%chk=000025053.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025053

0 1
 O    1.702800     -0.2553000      0.2229000    
 N    4.484600       1.794200     -0.9692000    
 C  -0.6927000     -4.6799999E-02 -0.1167000    
 C   -2.013200      0.1520000      0.6569000    
 C  -0.7343000      -1.180700      -1.165600    
 C   -3.200500      0.5170000     -0.2402000    
 C   0.4513000     -0.2226000      0.8954000    
 C   -4.501500      0.7286000      0.5388000    
 C   -1.010600      -2.569700     -0.6065000    
 C   -5.678500       1.116600     -0.3431000    
 C    2.781900     -0.4072000       1.135200    
 C    4.097700     -0.4367000      0.3701000    
 C    4.313000      0.8106000     -0.3780000    
 H  -0.4873000      0.8762000     -0.6770000    
 H   -2.252500     -0.7478000       1.235900    
 H   -1.879000      0.9596000       1.388400    
 H   -1.485300     -0.9509000      -1.929700    
 H   0.2240000      -1.209800      -1.699200    
 H   -3.371700     -0.2767000     -0.9755000    
 H   -2.962300       1.428500     -0.8019000    
 H   0.3180000      -1.139500       1.481000    
 H   0.4528000      0.6241000       1.593100    
 H   -4.351100       1.512400       1.290800    
 H   -4.752900     -0.1898000       1.082600    
 H  -0.2397000      -2.880800      0.1037000    
 H   -1.020400      -3.301300      -1.421400    
 H   -1.983900      -2.617700     -0.1103000    
 H   -6.578900       1.255200      0.2633000    
 H   -5.476700       2.052500     -0.8735000    
 H   -5.883100      0.3384000      -1.085100    
 H    2.778300      0.4250000       1.849900    
 H    2.663600      -1.345800       1.689200    
 H    4.088900      -1.272900     -0.3388000    
 H    4.926000     -0.6011000       1.067500    


%chk=000025053-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025053

0 1
O 1.727166 -0.311243 0.234775
N 4.526842 2.088552 -0.732205
C -0.683819 -0.077477 -0.074724
C -2.030798 0.134899 0.669437
C -0.712824 -1.226740 -1.122819
C -3.220695 0.475079 -0.256213
C 0.443823 -0.267909 0.955201
C -4.513638 0.803126 0.525696
C -1.115570 -2.615054 -0.574611
C -5.705430 1.138180 -0.396894
C 2.871998 -0.463759 1.123302
C 4.137920 -0.359494 0.249830
C 4.347022 0.991849 -0.298945
H -0.448935 0.857627 -0.625929
H -2.279972 -0.766800 1.266670
H -1.906597 0.962472 1.400193
H -1.407243 -0.945451 -1.938240
H 0.293071 -1.291514 -1.577718
H -3.421967 -0.371507 -0.943140
H -2.951194 1.340118 -0.897585
H 0.305661 -1.208736 1.534944
H 0.453517 0.581751 1.674032
H -4.320441 1.656642 1.207482
H -4.775882 -0.058463 1.173590
H -0.425570 -2.960701 0.217577
H -1.090745 -3.369631 -1.382128
H -2.138296 -2.613099 -0.153954
H -6.616793 1.369110 0.184802
H -5.478993 2.014591 -1.033052
H -5.938685 0.289648 -1.067738
H 2.872849 0.321510 1.910191
H 2.854890 -1.458721 1.621567
H 4.050090 -1.077703 -0.586078
H 5.026035 -0.643351 0.845685


