%chk=000101186.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101186

0 1
 O  -8.6199999E-02  0.8014000     -0.1547000    
 O   -1.531600       2.106300       1.084900    
 O   -2.218600      -1.375200       1.256300    
 O   -4.355900     -0.8806000      0.6848000    
 N   -3.558400     -0.8001000      -1.962800    
 C   -2.568100     -0.4827000     -0.9315000    
 C   -2.299000       1.021500     -0.9328000    
 C   0.9586000       1.055800      0.7894000    
 C   -1.283100       1.393300      0.1211000    
 C    2.201800      0.3405000      0.3486000    
 C   -3.165900     -0.9137000      0.3978000    
 C    2.437100     -0.9603000      0.7797000    
 C    3.107600      0.9848000     -0.4867000    
 C    3.592800      -1.625300      0.3702000    
 C    4.263100      0.3197000     -0.8963000    
 C    4.505900     -0.9854000     -0.4679000    
 H   -1.660900      -1.063600      -1.128900    
 H   -1.926400       1.364800      -1.905200    
 H   -3.215600       1.587200     -0.7212000    
 H   0.6523000      0.7061000       1.783300    
 H    1.144800       2.135200      0.8542000    
 H   -4.426500     -0.2964000      -1.784800    
 H   -3.785000      -1.793300      -1.932800    
 H    1.731200      -1.469100       1.430500    
 H    2.927500       2.000500     -0.8282000    
 H    3.781300      -2.641700      0.7031000    
 H    4.973800      0.8177000      -1.549400    
 H    5.405500      -1.503300     -0.7871000    
 H   -2.607500      -1.660700       2.110400    


%chk=000101186-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101186

0 1
O -0.170502 1.354905 -0.369491
O -1.539466 1.890622 1.453019
O -1.533642 -1.498514 1.121981
O -3.830194 -1.693760 0.819177
N -3.460416 -0.881558 -1.949218
C -2.474101 -0.546184 -0.920380
C -2.515458 0.993803 -0.636794
C 1.057229 1.705973 0.417297
C -1.403095 1.468237 0.282877
C 2.120072 0.660495 0.166125
C -2.720087 -1.302652 0.400385
C 1.844500 -0.712946 0.393811
C 3.411827 1.044968 -0.268145
C 2.850978 -1.681509 0.191331
C 4.422396 0.075222 -0.462211
C 4.144078 -1.291107 -0.232938
H -1.462494 -0.791387 -1.284202
H -2.418154 1.478027 -1.622470
H -3.484978 1.270942 -0.189303
H 0.759390 1.767837 1.480625
H 1.379684 2.704380 0.074854
H -4.427712 -0.855996 -1.607033
H -3.258805 -1.748304 -2.456077
H 0.840263 -1.016315 0.712115
H 3.629675 2.103562 -0.457393
H 2.630477 -2.740954 0.365267
H 5.419016 0.384277 -0.796630
H 4.924499 -2.044858 -0.386717
H -1.740380 -1.913806 2.004137


