%chk=000020015.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020015

0 1
 O   -1.090000      7.1900003E-02  -2.091800    
 N    2.774500      7.7100001E-02 -0.3126000    
 C   0.3258000      0.5989000     -0.2326000    
 C    1.444700     -0.3465000     -0.7549000    
 C   -1.116100      8.6400002E-02 -0.6490000    
 C    2.849800      3.3100002E-02   1.151700    
 C    3.828000     -0.6777000     -0.9929000    
 C    4.234500      0.1842000       1.788800    
 C    5.034200      0.2207000      -1.281200    
 C    5.145900       1.196400       1.102500    
 C    5.897600      0.5839000     -7.6800004E-02
 C   0.6048000       2.030000     -0.7464000    
 C   -1.466300      -1.326300     -0.1372000    
 C   -2.234200       1.045700     -0.1945000    
 C   -1.594000      -1.510600       1.214300    
 C   -2.099000       1.668700       1.018800    
 C   -1.632500      -2.325100      -1.060000    
 C   -3.308100       1.228400      -1.026100    
 C   -1.910900      -2.787700       1.677200    
 C   -3.110300       2.536800       1.429900    
 C   -1.949500      -3.602200     -0.5971000    
 C   -4.319500       2.096500     -0.6148000    
 C   -2.088700      -3.833400      0.7715000    
 C   -4.220500       2.750700      0.6133000    
 H   0.3696000      0.6078000      0.8589000    
 H    1.257200      -1.380400     -0.4402000    
 H    1.408000     -0.3383000      -1.851900    
 H    2.408600     -0.8939000       1.542000    
 H    2.262300      0.8637000       1.558400    
 H    3.473900      -1.024400      -1.972900    
 H    4.115600      -1.582100     -0.4429000    
 H    4.730000     -0.7938000       1.833800    
 H    4.089700      0.4949000       2.831600    
 H    4.693200       1.142900      -1.770500    
 H    5.674900     -0.2866000      -2.013800    
 H    5.893300       1.531600       1.832400    
 H    4.587800       2.087400      0.7927000    
 H    6.664600       1.295000     -0.4084000    
 H    6.437900     -0.3099000      0.2598000    
 H    1.566200       2.404300     -0.3795000    
 H   0.6363000       2.058000      -1.841100    
 H  -0.1457000       2.753200     -0.4197000    
 H   -1.901700     -0.3161000      -2.452700    
 H   -1.431200     -0.7312000       1.947300    
 H   -1.261000       1.531500       1.689900    
 H   -1.508500      -2.211900      -2.129900    
 H   -3.441000      0.7306000      -1.978300    
 H   -2.011300      -2.970100       2.743100    
 H   -3.034700       3.045400       2.386700    
 H   -2.081100      -4.418900      -1.301100    
 H   -5.186700       2.260200      -1.248100    
 H   -2.332100      -4.828500       1.132000    
 H   -5.008800       3.425500      0.9341000    


%chk=000020015-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000020015

0 1
O -1.045188 0.020631 -2.109490
N 2.766534 -0.127923 -0.194240
C 0.315462 0.519618 -0.176643
C 1.395723 -0.521890 -0.593359
C -1.126457 0.076026 -0.628745
C 2.972128 -0.190526 1.269879
C 3.855355 -0.670473 -1.043829
C 4.421309 0.073586 1.740131
C 4.905603 0.405959 -1.419164
C 5.133796 1.258733 1.039027
C 5.846441 0.841271 -0.272093
C 0.674849 1.918963 -0.725321
C -1.503772 -1.339453 -0.100379
C -2.191992 1.118591 -0.198969
C -2.108382 -1.537981 1.167533
C -2.178702 1.708999 1.092926
C -1.232693 -2.484352 -0.898393
C -3.230989 1.493832 -1.086307
C -2.427784 -2.836149 1.625234
C -3.174035 2.629452 1.486929
C -1.562751 -3.781419 -0.447706
C -4.232833 2.410880 -0.695742
C -2.160668 -3.965473 0.819385
C -4.213341 2.981694 0.596168
H 0.287828 0.558375 0.930814
H 1.124940 -1.518649 -0.167797
H 1.361412 -0.607192 -1.693851
H 2.642880 -1.181691 1.682625
H 2.314897 0.572616 1.735261
H 3.397555 -1.040189 -1.980421
H 4.361684 -1.550113 -0.578505
H 5.037367 -0.838235 1.607700
H 4.374833 0.252197 2.832785
H 4.345996 1.284234 -1.795853
H 5.524845 0.025358 -2.258954
H 5.893193 1.680689 1.727344
H 4.402494 2.064779 0.831718
H 6.475611 1.681063 -0.630961
H 6.543714 0.009460 -0.035471
H 1.728908 2.137501 -0.481483
H 0.563437 1.934319 -1.823510
H 0.031482 2.709089 -0.302000
H -1.855190 -0.436971 -2.451256
H -2.355160 -0.678932 1.797587
H -1.374317 1.471369 1.797950
H -0.746476 -2.355531 -1.871023
H -3.250968 1.097175 -2.106559
H -2.897189 -2.962137 2.607629
H -3.134057 3.073874 2.488016
H -1.345134 -4.647489 -1.083345
H -5.022817 2.683964 -1.404663
H -2.416648 -4.971057 1.171379
H -4.987231 3.695328 0.899809


