%chk=000092989.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000092989

0 1
 O   -5.381800     -0.8381000     -0.9206000    
 O  -0.3932000      0.9562000      0.4952000    
 O   0.6086000     -0.2304000      -1.205400    
 O    1.202600       3.304500     -6.4900003E-02
 N   -3.843000     -0.9794000       1.231400    
 C   -4.558100      0.2917000     -0.6013000    
 C   -3.965800     -0.9670000      -1.107500    
 C   -4.107800      0.4254000      0.8296000    
 C   -3.177300      -1.552400      3.4499999E-02
 C   -2.762400       1.161100      0.9319000    
 C   -1.734100      -1.024800      5.2800000E-02
 C   -1.671900      0.5168000      5.2400000E-02
 C   0.6793000      0.5053000     -0.2293000    
 C    1.973300       1.052700      0.3662000    
 C    3.111500      5.7100002E-02  0.2070000    
 C    2.305400       2.421300     -0.2456000    
 C    3.330000     -0.8735000       1.203200    
 C    3.894000      0.1121000     -0.9292000    
 C    4.374300      -1.786600       1.057200    
 C    4.938100     -0.8011000      -1.075300    
 C    5.178200      -1.750600     -8.2099997E-02
 H   -4.598900       1.181900      -1.205400    
 H   -3.553100      -1.040500      -2.099100    
 H   -4.872300      0.8814000       1.464700    
 H   -3.214100      -2.645300      4.7200002E-02
 H   -3.233700      -1.020700       2.046900    
 H   -2.881000       2.210100      0.6325000    
 H   -2.427200       1.187300       1.977600    
 H   -1.199000      -1.423400      0.9252000    
 H   -1.236600      -1.439500     -0.8292000    
 H   -1.815100      0.8811000     -0.9744000    
 H    1.795800       1.199800       1.441200    
 H    2.482800       2.387000      -1.323800    
 H    3.182200       2.866800      0.2360000    
 H    2.707400     -0.9108000       2.092000    
 H    3.727600      0.8121000      -1.738800    
 H   0.4781000       3.000800     -0.6375000    
 H    4.560600      -2.526700       1.830000    
 H    5.560300     -0.7779000      -1.965300    
 H    5.990000      -2.462900     -0.1966000    


%chk=000092989-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000092989

0 1
O -5.462071 -0.625500 -1.426401
O -0.405524 0.567696 0.595699
O 0.656702 -0.733330 -1.022840
O 1.087001 2.739216 1.455166
N -4.480572 -0.244636 1.007500
C -4.344484 0.370976 -1.250481
C -4.058102 -1.096083 -1.136123
C -4.186765 0.948029 0.166764
C -3.738066 -1.353861 0.346201
C -2.691018 1.388177 0.343426
C -2.193348 -1.168045 0.543424
C -1.745593 0.213154 -0.002278
C 0.739486 0.012620 -0.026064
C 1.998265 0.504828 0.692985
C 3.287501 -0.125355 0.184668
C 2.075596 2.077697 0.616670
C 4.224391 -0.635144 1.118713
C 3.618867 -0.144261 -1.194855
C 5.465706 -1.155802 0.689436
C 4.859322 -0.663857 -1.625416
C 5.787804 -1.170446 -0.686736
H -4.108382 0.980876 -2.128389
H -3.585862 -1.696982 -1.919547
H -4.877907 1.776295 0.395526
H -4.076747 -2.335590 0.717012
H -4.263745 -0.124760 2.005416
H -2.446242 2.262022 -0.290939
H -2.542899 1.690468 1.397829
H -1.972735 -1.225167 1.626559
H -1.615208 -1.964338 0.039313
H -1.589172 0.143134 -1.093316
H 1.866187 0.271651 1.767665
H 1.997099 2.400336 -0.444346
H 3.057675 2.391556 1.005200
H 3.980853 -0.625413 2.188701
H 2.899591 0.220548 -1.934717
H 0.211352 2.292128 1.295336
H 6.175922 -1.549426 1.425147
H 5.100182 -0.677723 -2.694329
H 6.748639 -1.574788 -1.024176


