%chk=000132240.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132240

0 1
 O   -5.923000      -2.039800      0.6993000    
 N  -0.1393000      -1.814100     -0.3499000    
 N    2.445800     -0.6031000     -0.4481000    
 N   -4.202700     -0.4543000      0.3841000    
 N    4.688800     -0.5398000      0.3942000    
 N   -6.289200      0.2482000      0.3450000    
 N   -4.158600      0.9049000      0.1650000    
 C   0.1046000     -0.6515000      -1.212300    
 C    1.071200      -2.641300     -0.2726000    
 C    1.245300      0.2100000     -0.6650000    
 C    2.243300      -1.846100      0.3070000    
 C   -1.265600      -2.599400     -0.8535000    
 C   -2.561300      -1.783800     -0.8891000    
 C   -3.001900      -1.239700      0.4685000    
 C    3.698700      1.5600000E-02 -0.3724000    
 C    3.905200       1.194900      -1.090900    
 C   -5.535600     -0.8971000      0.5020000    
 C    5.891800      6.1200000E-02  0.4602000    
 C    5.145900       1.811900      -1.020900    
 C    6.167400       1.254100     -0.2404000    
 C   -5.404000       1.264900      0.1510000    
 C    6.907200     -0.4925000       1.235300    
 C   -7.647200      0.3984000      0.3688000    
 C    7.434600       1.854500     -0.1485000    
 C   -5.956700       2.623300     -4.7300000E-02
 C   -8.170200       1.620500      0.1912000    
 C    8.167000      0.1043000       1.326800    
 C   -7.292800       2.756400     -2.2000000E-02
 C    8.431400       1.279300      0.6344000    
 H  -0.7651000      1.0100000E-02  -1.261300    
 H   0.3393000     -0.9682000      -2.237500    
 H    1.343000      -3.024500      -1.265600    
 H   0.8933000      -3.508700      0.3747000    
 H   0.9472000      0.6727000      0.2849000    
 H    1.376300       1.015900      -1.389600    
 H    3.130900      -2.488900      0.2583000    
 H    2.059100      -1.608600       1.362500    
 H   -1.059900      -2.989500      -1.858900    
 H   -1.427600      -3.466500     -0.2008000    
 H   -2.518700     -0.9800000      -1.632400    
 H   -3.355300      -2.447800      -1.259100    
 H   -3.194400      -2.078300       1.147400    
 H   -2.225500     -0.6137000      0.9209000    
 H    3.170300       1.650400      -1.741500    
 H    5.315700       2.726100      -1.585400    
 H    6.725200      -1.412700       1.787600    
 H   -8.250600     -0.4854000      0.5317000    
 H   -5.285300       3.457000     -0.2046000    
 H    7.652000       2.774500     -0.6866000    
 H   -9.241000       1.785700      0.2024000    
 H   -7.753500       3.728400     -0.1617000    
 H    8.939000     -0.3516000       1.939900    
 H    9.409200       1.746100      0.7030000    


%chk=000132240-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000132240

0 1
O -5.972832 -2.154093 1.093296
N -0.136000 -1.554843 -0.237965
N 2.328458 -0.111789 0.183508
N -4.298725 -0.614367 0.270070
N 4.632195 -0.456451 0.466608
N -6.378710 0.101290 0.304348
N -4.239101 0.704969 -0.246944
C 0.176122 -0.340755 -1.030125
C 1.115663 -2.270824 0.125383
C 1.110690 0.598931 -0.236866
C 2.049892 -1.353668 0.932790
C -1.119631 -2.451466 -0.898015
C -2.530207 -1.834067 -1.006069
C -3.075400 -1.410912 0.375695
C 3.634638 0.345912 0.011435
C 3.918897 1.620728 -0.624259
C -5.581759 -1.051979 0.620973
C 5.946945 -0.059703 0.310588
C 5.239142 2.020125 -0.781789
C 6.316442 1.189894 -0.322014
C -5.526500 1.115956 -0.211078
C 6.989027 -0.918023 0.790579
C -7.748724 0.256347 0.452773
C 7.695236 1.539374 -0.454772
C -6.118281 2.361620 -0.595182
C -8.320697 1.458661 0.081697
C 8.331989 -0.552936 0.646941
C -7.491843 2.522291 -0.448507
C 8.693621 0.682047 0.021198
H -0.758948 0.204193 -1.250310
H 0.662968 -0.604136 -2.004496
H 1.658421 -2.634842 -0.783479
H 0.851308 -3.151355 0.740201
H 0.563856 0.966009 0.657605
H 1.356755 1.466696 -0.866455
H 3.013764 -1.843325 1.138479
H 1.558967 -1.097490 1.895158
H -0.779340 -2.753869 -1.921517
H -1.173452 -3.378235 -0.293303
H -2.523741 -0.950228 -1.670088
H -3.207582 -2.576243 -1.469323
H -3.326594 -2.294082 0.989045
H -2.305637 -0.823052 0.904537
H 3.115039 2.274711 -0.969857
H 5.466314 2.981955 -1.257272
H 6.697024 -1.859001 1.267432
H -8.283958 -0.603814 0.862056
H -5.473082 3.149390 -0.991138
H 7.961121 2.489335 -0.935624
H -9.398436 1.597872 0.192481
H -7.961534 3.467902 -0.736515
H 9.119471 -1.219159 1.017939
H 9.750450 0.950899 -0.081650


