%chk=000049246.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049246

0 1
 O  -0.2639000      0.6385000       2.386200    
 O  -0.3076000      0.6033000      -2.418600    
 O   -2.185800      -2.786800      2.6000001E-02
 N   -1.217500      -1.052600       1.176500    
 N   -1.236500      -1.071200      -1.167300    
 C  -0.2033000      0.8462000     -1.8300001E-02
 C    1.304500       1.131500     -3.8100000E-02
 C    2.106100     -0.1621000      3.1099999E-02
 C  -0.5479000      0.1532000       1.289100    
 C  -0.5706000      0.1334000      -1.309600    
 C    3.606600      0.1245000     -1.9500000E-02
 C  -0.9909000       2.126300     -1.5400000E-02
 C    4.420500      -1.159100      1.4600000E-02
 C   -1.588300      -1.709000      1.2700000E-02
 C   -2.325400       2.183900      5.0700001E-02
 H    1.587000       1.771700      0.8091000    
 H    1.583300       1.683900     -0.9458000    
 H    1.887100     -0.7097000      0.9547000    
 H    1.846600     -0.8224000     -0.8045000    
 H    3.894700      0.7561000      0.8289000    
 H    3.850900      0.6777000     -0.9340000    
 H  -0.4467000       3.066400     -7.5000003E-02
 H   -1.461400      -1.513500       2.048700    
 H   -1.494900      -1.545700      -2.028000    
 H    4.181100      -1.798700     -0.8409000    
 H    4.224600      -1.723700      0.9317000    
 H    5.490300     -0.9306000     -2.1400001E-02
 H   -2.830400       3.143900      4.6599999E-02
 H   -2.941000       1.293400      0.1073000    


%chk=000049246-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049246

0 1
O -0.462188 0.432783 2.299151
O -0.211502 0.309791 -2.562137
O -2.453087 -2.969265 -0.151686
N -1.476281 -1.204761 1.031116
N -1.315072 -1.296632 -1.323495
C -0.331200 0.704438 -0.140136
C 1.200550 1.055553 -0.069313
C 2.132708 -0.174714 -0.013918
C -0.738591 -0.011825 1.155145
C -0.592842 -0.096701 -1.434870
C 3.621227 0.236646 0.062177
C -1.124822 2.020244 -0.302977
C 4.572078 -0.977502 0.130673
C -1.800214 -1.897470 -0.148131
C -1.820505 2.678868 0.652765
H 1.340968 1.681729 0.829873
H 1.439097 1.668940 -0.957535
H 1.887025 -0.797086 0.870879
H 1.981039 -0.808041 -0.911906
H 3.775162 0.880247 0.951742
H 3.872486 0.857038 -0.821702
H -1.047650 2.430349 -1.319867
H -1.787804 -1.646809 1.902595
H -1.522754 -1.796379 -2.194647
H 4.458702 -1.622048 -0.761238
H 4.360818 -1.596865 1.022585
H 5.628835 -0.658374 0.184118
H -2.313419 3.627841 0.414531
H -1.901564 2.318804 1.683706


