%chk=000050404.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050404

0 1
 O  -0.6835000      0.7630000      0.1553000    
 O    1.959700     -0.1438000      0.3018000    
 O    4.002200      0.3523000     -0.6373000    
 N    3.363900      -1.821900     -0.2472000    
 C   -3.022500      0.2287000     -0.2540000    
 C   -2.823400      -1.292400     -0.4002000    
 C   -1.998300      0.8888000      0.6788000    
 C   -2.976300      0.8800000      -1.641000    
 C   -2.924900      -2.048000      0.9169000    
 C   0.2725000       1.411900      0.9832000    
 C    1.650900       1.242900      0.3736000    
 C    3.180000     -0.4615000     -0.2299000    
 H   -4.020600      0.4042000      0.1679000    
 H   -3.586800      -1.687400      -1.082200    
 H   -1.851200      -1.507000     -0.8604000    
 H   -2.044500      0.4489000       1.680900    
 H   -2.242900       1.954100      0.7773000    
 H   -2.017400      0.7046000      -2.140100    
 H   -3.128900       1.962000      -1.567400    
 H   -3.766900      0.4767000      -2.283100    
 H   -2.086900      -1.815500       1.580300    
 H   -3.858700      -1.811400       1.436500    
 H   -2.905200      -3.126900      0.7313000    
 H   3.1500001E-02   2.477100       1.068100    
 H   0.2493000      0.9532000       1.978600    
 H    2.396200       1.757500      0.9900000    
 H    1.659800       1.659000     -0.6405000    
 H    2.652600      -2.455600      0.1017000    
 H    4.216500      -2.235400     -0.6095000    


%chk=000050404-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050404

0 1
O -0.752644 0.801970 0.063285
O 2.020452 -0.244669 0.343104
O 4.150982 0.264561 -0.536153
N 3.536086 -1.917157 0.085271
C -3.120361 0.270376 -0.216358
C -2.826053 -1.231931 -0.479986
C -2.069640 0.917115 0.705746
C -3.239193 1.053136 -1.545832
C -2.822108 -2.115236 0.786761
C 0.313730 1.395057 0.866292
C 1.637135 1.175600 0.155206
C 3.323619 -0.565622 -0.082806
H -4.089438 0.341040 0.325318
H -3.591872 -1.611255 -1.186164
H -1.848126 -1.311403 -0.991003
H -2.045195 0.414573 1.698049
H -2.314956 1.991843 0.870557
H -2.276174 1.035249 -2.085515
H -3.511008 2.110974 -1.368339
H -4.012931 0.607330 -2.197649
H -1.986135 -1.853430 1.460614
H -3.766450 -2.008104 1.354755
H -2.708829 -3.182687 0.521792
H 0.143764 2.490547 0.981013
H 0.346450 0.940588 1.880906
H 2.430212 1.820443 0.575593
H 1.541101 1.387093 -0.924565
H 2.793882 -2.514754 0.440330
H 4.439901 -2.303147 -0.170823


