%chk=000054766.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054766

0 1
 O    2.430700       1.057100       2.509600    
 O  -0.7854000      -2.694400      0.8853000    
 O   -2.996300       1.533900      0.7414000    
 O  -0.5457000      -2.599200      -1.414200    
 O   -2.716500       1.552200      -1.555400    
 N    4.125400       1.699100      0.2737000    
 N  -0.7375000      -4.677400     -0.3876000    
 N   -4.560000       2.633000     -0.6375000    
 C    5.046300       1.325700     -0.8049000    
 C    2.851700       1.017700      0.1167000    
 C    1.882500       1.407200       1.239500    
 C    4.437400       1.724200      -2.154400    
 C    5.268600     -0.1895000     -0.7542000    
 C    6.374200       2.059500     -0.5893000    
 C   0.5504000      0.7056000       1.089900    
 C  -0.6231000       1.452100      0.9842000    
 C   0.4960000     -0.6878000       1.056500    
 C  -0.7319000      -1.334600      0.9171000    
 C   -1.851000      0.8054000      0.8449000    
 C   -1.905400     -0.5880000      0.8113000    
 C  -0.6783000      -3.279300     -0.3973000    
 C   -3.378900       1.885400     -0.5735000    
 C  -0.6408000      -5.422500      -1.634700    
 C  -0.8914000      -5.475100      0.8246000    
 C   -5.080900       3.069400      -1.925100    
 C   -5.340300       3.020100      0.5333000    
 H    3.977900       2.708200      0.2721000    
 H    2.994200     -6.3900001E-02  0.1701000    
 H    2.356900       1.259000     -0.8293000    
 H    1.732800       2.494200       1.240000    
 H    3.612000       1.078300      -2.471300    
 H    4.084800       2.762500      -2.150500    
 H    5.194000       1.650200      -2.945700    
 H    4.423000     -0.7716000      -1.135700    
 H    5.501600     -0.5334000      0.2608000    
 H    6.124300     -0.4653000      -1.383500    
 H    6.238500       3.147200     -0.6121000    
 H    6.821100       1.799100      0.3775000    
 H    7.100600       1.801800      -1.368600    
 H  -0.5896000       2.538500       1.009500    
 H    1.398300      -1.285500       1.154500    
 H    3.302900       1.482100       2.576200    
 H   -2.862600      -1.092200      0.7039000    
 H   0.2274000      -6.085600      -1.582100    
 H  -0.5290000      -4.758100      -2.495000    
 H   -1.549800      -6.017800      -1.760600    
 H   -1.804100      -6.071600      0.7371000    
 H  -0.9585000      -4.856300       1.721300    
 H  -2.7799999E-02  -6.140000      0.9173000    
 H   -6.081500       2.648900      -2.060800    
 H   -4.443300       2.743300      -2.750600    
 H   -5.138300       4.161700      -1.930000    
 H   -5.402300       4.111700      0.5668000    
 H   -4.895200       2.662800       1.463900    
 H   -6.345800       2.599900      0.4377000    


%chk=000054766-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054766

0 1
O 2.618883 0.474073 1.889459
O -1.035403 -2.851067 0.496126
O -3.219926 1.376448 0.134979
O 0.870186 -3.224440 -0.867414
O -2.327191 3.329932 -0.879074
N 3.898698 1.773797 -0.015395
N -0.323151 -5.002435 0.099317
N -4.617656 3.112706 -0.413449
C 4.919965 1.259279 -0.997459
C 2.457159 1.550746 -0.293045
C 1.730905 1.293947 1.078297
C 4.646730 1.777821 -2.438375
C 4.916975 -0.289229 -0.974860
C 6.292573 1.779717 -0.505820
C 0.399825 0.598176 0.850354
C -0.761213 1.374154 0.618087
C 0.347992 -0.813054 0.804028
C -0.875326 -1.433908 0.490388
C -1.969047 0.713865 0.308974
C -2.043936 -0.691467 0.235457
C -0.063263 -3.671702 -0.155410
C -3.306850 2.681413 -0.429586
C 0.535038 -6.017296 -0.530878
C -1.420716 -5.491502 0.947415
C -4.927870 4.433296 -0.982911
C -5.749961 2.334355 0.111670
H 4.091521 2.759068 0.216587
H 2.351469 0.640090 -0.906190
H 1.964975 2.383221 -0.835219
H 1.552166 2.274057 1.576481
H 3.658268 1.442937 -2.801786
H 4.669063 2.883881 -2.470351
H 5.410217 1.399432 -3.143026
H 3.946675 -0.711072 -1.291416
H 5.131810 -0.661645 0.042422
H 5.689372 -0.678395 -1.662713
H 6.328246 2.886827 -0.519003
H 6.488547 1.436968 0.525850
H 7.102967 1.409482 -1.157978
H -0.721940 2.464635 0.659054
H 1.251451 -1.387050 1.017568
H 3.531594 0.745127 1.532825
H -2.985933 -1.190349 -0.003557
H 1.035711 -6.633795 0.240302
H 1.298300 -5.510588 -1.139653
H -0.065085 -6.683518 -1.180379
H -2.144035 -6.077340 0.346564
H -1.942273 -4.643661 1.408433
H -1.019021 -6.146895 1.744287
H -5.632970 4.333019 -1.830526
H -3.996504 4.896187 -1.340631
H -5.388387 5.085836 -0.216441
H -6.274728 2.910957 0.897979
H -5.389309 1.391153 0.539755
H -6.473285 2.111705 -0.697310


