%chk=000125244.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125244

0 1
 O    3.439200       1.883100     -0.6869000    
 O    5.078100      0.3994000      0.2723000    
 O   -1.035900     -0.3188000      1.4300000E-02
 O  -0.5207000      -2.559400     -0.2613000    
 O   -2.011600       2.448000      0.4039000    
 N   -4.500600     -0.1463000     -9.3300000E-02
 N   -2.965500      -1.741500     -0.2675000    
 N   -4.267500       2.684300      0.3303000    
 C    2.899800      0.6922000     -0.3087000    
 C    3.835700     -0.1550000      0.2388000    
 C    1.209000     -0.9464000      7.8999996E-03
 C    1.576000      0.3255000     -0.4383000    
 C    3.499400      -1.415800      0.6873000    
 C    2.165300      -1.812000      0.5675000    
 C    4.819400       1.690700     -0.3152000    
 C  -0.1745000      -1.380200     -0.1075000    
 C   -2.377100     -0.5280000     -6.6799998E-02
 C   -3.293700      0.4792000      4.5000002E-02
 C   -4.253300      -1.478000     -0.2788000    
 C   -3.121500       1.879400      0.2571000    
 H   0.8653000       1.012700     -0.8850000    
 H    4.239800      -2.080000       1.118500    
 H    1.878600      -2.800900      0.9175000    
 H    5.100000       2.467000      0.4059000    
 H    5.442300       1.800100      -1.210400    
 H   -5.414000      0.2862000     -6.5200001E-02
 H   -5.049000      -2.196500     -0.4149000    
 H   -5.209900       2.322100      0.2327000    
 H   -4.183000       3.683200      0.4875000    


%chk=000125244-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125244

0 1
O 3.859159 1.153404 1.904512
O 5.211992 0.389898 0.071639
O -1.027950 -0.028168 0.871423
O -0.964745 -1.123210 -1.211289
O -2.260009 1.769392 -1.577681
N -4.602918 0.026011 0.617933
N -3.010922 -0.633605 2.080876
N -4.260205 0.745313 -2.211767
C 3.053999 0.531818 0.917378
C 3.856131 0.085540 -0.158969
C 1.099285 -0.301227 -0.194433
C 1.674441 0.357778 0.936682
C 3.309697 -0.559132 -1.274124
C 1.907058 -0.747760 -1.274828
C 5.254343 1.055939 1.407630
C -0.357318 -0.544722 -0.287876
C -2.415699 -0.097420 0.947172
C -3.368727 0.325945 0.005457
C -4.338509 -0.528974 1.860507
C -3.224327 0.996299 -1.305754
H 1.049724 0.700283 1.762525
H 3.938067 -0.896379 -2.101431
H 1.416294 -1.242248 -2.118350
H 5.843949 0.427933 2.097530
H 5.668352 2.070662 1.284683
H -5.516599 0.290049 0.248888
H -5.113736 -0.828701 2.560954
H -4.814702 -0.109229 -2.153389
H -4.196025 1.208810 -3.119199


