%chk=000005726.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005726

0 1
 O   0.9179000      0.5315000       1.016200    
 O    1.434000       3.251600      0.6483000    
 O   -1.399400      -2.836700      0.4450000    
 O   -5.000200     -7.3500000E-02 -0.2948000    
 N  -0.9903000     -0.5506000      0.2031000    
 N    3.376200      -1.075100      1.8800000E-02
 N   -3.186200      -1.447200      7.5000003E-02
 N    4.593700     -0.8733000     -0.1225000    
 N    5.713900     -0.6970000     -0.2456000    
 C    2.491000     -0.1125000     -0.6492000    
 C   0.4293000     -0.6519000      0.3715000    
 C    1.168200     -0.7776000     -0.9488000    
 C    2.107800      0.9803000      0.3408000    
 C    1.788000       2.303900     -0.3432000    
 C   -1.548200      0.7051000     -1.5600000E-02
 C   -1.820600      -1.693900      0.2554000    
 C   -2.855200      0.9375000     -0.1879000    
 C   -3.789800     -0.2184000     -0.1449000    
 C   -3.429900       2.297700     -0.4215000    
 H    2.964900      0.2740000      -1.559700    
 H   0.6659000      -1.502400       1.022000    
 H   0.6532000     -0.2222000      -1.742800    
 H    1.251900      -1.818200      -1.278800    
 H    2.872300       1.145800       1.108700    
 H   0.9645000       2.226900      -1.058100    
 H    2.665400       2.684100     -0.8757000    
 H  -0.8710000       1.545800     -5.6000002E-02
 H   -3.800300      -2.256200      0.1093000    
 H   0.6723000       2.896900       1.137600    
 H   -3.950400       2.332600      -1.384100    
 H   -2.656400       3.072800     -0.4338000    
 H   -4.143100       2.552500      0.3692000    


%chk=000005726-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005726

0 1
O 0.982697 0.473986 0.963175
O 1.561554 3.206191 1.051416
O -1.298084 -2.731332 0.903490
O -5.144075 -0.202618 0.093708
N -1.037969 -0.517325 0.117897
N 3.348712 -1.202804 -0.473903
N -3.188787 -1.414996 0.486673
N 4.547987 -1.020184 -0.102541
N 5.677166 -1.057574 0.262291
C 2.525875 -0.003398 -0.859742
C 0.426347 -0.643676 0.153214
C 1.125950 -0.536172 -1.220521
C 2.251895 0.951484 0.337368
C 2.041500 2.418367 -0.078598
C -1.641079 0.684557 -0.272820
C -1.807034 -1.637991 0.537876
C -2.999771 0.879286 -0.311104
C -3.880492 -0.233514 0.085192
C -3.644729 2.178767 -0.723154
H 3.005991 0.530326 -1.703588
H 0.643838 -1.603304 0.650447
H 0.598467 0.178758 -1.875373
H 1.179860 -1.511885 -1.725918
H 3.034597 0.890729 1.115390
H 1.334102 2.474900 -0.937345
H 2.998649 2.877646 -0.380862
H -0.944211 1.487866 -0.525694
H -3.772295 -2.206873 0.776115
H 0.845036 2.682144 1.498881
H -4.318533 2.024751 -1.585251
H -2.890707 2.938090 -0.992158
H -4.273054 2.578098 0.093338


