%chk=000128442.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128442

0 1
 O   0.9657000      -2.311800     -0.8733000    
 O    2.988600       1.806400     -2.2200000E-02
 O    3.178700      -1.297200       1.596100    
 O    5.058000      -1.972100      0.5190000    
 N    2.031000     -0.2658000     -0.5192000    
 N   -3.983300      -1.411200     -0.5983000    
 N   -4.360800      -1.921200      0.4792000    
 N   -4.710500      -2.390000       1.459300    
 C  -0.4917000      0.9054000     -0.1764000    
 C  -0.4125000     -0.4622000     -0.4737000    
 C   0.6530000       1.701100     -2.8100001E-02
 C   -1.768100       1.501400     -1.8500000E-02
 C   0.9089000      -1.105500     -0.6435000    
 C    1.996200       1.100800     -0.1885000    
 C   -1.573700      -1.232900     -0.6134000    
 C   0.5425000       3.064800      0.2715000    
 C   -2.921900      0.7161000     -0.1625000    
 C    3.341400     -0.8632000     -0.7530000    
 C   -1.861900       2.868900      0.2806000    
 C   -2.824000     -0.6418000     -0.4579000    
 C  -0.7136000       3.644300      0.4246000    
 C    3.957800      -1.434100      0.4981000    
 H   -1.513900      -2.293700     -0.8454000    
 H    1.422100       3.692200      0.3885000    
 H   -3.906200       1.166800     -4.4000000E-02
 H    4.024900     -0.1046000      -1.148300    
 H    3.249400      -1.674500      -1.482700    
 H   -2.833000       3.343700      0.4053000    
 H  -0.7991000       4.701900      0.6566000    
 H    3.601100      -1.676800       2.396000    


%chk=000128442-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128442

0 1
O 0.982261 -2.308828 -0.600122
O 3.090126 1.848068 -0.444322
O 3.138441 -1.294725 1.669746
O 4.704738 -2.518650 0.462201
N 2.005516 -0.219742 -0.533834
N -4.110126 -1.238807 0.102940
N -4.146520 -2.499902 -0.024016
N -4.401447 -3.653812 -0.113665
C -0.504137 1.042335 -0.092176
C -0.446445 -0.379222 -0.247368
C 0.683270 1.837414 -0.151388
C -1.782677 1.676354 0.128117
C 0.859167 -1.056483 -0.468527
C 2.006156 1.199296 -0.377899
C -1.609242 -1.154581 -0.187897
C 0.608177 3.230319 0.005645
C -2.957786 0.869691 0.184424
C 3.300936 -0.892355 -0.722939
C -1.824815 3.102045 0.283400
C -2.873645 -0.523541 0.028942
C -0.650689 3.861034 0.223056
C 3.792099 -1.670235 0.494773
H -1.519221 -2.240565 -0.308932
H 1.534016 3.812356 -0.043248
H -3.937441 1.328960 0.350239
H 4.045294 -0.110110 -0.954882
H 3.243694 -1.604959 -1.560575
H -2.791688 3.590139 0.450735
H -0.694722 4.947977 0.343440
H 3.501807 -1.824271 2.430030


