%chk=000072973.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072973

0 1
 O    2.638800      -1.720900     -1.9700000E-02
 O    3.493100      0.1501000     -0.9745000    
 O   -2.658700      -1.044800      0.9486000    
 N   -2.190000     -3.0200001E-02  0.3233000    
 N    1.807500       1.783400      0.3527000    
 N   -2.693900      0.5292000     -0.7083000    
 C   0.2100000     -0.1162000      0.1132000    
 C    1.604800      0.3499000      0.5630000    
 C  -0.9542000      0.5802000      0.8048000    
 C    2.675100     -0.3782000     -0.2325000    
 C   -3.932600     -0.1026000      -1.170600    
 H   0.1260000      -1.198600      0.2813000    
 H   0.1175000      1.2700000E-02 -0.9747000    
 H    1.758000      0.1311000       1.625500    
 H  -0.9092000      0.4456000       1.890900    
 H  -0.9811000       1.654300      0.5922000    
 H    1.696900       2.011200     -0.6344000    
 H    2.759300       2.042300      0.6091000    
 H    3.333000      -2.190200     -0.5297000    
 H   -3.764200      -1.144600      -1.462500    
 H   -4.295800      0.4345000      -2.052000    
 H   -4.715200     -5.3800002E-02 -0.4061000    


%chk=000072973-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072973

0 1
O 2.963101 -1.676167 0.584646
O 3.541876 -0.129378 -1.052850
O -2.347644 -1.390231 0.215270
N -2.173508 -0.090932 0.064199
N 1.761953 1.801635 0.197103
N -3.018152 0.754736 -0.486374
C 0.317333 -0.208614 -0.079378
C 1.647277 0.367413 0.484732
C -0.884239 0.496511 0.572596
C 2.813456 -0.460485 -0.092396
C -4.259820 0.087316 -0.947651
H 0.260843 -1.292338 0.120319
H 0.289148 -0.059268 -1.176319
H 1.649706 0.218957 1.580366
H -0.878146 0.335334 1.665676
H -0.894022 1.572490 0.354843
H 1.896235 1.994657 -0.802826
H 2.469000 2.284120 0.761367
H 3.693835 -2.210092 0.168577
H -4.040421 -0.703412 -1.692681
H -4.898065 0.865242 -1.390054
H -4.784647 -0.413094 -0.109564


