%chk=000044444.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044444

0 1
 O  -0.5960000      0.7420000      0.7145000    
 O    2.128500       2.809100     -0.5298000    
 N    2.675300     -3.0000000E-03 -0.4478000    
 N    3.778400      -1.827500      -1.350800    
 N    3.956300      -1.522800      0.9010000    
 C    1.448400       1.956100      0.3915000    
 C   0.1212000       1.532000     -0.2289000    
 C    2.345800      0.7743000      0.7512000    
 C   -1.810900      0.2553000      0.3120000    
 C   -2.045600      -1.115800      0.2734000    
 C   -2.808300       1.152700     -5.7999998E-02
 C   -3.289400      -1.593900     -0.1389000    
 C  -0.9837000      -2.088500      0.6678000    
 C   -4.052000      0.6744000     -0.4701000    
 C   -4.292500     -0.6987000     -0.5106000    
 C    3.424400      -1.045900     -0.2764000    
 H    1.250500       2.534000       1.302200    
 H  -0.4426000       2.434700     -0.4936000    
 H   0.2802000      0.9675000      -1.156400    
 H    3.272300       1.163400       1.192000    
 H    1.843900      0.1439000       1.495000    
 H   -2.646900       2.225900     -1.5300000E-02
 H   -3.493300      -2.660800     -0.1762000    
 H    2.958000       3.092500     -0.1090000    
 H  -0.1138000      -1.988100      1.0100000E-02
 H  -0.6722000      -1.913000       1.702800    
 H   -1.331500      -3.124800      0.5999000    
 H   -4.834700       1.371300     -0.7553000    
 H   -5.261400      -1.070900     -0.8306000    
 H    3.461700      -1.603900      -2.287900    
 H    4.363100      -2.648600      -1.239500    
 H    4.533400      -2.356900      0.9133000    
 H    3.796800      -1.065600       1.791600    


%chk=000044444-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044444

0 1
O -0.571584 0.403964 0.753552
O 2.180497 2.771830 0.020377
N 3.072581 0.400940 -0.612226
N 4.590477 -0.537597 -2.136756
N 4.071465 -1.758458 -0.197080
C 1.496273 1.677015 0.704789
C 0.181082 1.395250 -0.041018
C 2.429306 0.434489 0.718238
C -1.825083 -0.013266 0.272565
C -2.501976 -0.966351 1.091391
C -2.401764 0.458789 -0.931002
C -3.765714 -1.427224 0.659860
C -1.864555 -1.449618 2.378180
C -3.668818 -0.022863 -1.334150
C -4.355747 -0.967033 -0.542869
C 3.859879 -0.596434 -0.945932
H 1.272586 2.006833 1.734028
H -0.397754 2.333938 -0.132967
H 0.400157 0.991526 -1.050325
H 3.182802 0.553174 1.526742
H 1.809529 -0.461159 0.943139
H -1.879763 1.192168 -1.552274
H -4.296661 -2.159217 1.280815
H 2.744905 2.280892 -0.659379
H -0.895612 -1.946403 2.182592
H -1.647461 -0.604329 3.056869
H -2.523802 -2.162492 2.902498
H -4.112948 0.344940 -2.266017
H -5.337641 -1.340818 -0.852102
H 4.489526 0.320508 -2.674742
H 4.820881 -1.392064 -2.639789
H 4.887952 -2.343585 -0.354956
H 3.520383 -1.916946 0.641151


