%chk=000059211.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059211

0 1
 O    3.815800     -0.6998000       1.499900    
 N  -0.3720000      -2.433000     -0.4150000    
 C   0.7264000      -1.569700     -0.8412000    
 C   -1.464400      -1.663100      0.1355000    
 C    1.216900     -0.6821000      0.3133000    
 C   -1.987500     -0.6348000     -0.8797000    
 C    1.867200      -2.421600      -1.388900    
 C   -2.582900      -2.601300      0.5782000    
 C    2.315800      0.2683000     -9.9100001E-02
 C   -3.093400      0.2314000     -0.3251000    
 C    3.555900      0.2073000      0.5170000    
 C    2.054500       1.192700      -1.099000    
 C   -4.410100     -0.1778000     -0.4629000    
 C   -2.770900       1.419400      0.3109000    
 C    4.559700       1.092400      0.1240000    
 C    3.058400       2.077800      -1.492000    
 C   -5.431600      0.6224000      4.8900001E-02
 C   -3.792300       2.219600      0.8228000    
 C    4.311000       2.027700     -0.8806000    
 C   -5.122700       1.821100      0.6917000    
 C    3.546200     -0.2970000       2.841100    
 H   0.4142000     -0.9651000      -1.698200    
 H   -1.161800      -1.163500       1.061900    
 H  -0.6950000      -2.990900      -1.205200    
 H    1.520600      -1.321200       1.150300    
 H   0.4308000     -2.7899999E-02  0.7054000    
 H   -2.343700      -1.139300      -1.788800    
 H   -1.213000      6.0400002E-02  -1.218100    
 H    2.661400      -1.810400      -1.829600    
 H    1.509500      -3.090600      -2.180500    
 H    2.313900      -3.044600     -0.6055000    
 H   -3.333200      -2.088900       1.188200    
 H   -2.182800      -3.407300       1.205700    
 H   -3.084100      -3.070500     -0.2760000    
 H    1.080900       1.255800      -1.575600    
 H   -4.664400      -1.104800     -0.9686000    
 H   -1.738000       1.737300      0.4204000    
 H    5.538300       1.058800      0.5954000    
 H    2.863800       2.808400      -2.271800    
 H    5.092400       2.717300      -1.186100    
 H   -6.467500      0.3131000     -5.4699998E-02
 H   -3.551700       3.152700       1.324000    
 H   -5.917900       2.444400       1.090000    
 H    2.516100      5.7200000E-02   2.949400    
 H    4.244200      0.4892000       3.145500    
 H    3.688700      -1.162600       3.493800    


%chk=000059211-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059211

0 1
O 4.110594 -1.091361 1.195280
N -0.502249 -2.093448 0.215976
C 0.668833 -1.311495 -0.243337
C -1.789441 -1.388406 0.393082
C 1.327261 -0.586807 0.978675
C -2.466865 -0.998274 -0.976804
C 1.666049 -2.247125 -0.953304
C -2.732824 -2.244177 1.259928
C 2.370554 0.442663 0.579608
C -3.603298 -0.000493 -0.837255
C 3.768929 0.177805 0.685283
C 1.981571 1.704416 0.070414
C -4.961596 -0.406438 -0.907726
C -3.325590 1.372128 -0.595566
C 4.729463 1.144338 0.297684
C 2.926706 2.678663 -0.327050
C -6.010590 0.526369 -0.741136
C -4.369366 2.308437 -0.427157
C 4.303302 2.392886 -0.210538
C -5.718628 1.888505 -0.498323
C 5.531382 -1.396917 1.364362
H 0.367191 -0.517266 -0.971293
H -1.576046 -0.444911 0.934387
H -0.611393 -2.983361 -0.287464
H 1.762459 -1.358561 1.634321
H 0.520989 -0.083930 1.546648
H -2.827716 -1.930701 -1.455132
H -1.678565 -0.576108 -1.631039
H 2.582623 -1.701703 -1.232430
H 1.223299 -2.674407 -1.873642
H 1.955667 -3.075575 -0.280649
H -3.703897 -1.740619 1.409738
H -2.272046 -2.438426 2.243333
H -2.925833 -3.221760 0.774786
H 0.909180 1.928236 -0.001536
H -5.196136 -1.461107 -1.099516
H -2.281160 1.708669 -0.550881
H 5.800385 0.938396 0.386985
H 2.592668 3.646856 -0.714844
H 5.050445 3.136923 -0.508994
H -7.052856 0.192487 -0.803499
H -4.133594 3.363513 -0.245651
H -6.530361 2.613508 -0.370643
H 6.015816 -0.691885 2.068095
H 6.068273 -1.378434 0.395569
H 5.558116 -2.414203 1.782354


