%chk=000053715.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053715

0 1
 O    2.707900     -0.8972000      0.1771000    
 O    1.101000      -2.441100     -0.3622000    
 O   -2.969400     -0.1380000      0.3677000    
 O   -1.927600       1.094900      -1.266300    
 N  -0.7283000     -0.3014000      0.1494000    
 C    2.794400      0.5389000      0.2400000    
 C    1.349700      0.9887000      0.4035000    
 C   0.5831000     -6.1000001E-02 -0.3718000    
 C    3.652400      0.9270000       1.440100    
 C    3.427500       1.047700      -1.057200    
 C    1.443800      -1.282000     -0.1874000    
 C   -1.881900      0.2947000     -0.3377000    
 C   -4.231700      0.4042000     -3.6400001E-02
 C   -5.320800     -0.1754000      0.8410000    
 H    1.163900       2.005300      4.1700002E-02
 H    1.054000      0.9632000       1.461100    
 H   0.5340000      0.1832000      -1.438300    
 H    3.251100      0.4976000       2.365000    
 H    4.669200      0.5318000       1.335600    
 H    3.711000       2.013900       1.557000    
 H    3.491500       2.140500      -1.068400    
 H    4.437400      0.6397000      -1.179200    
 H    2.861000      0.7255000      -1.937500    
 H  -0.8291000     -0.9391000      0.9339000    
 H   -4.211400       1.494400      7.0100002E-02
 H   -4.422200      0.1438000      -1.083500    
 H   -6.301200      0.2185000      0.5591000    
 H   -5.341300      -1.267100      0.7593000    
 H   -5.134100      6.1099999E-02   1.893800    


%chk=000053715-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053715

0 1
O 2.810245 -0.913321 0.264308
O 1.216754 -2.603284 0.133541
O -3.010163 -0.241391 0.348571
O -1.713211 1.403417 -0.743890
N -0.758575 -0.524469 0.185644
C 2.813032 0.624756 0.203931
C 1.306306 0.983859 0.346622
C 0.584648 -0.225597 -0.292616
C 3.677872 1.086497 1.378913
C 3.407914 1.017419 -1.158922
C 1.525799 -1.401693 0.040507
C -1.810597 0.307169 -0.127788
C -4.231445 0.570091 0.075158
C -5.406653 -0.198584 0.670402
H 1.048734 1.931868 -0.149093
H 1.025029 1.051870 1.412826
H 0.569928 -0.095713 -1.395017
H 3.294470 0.679370 2.329922
H 4.722298 0.753396 1.252897
H 3.668403 2.190017 1.441002
H 3.516215 2.115270 -1.221093
H 4.404174 0.560879 -1.285906
H 2.768404 0.688810 -1.997063
H -0.942158 -1.451625 0.579247
H -4.101607 1.566208 0.536064
H -4.325704 0.705707 -1.017572
H -6.344876 0.358728 0.494959
H -5.501668 -1.194811 0.205671
H -5.279668 -0.332546 1.758275


