%chk=000168681.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168681

0 1
 O   6.3000000E-03   2.871200     -0.2926000    
 O  -1.0000000E-03   1.348000      -1.988300    
 O   -3.171000       1.044700     -0.4030000    
 O    3.171400       1.042200     -0.4092000    
 N  -3.0000000E-03  -2.128200     -0.3857000    
 C   8.9999998E-04  0.5986000      0.3132000    
 C   -1.273200     -0.2116000      0.1692000    
 C    1.274700     -0.2144000      0.1660000    
 C   -1.230700      -1.514700     -0.1887000    
 C    1.227700      -1.520800     -0.1815000    
 C   8.9999998E-04   1.612500     -0.7952000    
 C   -2.532000      0.4813000      0.4843000    
 C    2.535500      0.4762000      0.4786000    
 C   -2.424900      -2.404600     -0.4021000    
 C    2.418700      -2.416700     -0.3866000    
 C   -3.004700      0.4657000       1.913100    
 C    3.004500      0.4705000       1.908600    
 H   2.7000001E-03   1.092300       1.293200    
 H  -4.4000000E-03  -3.106600     -0.6518000    
 H   -2.420500      -2.805400      -1.421500    
 H   -3.375300      -1.882600     -0.2596000    
 H   -2.400300      -3.245000      0.2997000    
 H    3.370800      -1.897700     -0.2442000    
 H    2.415600      -2.823300      -1.403700    
 H    2.388500      -3.253000      0.3199000    
 H   -2.301000     -7.3600002E-02   2.553600    
 H   -3.976200     -3.2400001E-02   1.965500    
 H   -3.086800       1.493700       2.275600    
 H    2.317100     -9.3900003E-02   2.545100    
 H    3.053500       1.499200       2.274900    
 H    3.991000      2.7999999E-03   1.961900    
 H   7.7000000E-03   3.548700      -1.001900    


%chk=000168681-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168681

0 1
O -0.527673 2.588011 -0.249231
O 0.493178 1.200901 -1.806847
O -3.627844 -0.595289 0.837028
O 3.632338 -0.767263 0.997648
N 0.004406 -2.089846 -0.866654
C 0.042789 0.342336 0.500629
C -1.257837 -0.477326 0.383295
C 1.291619 -0.537897 0.430353
C -1.231633 -1.616762 -0.415180
C 1.243357 -1.675663 -0.364840
C 0.059285 1.373376 -0.649937
C -2.501306 -0.032946 1.054479
C 2.542579 -0.107968 1.090161
C -2.418511 -2.463621 -0.808424
C 2.405545 -2.568606 -0.724655
C -2.423608 1.121107 2.053334
C 2.519451 1.179995 1.918087
H 0.024541 0.915938 1.438402
H -0.001757 -2.899857 -1.489419
H -3.188035 -1.855177 -1.309665
H -2.918286 -2.878798 0.083557
H -2.109461 -3.293353 -1.471966
H 2.818605 -3.059174 0.173311
H 3.238139 -1.978713 -1.140019
H 2.099125 -3.342579 -1.453583
H -1.732314 0.885532 2.885905
H -3.430269 1.289835 2.465045
H -2.061176 2.046689 1.570949
H 1.844763 1.081829 2.790610
H 2.170742 2.048667 1.328861
H 3.539520 1.377350 2.280820
H -0.557772 3.212370 -1.025254


