%chk=000101685.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101685

0 1
 O   -1.742600      0.8961000      -1.046000    
 O   -1.477200       3.683000      1.1700000E-02
 O   -3.808200      -1.104000     -0.5648000    
 N    3.271400     -0.6222000     -0.4243000    
 C   0.6193000      0.5795000     -0.5355000    
 C  -0.4892000       1.623000     -0.7856000    
 C    1.603200      0.8349000      0.5694000    
 C    2.472400     -0.3936000      0.8040000    
 C    1.392300      0.2286000      -1.824900    
 C  -0.2437000     -0.5457000     -9.7099997E-02
 C  -0.6931000       2.562700      0.4180000    
 C    1.569300      -1.610100       1.247900    
 C    2.449000     -0.8738000      -1.615000    
 C   0.1675000      -1.619500      0.6762000    
 C   -1.552200     -0.3351000     -0.4700000    
 C    1.630800       1.988800       1.249800    
 C   0.6363000       3.081600      0.9844000    
 C  -0.7951000      -2.583500      0.9722000    
 C   -2.515900      -1.278500     -0.1941000    
 C    4.301700      -1.642500     -0.2623000    
 C   -2.122800      -2.420600      0.5208000    
 C   -4.673300     -0.4489000      0.3652000    
 H  -0.2834000       2.216800      -1.685200    
 H    3.175100     -0.1830000       1.621100    
 H    1.901200       1.131300      -2.191000    
 H   0.7076000     -8.8799998E-02  -2.622200    
 H   -1.261400       2.055900       1.207400    
 H    1.464100      -1.549600       2.340000    
 H    2.055000      -2.567800       1.036800    
 H    1.959500      -1.853900      -1.557400    
 H    3.088900     -0.8991000      -2.505900    
 H    2.364200       2.144900       2.034600    
 H   0.4277000       3.613800       1.920800    
 H    1.085600       3.825100      0.3143000    
 H  -0.5390000      -3.450800       1.574500    
 H    4.974300      -1.640000      -1.127500    
 H    3.891200      -2.652000     -0.1620000    
 H    4.924000      -1.432200      0.6144000    
 H   -2.858700      -3.182700      0.7682000    
 H  -0.9894000       4.155400     -0.6843000    
 H   -4.747300      -1.027900       1.291100    
 H   -5.667300     -0.3769000     -8.4500000E-02
 H   -4.310600      0.5613000      0.5801000    


%chk=000101685-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101685

0 1
O -1.857041 0.855890 -0.722856
O -1.674018 3.602374 0.569702
O -3.953260 -1.372444 0.079324
N 3.189318 -0.641007 -0.576050
C 0.542723 0.561886 -0.396641
C -0.572784 1.640295 -0.518950
C 1.637879 0.820383 0.619709
C 2.538577 -0.404642 0.752629
C 1.203615 0.248787 -1.778618
C -0.254483 -0.620927 0.129689
C -0.683957 2.528694 0.736422
C 1.724482 -1.646604 1.309381
C 2.221270 -0.901559 -1.668945
C 0.260820 -1.687596 0.873946
C -1.620061 -0.420480 -0.128623
C 1.725691 1.975138 1.322626
C 0.706009 3.090163 1.134639
C -0.683593 -2.671971 1.277679
C -2.565460 -1.397104 0.261696
C 4.297418 -1.610429 -0.542838
C -2.050825 -2.534066 0.952020
C -4.544796 -0.227935 -0.639747
H -0.468460 2.264779 -1.425537
H 3.355899 -0.188796 1.466413
H 1.724777 1.161041 -2.128292
H 0.419909 -0.012635 -2.515179
H -1.088697 1.927045 1.567782
H 1.756936 -1.609073 2.417146
H 2.253328 -2.577873 1.021788
H 1.680059 -1.870045 -1.530276
H 2.788441 -0.983776 -2.615671
H 2.525866 2.119047 2.060596
H 0.584632 3.674026 2.064851
H 1.051503 3.809677 0.358515
H -0.361428 -3.539244 1.865647
H 4.839372 -1.576813 -1.505828
H 3.982543 -2.670895 -0.373444
H 5.007679 -1.335245 0.257865
H -2.778266 -3.290065 1.265251
H -1.382663 4.193187 -0.172098
H -4.360254 0.718637 -0.104542
H -5.622263 -0.448899 -0.675142
H -4.135236 -0.150925 -1.662738


