.131200      8.5000005E-03
 N   -3.842800      0.3202000      0.2235000    
 N   0.3817000       1.560000     -0.2546000    
 N    2.539300      0.5557000      0.1241000    
 N   7.7999998E-03  -2.130000     -0.1502000    
 C  -0.1737000      0.3193000     -0.2857000    
 C   0.5888000     -0.8340000     -0.1162000    
 C   -1.589500      0.2814000     -0.5047000    
 C    1.941900     -0.6533000      8.5100003E-02
 C   -2.501000      0.3458000      0.4752000    
 C    1.712100       1.603900     -5.0400000E-02
 C   -4.385300     -0.3882000     -0.9282000    
 C   -4.810100      0.7788000       1.211600    
 C    4.144900      -1.466400      0.4621000    
 C    1.416300       3.958700     -0.2039000    
 H   -1.881600      0.2029000      -1.548400    
 H   -2.229300      0.4954000       1.514500    
 H   -5.465400     -0.5469000     -0.8293000    
 H   -3.927400      -1.377200      -1.040200    
 H   -4.224700      0.1878000      -1.845800    
 H   -5.691800       1.208800      0.7241000    
 H   -4.384500       1.556100       1.856200    
 H   -5.131700     -5.6400001E-02   1.842300    
 H    4.302600     -0.8814000       1.374400    
 H    4.578200     -0.9605000     -0.4073000    
 H    4.659800      -2.424100      0.5843000    
 H   0.9405000       3.924500      -1.189800    
 H    2.015700       4.872500     -0.1524000    
 H   0.6640000       4.005500      0.5908000    


%chk=000054969-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054969

0 1
O 3.087780 -1.718609 -0.309651
O 1.990339 2.675194 0.662941
O -0.644846 -2.822963 -1.087439
O 1.052742 -3.434273 0.306063
N -3.912606 0.643564 -0.017177
N 0.206352 1.204127 0.233357
N 2.533914 0.499676 0.184418
N 0.377020 -2.534164 -0.329889
C -0.233588 -0.086986 -0.053004
C 0.750668 -1.134707 -0.168040
C -1.654539 -0.298080 -0.175766
C 2.135826 -0.764636 -0.071875
C -2.550582 0.734557 0.073190
C 1.528950 1.411972 0.353317
C -4.553512 -0.625755 -0.404100
C -4.781843 1.798126 0.259565
C 4.504896 -1.288039 -0.234027
C 0.972307 3.727074 0.853382
H -1.988639 -1.283790 -0.497491
H -2.145607 1.710629 0.361479
H -5.647920 -0.504506 -0.395623
H -4.280974 -1.434365 0.300086
H -4.237909 -0.934480 -1.418655
H -5.384644 2.062800 -0.630370
H -4.166750 2.670185 0.533623
H -5.473070 1.582220 1.096733
H 4.726635 -0.878796 0.764848
H 4.713990 -0.517913 -0.994598
H 5.068756 -2.211298 -0.426934
H 0.382816 3.868162 -0.068581
H 1.556300 4.627728 1.091761
H 0.292139 3.464348 1.681758


