%chk=000128194.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128194

0 1
 O    2.236500      0.6313000      0.7775000    
 O    5.050800     -0.3474000      -1.220500    
 O   0.9746000      -1.217800      5.2400000E-02
 O    4.381800      -1.429000       1.213200    
 O  -0.1888000     -0.6253000      0.7018000    
 O    2.667800       3.242900     -0.1971000    
 O   -1.278200      -1.713400      -1.024800    
 N   -3.659400     -0.8667000     -0.1778000    
 N   -4.928000       1.137900      0.1258000    
 C    3.699700     -0.3212000     -0.8122000    
 C    3.354000      0.9580000     -6.7699999E-02
 C    3.362300      -1.378000      0.2202000    
 C    2.092000     -0.8020000      0.8286000    
 C    2.981100       2.107500     -0.9872000    
 C   -2.513400     -0.4324000      0.5910000    
 C   -2.474100       1.092400      0.5719000    
 C   -3.837700       1.652000      0.9703000    
 C   -1.279500      -1.009000     -2.4300000E-02
 C   -4.761700     -5.4800000E-02 -0.3507000    
 C   -5.879700     -0.6250000      -1.190500    
 H    3.062200     -0.4463000      -1.695600    
 H    4.171400       1.274400      0.5927000    
 H    3.237500      -2.376600     -0.2090000    
 H    1.954900      -1.107500       1.871900    
 H    2.089600       1.867700      -1.575300    
 H    3.797100       2.363800      -1.669600    
 H   -2.611700     -0.8145000       1.613200    
 H    5.608300     -0.1703000     -0.4442000    
 H    5.172100      -1.813400      0.7973000    
 H   -2.212000       1.453800     -0.4319000    
 H   -1.704600       1.471300       1.254600    
 H   -4.058900       1.420400       2.018700    
 H   -3.815900       2.743400      0.8782000    
 H   -3.657600      -1.812400     -0.5500000    
 H    3.466800       3.484400      0.3018000    
 H   -5.505000     -0.8386000      -2.195700    
 H   -6.712500      7.9999998E-02  -1.262000    
 H   -6.236500      -1.554500     -0.7376000    


%chk=000128194-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128194

0 1
O 1.864993 0.689928 0.649097
O 4.955030 -0.137376 -1.152328
O 1.318023 -1.692107 0.745567
O 4.631261 -0.303728 1.491921
O -0.118771 -1.343969 1.151981
O 1.168305 2.440699 -1.758849
O -0.539071 -1.068525 -1.158717
N -3.164151 -0.421628 -0.651528
N -4.647077 1.064374 0.547420
C 3.607570 -0.390673 -0.682300
C 2.736691 0.896382 -0.559111
C 3.574127 -0.998293 0.749416
C 2.172285 -0.571809 1.250122
C 1.903099 1.173770 -1.812280
C -2.348638 -0.774624 0.513240
C -2.419894 0.365120 1.568892
C -3.906735 0.735364 1.794596
C -0.914720 -1.057492 0.024695
C -4.217064 0.504486 -0.561949
C -4.894865 0.818391 -1.880468
H 3.154819 -1.099175 -1.395089
H 3.386400 1.760399 -0.315319
H 3.712961 -2.093288 0.760203
H 2.037480 -0.482671 2.340646
H 1.128619 0.399686 -1.930729
H 2.590083 1.143802 -2.687060
H -2.709827 -1.713998 0.984032
H 5.479300 0.160616 -0.359062
H 4.894271 -0.813767 2.295406
H -1.872003 1.244330 1.183020
H -1.939458 0.042018 2.507692
H -4.429370 -0.095150 2.315753
H -3.970414 1.614079 2.461643
H -2.783387 -0.661814 -1.570049
H 1.811819 3.188718 -1.667085
H -4.175314 1.233391 -2.611674
H -5.686808 1.558987 -1.699578
H -5.344269 -0.089352 -2.324767


