%chk=000057657.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057657

0 1
 O   -1.032200      -2.097300      -1.656000    
 N    2.197300       2.354800      0.1944000    
 N  -0.5440000     -5.7999999E-03 -0.6818000    
 N   -4.282400       1.509000       1.311900    
 C    1.386900       1.489800     -0.6623000    
 C   0.2822000      0.8279000      0.1481000    
 C    2.794800       1.581700       1.282400    
 C    3.236300       3.021800     -0.5894000    
 C   -1.709400      0.6355000      -1.299300    
 C  -0.3299000      -1.376300     -0.9481000    
 C    3.591000       2.475400       2.218100    
 C    2.633000       3.830500      -1.725300    
 C   -2.928300      0.5450000     -0.4272000    
 C   0.8487000      -2.012100     -0.3381000    
 C   -3.792300     -0.5296000     -0.5368000    
 C   -3.204200       1.530300      0.4964000    
 C   0.7342000      -2.597400      0.9135000    
 C    2.052400      -2.015100      -1.025700    
 C   -4.912600     -0.5870000      0.2849000    
 C    1.851100      -3.200200       1.491800    
 C    3.169300      -2.618200     -0.4474000    
 C   -5.110600      0.4481000       1.184600    
 C    3.068600      -3.210700      0.8114000    
 H    2.008400      0.7455000      -1.171000    
 H   0.8884000       2.070900      -1.445000    
 H  -0.3363000       1.582200      0.6458000    
 H   0.6728000      0.1847000      0.9358000    
 H    2.031800       1.140800       1.928400    
 H    3.430100      0.7678000      0.9113000    
 H    3.782200       3.742000      2.8700000E-02
 H    3.967400       2.309600     -0.9925000    
 H   -1.915800      0.1551000      -2.264100    
 H   -1.472100       1.681000      -1.531000    
 H    4.546100       2.788600       1.785400    
 H    3.023600       3.365300       2.511400    
 H    3.831500       1.925600       3.135400    
 H    2.298400       3.202000      -2.556500    
 H    1.797000       4.451500      -1.385400    
 H    3.392400       4.506000      -2.135800    
 H   -3.617400      -1.325200      -1.254400    
 H   -2.565500       2.398900      0.6174000    
 H  -0.2106000      -2.592900       1.449800    
 H    2.138200      -1.562900      -2.009800    
 H   -5.609400      -1.414900      0.2223000    
 H    1.772800      -3.661300       2.472000    
 H    4.117000      -2.627400     -0.9777000    
 H   -5.969400      0.4508000       1.847700    
 H    3.938300      -3.680200       1.261600    


%chk=000057657-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057657

0 1
O -1.292684 -2.523682 -1.115907
N 2.247509 2.289524 -0.011048
N -0.319975 -0.423620 -0.842303
N -3.865773 2.539838 0.141692
C 1.465290 1.390348 -0.888423
C 0.491482 0.527245 -0.045520
C 3.474242 1.645500 0.531648
C 2.484845 3.638251 -0.590139
C -1.429201 0.167078 -1.645699
C -0.327649 -1.809576 -0.676911
C 3.932466 2.248674 1.873137
C 1.224350 4.524222 -0.578237
C -2.600161 0.651071 -0.799885
C 0.836571 -2.476328 0.013472
C -3.489031 -0.264156 -0.176591
C -2.840928 2.034779 -0.607932
C 0.550089 -3.543363 0.903264
C 2.189059 -2.165945 -0.281756
C -4.554925 0.237895 0.599609
C 1.596861 -4.260789 1.519338
C 3.236937 -2.897351 0.320017
C -4.703973 1.639167 0.733884
C 2.944471 -3.938893 1.230603
H 2.117169 0.729420 -1.510454
H 0.883741 2.006304 -1.598231
H -0.187511 1.215076 0.494357
H 1.052072 -0.033300 0.718954
H 3.250526 0.573618 0.689574
H 4.314014 1.686270 -0.208478
H 3.263243 4.131907 0.019019
H 2.892973 3.572011 -1.630685
H -1.766296 -0.616762 -2.344637
H -1.016964 1.009533 -2.230314
H 4.201923 3.315979 1.777679
H 3.124836 2.167715 2.621046
H 4.822690 1.712650 2.251831
H 0.407089 4.092240 -1.185582
H 0.852189 4.642395 0.453927
H 1.450793 5.524400 -0.992307
H -3.332106 -1.339817 -0.312455
H -2.186659 2.781969 -1.078385
H -0.496438 -3.806325 1.088198
H 2.423473 -1.380038 -1.008135
H -5.262448 -0.437689 1.090994
H 1.364514 -5.075536 2.213779
H 4.277822 -2.661022 0.072211
H -5.518491 2.065493 1.330853
H 3.757774 -4.502781 1.700830


