%chk=000002097.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002097

0 1
 O   -5.233900     -0.7311000      0.1123000    
 O   -3.271000      -1.849000      0.2946000    
 N    2.471300      0.2938000      0.3099000    
 C   -3.206400      0.5788000      3.4400001E-02
 C   -1.718700      0.5040000      0.1070000    
 C    1.057000      0.3650000      0.2412000    
 C   -1.037600       1.143500       1.142800    
 C   -1.008300     -0.2053000     -0.8613000    
 C   -3.737000       1.254400      -1.246700    
 C   0.3539000       1.073800       1.210100    
 C   0.3832000     -0.2751000     -0.7941000    
 C    3.304600     -0.4095000     -0.6343000    
 C   -3.877100     -0.7932000      0.1647000    
 C    4.744000     -0.3077000     -0.2083000    
 C    5.103100     -0.8922000       1.128400    
 C    5.672900      0.2501000      -1.000500    
 H   -3.571500       1.162700      0.8906000    
 H   -1.575400       1.700400       1.905300    
 H   -1.520400     -0.7091000      -1.676700    
 H   -3.251800       2.224400      -1.402100    
 H   -3.553700      0.6383000      -2.134100    
 H   -4.816600       1.429000      -1.186100    
 H   0.8737000       1.575800       2.021800    
 H   0.9025000     -0.8354000      -1.565600    
 H    2.905800      0.8434000       1.044400    
 H    3.167500      9.7000003E-03  -1.638500    
 H    3.029600      -1.470600     -0.6745000    
 H    4.625600     -0.3382000       1.942200    
 H    4.782400      -1.937700       1.183400    
 H    6.183700     -0.8712000       1.306900    
 H    5.415600      0.6605000      -1.971300    
 H    6.712500      0.3108000     -0.6959000    
 H   -5.643400      -1.618900      0.1924000    


%chk=000002097-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002097

0 1
O -4.277451 -1.089142 1.387943
O -3.993539 -1.663137 -0.841858
N 2.471718 0.505882 0.222582
C -3.328942 0.603615 -0.064418
C -1.795451 0.548353 0.012833
C 1.075930 0.514159 0.127285
C -1.093836 1.306756 0.984019
C -1.036678 -0.229100 -0.897083
C -3.830448 1.251463 -1.380403
C 0.311253 1.296309 1.044618
C 0.371481 -0.248424 -0.851726
C 3.362288 -0.204421 -0.706495
C -3.888425 -0.809872 0.068241
C 4.757289 -0.367470 -0.109374
C 4.859859 -1.236980 1.130204
C 5.833326 0.228781 -0.686879
H -3.698241 1.181608 0.800420
H -1.655176 1.911932 1.706698
H -1.553196 -0.834737 -1.651603
H -3.401619 2.262928 -1.484728
H -3.522795 0.648129 -2.251084
H -4.932836 1.331157 -1.392618
H 0.828362 1.888195 1.810822
H 0.918544 -0.849074 -1.584973
H 2.906416 1.222774 0.804769
H 3.428826 0.311840 -1.689618
H 2.935324 -1.210740 -0.895054
H 4.156823 -0.898116 1.913906
H 4.583000 -2.283638 0.894511
H 5.881186 -1.236620 1.546653
H 5.733589 0.846692 -1.587468
H 6.844000 0.110601 -0.279394
H -4.584481 -2.035502 1.441673


