%chk=000124422.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124422

0 1
 O   -5.135300       2.464600       2.241400    
 O   -7.220100       2.753300       1.418300    
 O   -3.669800       1.858400      -2.167700    
 N   -4.164300       1.421900      5.5799998E-02
 N    2.118200      0.1294000     -0.1263000    
 N   -6.440000      -2.877700     -0.3713000    
 N   -8.288600      -2.103300      0.6827000    
 N    5.258900      0.3031000     -0.6126000    
 N   -7.488100      -3.711700     -0.4233000    
 N    5.850700      -2.206500      0.3924000    
 N   -8.605100      -3.293800      0.1885000    
 N    8.004900      -1.516500      0.8874000    
 N    8.724300      0.7200000      0.4070000    
 N    7.216400       2.244100     -0.5855000    
 N    10.18890     -0.8198000       1.390100    
 C   -5.572700       1.716500     -2.2600001E-02
 C   -6.383500      0.4608000     -0.3617000    
 C   -6.242100     -0.6370000      0.7017000    
 C   -6.073600       2.343000       1.271400    
 C   -3.318700       1.519300      -1.040700    
 C   -1.898200       1.155500     -0.8018000    
 C   -6.989800      -1.883900      0.3314000    
 C   0.7692000      0.4732000     -0.3531000    
 C   -1.114500      0.6771000      -1.851900    
 C   -1.348100       1.292700      0.4727000    
 C    2.977500     -0.3652000      -1.157000    
 C   0.2191000      0.3359000      -1.627600    
 C  -1.4400000E-02  0.9516000      0.6971000    
 C    4.340500     -0.6755000     -0.6032000    
 C    6.475300      1.0700000E-02 -0.1135000    
 C    4.633600      -1.915700     -0.1063000    
 C    6.788000      -1.251000      0.3968000    
 C    7.490100      0.9478000     -7.7100001E-02
 C    8.911400     -0.5215000      0.8689000    
 H   -5.717400       2.466900     -0.8091000    
 H   -6.057500      6.9300003E-02  -1.334300    
 H   -7.444000      0.7229000     -0.4714000    
 H   -6.622100     -0.2839000       1.667500    
 H   -5.187500     -0.8969000      0.8516000    
 H   -3.817900       1.070400      0.9421000    
 H   -1.526400      0.5595000      -2.850800    
 H   -1.912900       1.691000       1.310200    
 H    3.094000      0.3811000      -1.953100    
 H    2.568300      -1.274300      -1.615600    
 H   0.7930000     -3.1300001E-02  -2.473000    
 H   0.4049000       1.069700       1.693100    
 H    2.474900      0.2541000      0.8151000    
 H   -5.494400       2.893700       3.047100    
 H    3.913100      -2.724300     -8.3999999E-02
 H   -7.438900      -4.607100     -0.8974000    
 H    7.972300       2.917200     -0.5609000    
 H    6.510600       2.337000      -1.305800    
 H    10.90210     -0.1039000       1.397900    
 H    10.37490      -1.745400       1.750700    


%chk=000124422-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000124422

0 1
O -5.562768 2.492383 2.112974
O -7.550401 2.863038 0.967815
O -3.907744 1.155770 -2.185180
N -4.311753 1.406867 0.078967
N 2.182000 0.469929 -0.054736
N -6.571950 -3.203781 0.356132
N -8.543098 -2.049908 0.091350
N 5.605393 0.580220 -0.685697
N -7.625326 -4.012739 0.018110
N 5.708468 -1.999786 0.586434
N -8.834881 -3.351430 -0.152254
N 8.037692 -1.708022 0.969275
N 9.170455 0.361052 0.206977
N 7.962515 2.057845 -0.892871
N 10.317488 -1.347542 1.301835
C -5.740941 1.630094 -0.164136
C -6.530730 0.313006 -0.449738
C -6.465807 -0.698723 0.721427
C -6.396325 2.393461 0.979864
C -3.451963 1.191153 -0.992077
C -1.998979 1.009323 -0.686114
C -7.177749 -1.975223 0.396052
C 0.820108 0.654832 -0.283905
C -1.109243 0.890024 -1.784901
C -1.449030 0.946880 0.625455
C 3.186994 0.337940 -1.118390
C 0.272275 0.722016 -1.601191
C -0.072031 0.772687 0.826783
C 4.495127 -0.188934 -0.562213
C 6.771670 0.065690 -0.182144
C 4.574893 -1.475087 0.077444
C 6.858939 -1.221923 0.467081
C 8.006314 0.837141 -0.285413
C 9.121615 -0.891659 0.810835
H -5.844460 2.249608 -1.077281
H -6.088216 -0.126832 -1.360203
H -7.581899 0.571448 -0.668777
H -6.925720 -0.254352 1.625487
H -5.414443 -0.936234 0.958598
H -3.967279 1.546889 1.028830
H -1.538874 0.939650 -2.791061
H -2.087089 1.013931 1.515047
H 3.389940 1.302248 -1.628036
H 2.801195 -0.366358 -1.883587
H 0.924688 0.657186 -2.477088
H 0.327195 0.714203 1.847016
H 2.526365 0.579859 0.899418
H -6.037603 2.990445 2.831579
H 3.671012 -2.089708 0.166692
H -7.529149 -5.020062 -0.105315
H 8.811018 2.612924 -0.977311
H 7.065874 2.384891 -1.253430
H 11.149485 -0.771971 1.203426
H 10.345933 -2.258860 1.752443


