%chk=000047821.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047821

0 1
 O    8.768700     -0.3775000       1.089000    
 O    7.217400      -1.822900      0.2822000    
 N   -1.123900      0.3415000      -1.352500    
 N   -4.504700     -0.6823000      0.9037000    
 C   -2.270400     -5.7000001E-03 -0.5875000    
 C    4.267900       1.433700      0.1065000    
 C   -2.556600      -1.352000     -0.3392000    
 C   -3.102500       1.001900     -8.9199997E-02
 C    2.854900       1.148200     -0.2757000    
 C    5.198100      0.2044000      0.1294000    
 C   0.2033000      0.6105000     -0.9933000    
 C   -3.699900      -1.649000      0.4215000    
 C   -4.224500      0.6128000      0.6619000    
 C    2.470600       1.201100      -1.615500    
 C    1.917900      0.8274000      0.7065000    
 C    1.149200      0.9332000      -1.973100    
 C   0.5965000      0.5595000      0.3490000    
 C    6.634900      0.5253000      0.5523000    
 C   -1.737700      -2.385200     -0.8275000    
 C   -2.838800       2.362800     -0.3231000    
 C   -3.990200      -2.987500      0.6720000    
 C   -5.056700       1.611500       1.160600    
 C   -2.049900      -3.715300     -0.5630000    
 C   -3.686500       3.341700      0.1866000    
 C   -3.178600      -4.016700      0.1884000    
 C   -4.797700       2.964900      0.9300000    
 C    7.539600     -0.6863000      0.6001000    
 H    4.284300       1.912500       1.094800    
 H    4.684500       2.183900     -0.5789000    
 H    4.782900     -0.5508000      0.8098000    
 H    5.208900     -0.2610000     -0.8649000    
 H   -1.319800      0.4006000      -2.347500    
 H    3.191700       1.447700      -2.390300    
 H    2.205600      0.7807000       1.753500    
 H   0.8646000      0.9778000      -3.021600    
 H  -0.1117000      0.3117000       1.135500    
 H    7.071500       1.243200     -0.1508000    
 H    6.622600      0.9746000       1.551900    
 H  -0.8504000      -2.185000      -1.422400    
 H   -1.981500       2.692200     -0.9042000    
 H   -4.869300      -3.249400       1.258300    
 H   -5.933900       1.341700       1.746100    
 H   -1.416600      -4.511400     -0.9420000    
 H   -3.481500       4.391900      3.5999999E-03
 H   -3.431500      -5.051400      0.4005000    
 H   -5.465900       3.720700       1.332100    
 H    9.350500      -1.165700       1.139500    


%chk=000047821-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047821

0 1
O 8.746210 -1.361385 0.457703
O 6.910921 -2.433007 -0.476867
N -1.128191 1.069053 -1.089395
N -4.558828 -0.814439 0.714441
C -2.219369 0.431879 -0.460547
C 4.491730 1.203515 0.371418
C -2.196126 -0.954878 -0.091634
C -3.426852 1.182157 -0.256035
C 3.014318 1.195612 0.009394
C 5.190160 -0.139503 0.023657
C 0.240311 1.070905 -0.705146
C -3.394593 -1.515562 0.528696
C -4.582292 0.494728 0.309591
C 2.570202 1.598369 -1.275980
C 2.035091 0.740560 0.929745
C 1.209245 1.533549 -1.636221
C 0.668534 0.681970 0.592729
C 6.682087 -0.124198 0.405720
C -1.089234 -1.835026 -0.357777
C -3.544642 2.583648 -0.559902
C -3.386576 -2.897052 0.935629
C -5.812261 1.223509 0.477322
C -1.128692 -3.172735 0.027389
C -4.749557 3.259815 -0.376664
C -2.280485 -3.706466 0.699953
C -5.900591 2.568853 0.133182
C 7.395726 -1.418940 0.069613
H 4.614338 1.400933 1.455089
H 5.009218 2.025123 -0.163087
H 4.679136 -0.970209 0.544772
H 5.082436 -0.346276 -1.057290
H -1.374936 1.756281 -1.804484
H 3.300286 1.962488 -2.009543
H 2.344961 0.437491 1.937694
H 0.893506 1.834566 -2.643039
H -0.064986 0.348776 1.332975
H 7.217724 0.699242 -0.107420
H 6.816252 0.066204 1.488940
H -0.207966 -1.450032 -0.876879
H -2.667795 3.143939 -0.905034
H -4.293498 -3.274733 1.417588
H -6.661944 0.671220 0.890217
H -0.277604 -3.827018 -0.190564
H -4.817663 4.328990 -0.605447
H -2.289095 -4.757699 1.008498
H -6.842387 3.112416 0.266365
H 9.189170 -2.222132 0.223734


