%chk=000128712.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128712

0 1
 O  -0.7640000      -2.488400       1.179200    
 O   -2.166100       2.980100     -0.3669000    
 O  -0.5049000       1.666500      0.2109000    
 N    2.090700     -0.8987000     -0.5524000    
 N   -2.235000     -0.5449000     -0.3641000    
 N   -3.874800      0.8150000      0.1951000    
 N   -1.724900       1.830200     -7.9400003E-02
 C    3.238300     -0.4044000      0.1750000    
 C    3.407800      -1.405900     -0.9150000    
 C    3.747700      0.9962000     -3.7599999E-02
 C    1.328700      -1.905800      0.1671000    
 C  -7.9099998E-02  -1.417600      0.5252000    
 C    3.445500       1.874800       1.175400    
 C    5.246900      0.9907000     -0.3334000    
 C  -0.8921000      -1.012900     -0.7110000    
 C   -2.592500      0.7319000     -8.2099997E-02
 C   -3.331100      -1.336100     -0.2677000    
 C   -4.341100     -0.4707000      8.1699997E-02
 H    3.416200     -0.7568000       1.185400    
 H    3.759600      -1.090800      -1.888300    
 H    3.668900      -2.420800     -0.6419000    
 H    3.239800       1.440800     -0.9041000    
 H    1.817100      -2.260300       1.086200    
 H    1.229800      -2.802200     -0.4620000    
 H  -1.5799999E-02 -0.5977000       1.247400    
 H    3.952000       1.503200       2.073200    
 H    3.771000       2.905900       1.003000    
 H    2.370300       1.889000       1.384500    
 H    5.808500      0.5155000      0.4787000    
 H    5.623500       2.012100     -0.4545000    
 H    5.473200      0.4456000      -1.255300    
 H   -1.041000      -1.882200      -1.365400    
 H  -0.4083000     -0.2444000      -1.320800    
 H  -0.8225000      -3.233400      0.5569000    
 H   -3.314400      -2.402400     -0.4449000    
 H   -5.380200     -0.7082000      0.2570000    


%chk=000128712-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128712

0 1
O -0.766182 -2.467535 1.303635
O -2.102549 3.163990 0.369193
O -0.340123 1.748077 0.007681
N 2.172839 -1.122897 -0.679330
N -2.126335 -0.422243 -0.318970
N -3.834141 0.951442 0.353546
N -1.615798 1.996002 0.153850
C 3.363177 -0.532939 0.057422
C 3.573710 -1.604143 -0.998030
C 3.722732 0.928788 -0.186731
C 1.341733 -2.102337 0.069126
C 0.001671 -1.481137 0.521568
C 2.954472 1.859307 0.779482
C 5.254273 1.119479 -0.053461
C -0.804412 -0.974384 -0.697030
C -2.515889 0.870955 0.068839
C -3.283892 -1.187419 -0.254033
C -4.321022 -0.330475 0.156264
H 3.482609 -0.865301 1.103139
H 3.944635 -1.326074 -1.990515
H 3.861538 -2.609626 -0.659232
H 3.420731 1.172318 -1.225235
H 1.847321 -2.520805 0.971079
H 1.125507 -2.953138 -0.614361
H 0.171817 -0.648457 1.222006
H 3.209375 1.625858 1.832244
H 3.221722 2.916771 0.599088
H 1.863556 1.765157 0.651216
H 5.593896 0.886763 0.974387
H 5.535098 2.166733 -0.267887
H 5.808351 0.464862 -0.751640
H -0.992224 -1.814300 -1.392791
H -0.204319 -0.212028 -1.214207
H -0.769228 -3.332725 0.816420
H -3.278543 -2.246759 -0.493998
H -5.368405 -0.568880 0.322364


