%chk=000071696.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071696

0 1
 O    2.517500      0.5879000      0.3822000    
 O   -6.336300      -1.018100       1.554600    
 N    6.110900     -0.2442000      0.5137000    
 N   -4.380100      -1.445400      0.2973000    
 N   -2.080100     -0.8319000      0.1829000    
 C    6.639500      0.8409000     -0.3248000    
 C    7.015500     -0.5389000       1.633800    
 C    8.013800      0.4810000     -0.8911000    
 C    8.402200     -0.9442000       1.131400    
 C    8.995300      0.1237000      0.2195000    
 C    4.777200      9.5399998E-02   1.009000    
 C   -3.378800     -0.6462000     -0.4083000    
 C   -3.880300      0.7444000     -0.1816000    
 C   -5.043100      0.7226000      0.5910000    
 C    3.805400      0.2757000     -0.1464000    
 C   -5.368400     -0.6735000      0.9014000    
 C   -4.346700      -2.893300      0.3611000    
 C   -3.363200       1.948700     -0.6249000    
 C  -0.8876000     -0.5141000     -0.4532000    
 C   -5.722100       1.870300      0.9525000    
 C   -5.107300      -3.517200     -0.7908000    
 C    1.437200      0.2035000     -0.3508000    
 C   0.2386000     -0.1147000      0.2878000    
 C   -4.031300       3.125800     -0.2717000    
 C   -5.199900       3.086600      0.5107000    
 C  -0.7774000     -0.5852000      -1.853100    
 C    1.528400      0.1274000      -1.740600    
 C   0.4212000     -0.2669000      -2.491700    
 H    6.705900       1.779600      0.2408000    
 H    6.012900       1.025100      -1.201200    
 H    7.105200      0.3279000       2.302000    
 H    6.613400      -1.368300       2.228300    
 H    7.917700     -0.3681000      -1.580000    
 H    8.407100       1.322000      -1.473500    
 H    9.069500      -1.114600       1.983800    
 H    8.332100      -1.893500      0.5852000    
 H    9.938400     -0.2302000     -0.2109000    
 H    9.225100       1.020800      0.8075000    
 H    4.396500     -0.7080000       1.653200    
 H    4.790900       1.000600       1.630900    
 H   -3.448400     -0.9268000      -1.463400    
 H    4.076800       1.114900     -0.7917000    
 H    3.787700     -0.6539000     -0.7312000    
 H   -4.811200      -3.206900       1.302700    
 H   -3.306200      -3.231900      0.3696000    
 H   -2.048100     -0.8903000       1.195900    
 H   -2.467600       1.993300      -1.234100    
 H   -6.624400       1.837500       1.551900    
 H   -5.085100      -4.608700     -0.7168000    
 H   -4.668800      -3.230600      -1.752200    
 H   -6.154000      -3.195300     -0.7934000    
 H   0.1783000     -5.1600002E-02   1.372500    
 H   -3.644600       4.084600     -0.6072000    
 H   -5.701200       4.015100      0.7708000    
 H   -1.607500     -0.9032000      -2.476500    
 H    2.433000      0.3917000      -2.280000    
 H   0.4915000     -0.3240000      -3.574200    


%chk=000071696-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071696

0 1
O 2.626365 -0.041845 0.514184
O -6.400336 -1.470933 1.154284
N 6.352372 -0.231329 0.541721
N -4.292646 -1.069548 0.138411
N -2.156660 0.203747 0.191609
C 6.870378 0.877709 -0.300365
C 7.316636 -0.599888 1.609333
C 8.204557 0.490369 -0.969745
C 8.665128 -1.036961 1.000462
C 9.245532 0.073508 0.094653
C 4.979864 0.020542 1.040414
C -3.483189 0.080440 -0.383385
C -4.393988 1.264924 -0.054207
C -5.586253 0.803565 0.544512
C 3.949848 -0.432340 -0.003733
C -5.531170 -0.689001 0.670114
C -3.856998 -2.469579 0.055797
C -4.176859 2.636000 -0.269175
C -0.951137 -0.231880 -0.391932
C -6.605699 1.690879 0.933399
C -4.229192 -3.144841 -1.283621
C 1.500885 -0.367276 -0.259126
C 0.264225 0.037043 0.288932
C -5.196887 3.540790 0.122598
C -6.399441 3.074056 0.713795
C -0.902943 -0.921937 -1.640673
C 1.558371 -1.043405 -1.505445
C 0.342406 -1.306798 -2.173739
H 7.023682 1.804415 0.315130
H 6.117005 1.122310 -1.071987
H 7.495726 0.257392 2.311915
H 6.882189 -1.427112 2.200669
H 8.023652 -0.354467 -1.662052
H 8.577406 1.343633 -1.568558
H 9.372506 -1.287167 1.814504
H 8.501786 -1.953955 0.401776
H 10.179158 -0.270285 -0.389284
H 9.508897 0.954817 0.716067
H 4.816075 -0.556951 1.968139
H 4.800871 1.093309 1.289883
H -3.368808 -0.022684 -1.480172
H 4.129567 0.058257 -0.981714
H 4.003933 -1.529700 -0.140131
H -4.350062 -3.006014 0.886535
H -2.764946 -2.504550 0.223529
H -2.106789 0.602433 1.129938
H -3.247874 2.998211 -0.722717
H -7.522995 1.307804 1.392119
H -3.888248 -4.196213 -1.285855
H -3.757072 -2.635365 -2.143768
H -5.322984 -3.134426 -1.428402
H 0.269234 0.567842 1.247627
H -5.055699 4.616008 -0.034083
H -7.171930 3.794603 1.004135
H -1.816636 -1.172539 -2.187037
H 2.507154 -1.362160 -1.943419
H 0.367032 -1.836159 -3.133160


