%chk=000093380.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093380

0 1
 O   0.5928000       1.776500      0.6234000    
 O    2.955000      0.3304000      0.3418000    
 O   -3.359300      -2.514400     -3.4899998E-02
 O   -1.213600      -2.083300      0.1363000    
 N   -1.860500      0.6537000     -0.4176000    
 N   -3.797800      0.2075000      0.5325000    
 N   -2.410400      -1.682700      5.3300001E-02
 C  -0.5446000      0.4473000      -1.022300    
 C   0.5835000      0.4857000      1.0500000E-02
 C    1.938500      0.2563000     -0.6520000    
 C   -2.686600     -0.3107000      5.8499999E-02
 C   -2.457000       1.859500     -0.2490000    
 C   -3.661300       1.560000      0.3432000    
 C    4.185700      0.1174000     -0.1828000    
 C    5.187400     -0.4310000      0.5104000    
 C    6.548300     -0.6723000     -5.1399998E-02
 H  -0.5620000     -0.4819000      -1.599800    
 H  -0.4200000       1.264400      -1.745500    
 H   0.4403000     -0.2435000      0.8146000    
 H    2.113400       1.037000      -1.404300    
 H    1.957100     -0.7278000      -1.137200    
 H   -2.005200       2.795000     -0.5483000    
 H  -0.1492000       1.812300       1.250500    
 H   -4.436900       2.249500      0.6431000    
 H    4.301500      0.4367000      -1.209800    
 H    5.019900     -0.7289000       1.542000    
 H    7.295400     -0.1289000      0.5350000    
 H    6.786000      -1.739500     -7.1000000E-03
 H    6.630200     -0.3475000      -1.093600    


%chk=000093380-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093380

0 1
O 0.696921 1.793275 0.434264
O 2.861848 0.133493 0.197927
O -3.648030 -2.527229 0.004907
O -1.466468 -2.121110 -0.561334
N -1.944227 0.670772 -0.393814
N -3.938005 0.210840 0.632473
N -2.661357 -1.731018 -0.193637
C -0.652142 0.542018 -1.103701
C 0.525399 0.446934 -0.124261
C 1.812386 -0.007060 -0.826768
C -2.861161 -0.313884 0.009233
C -2.486274 1.880424 0.020638
C -3.710142 1.579298 0.646691
C 4.187786 -0.042827 -0.261556
C 5.197548 -0.322658 0.596050
C 6.643047 -0.447348 0.170373
H -0.688548 -0.349843 -1.745056
H -0.518553 1.445360 -1.723717
H 0.292682 -0.282506 0.677608
H 2.046088 0.644722 -1.695721
H 1.731313 -1.061874 -1.155029
H -1.957686 2.816499 -0.136097
H 1.541131 1.784209 0.957942
H -4.419105 2.263882 1.105002
H 4.339467 0.099288 -1.342702
H 4.957002 -0.460039 1.658464
H 7.278778 0.302617 0.679704
H 7.049811 -1.443495 0.430606
H 6.761092 -0.305938 -0.918989


