%chk=000147738.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147738

0 1
 O    1.521500      -2.816200       1.168600    
 O    2.878100      0.7183000      0.4358000    
 O   -3.799200     -0.2361000      0.5826000    
 O   0.3577000       2.980100     -0.6948000    
 O    4.678200       1.214700     -0.9107000    
 N   -1.030100      -1.268200      0.1393000    
 N  -0.7630000      -4.075200      -1.369000    
 N    4.802000       1.402900       1.377500    
 C  -0.4800000      -3.542500     -3.4200002E-02
 C   0.3076000      -1.309200     -0.1277000    
 C   0.8240000      -2.691000     -6.2100001E-02
 C   -1.602800      -2.572400      0.4156000    
 C   0.7314000     -3.0400001E-02 -0.3816000    
 C   -1.506700     -6.3000000E-03  7.4699998E-02
 C  -0.4249000      0.7997000     -0.2514000    
 C    2.102900      0.3922000     -0.7217000    
 C   -2.844100      0.4761000      0.2894000    
 C  -0.5650000       2.228300     -0.4078000    
 C   -3.010200       1.962900      0.1294000    
 C   -1.953700       2.734500     -0.1884000    
 C   -4.384600       2.519400      0.3395000    
 C    4.160900       1.118700      0.1972000    
 H  -0.4042000      -4.386000      0.6605000    
 H    1.498800      -2.940500     -0.8866000    
 H   -2.541800      -2.683000     -0.1338000    
 H   -1.778300      -2.629100       1.494500    
 H    2.081900       1.254500      -1.398000    
 H    2.608200     -0.4223000      -1.257400    
 H  -0.8608000      -3.309000      -2.034500    
 H   -1.662200      -4.555400      -1.359400    
 H    1.794100      -3.745700       1.254200    
 H   -2.075200       3.808100     -0.3034000    
 H   -4.733300       2.303600       1.354700    
 H   -5.089000       2.077400     -0.3727000    
 H   -4.412100       3.605700      0.2030000    
 H    5.766600       1.716600       1.392700    
 H    4.330700       1.308000       2.270800    


%chk=000147738-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000147738

0 1
O 1.700304 -2.815855 1.016889
O 2.950419 1.229991 -0.133173
O -3.656170 -0.272277 0.860304
O 0.198693 3.157151 -1.148203
O 3.568598 -0.877025 0.725248
N -0.889860 -1.218171 0.098885
N -0.695846 -3.957566 -1.521061
N 4.289563 1.124711 1.691578
C -0.313567 -3.497745 -0.181297
C 0.424834 -1.218973 -0.353367
C 0.985501 -2.622427 -0.246238
C -1.364265 -2.555558 0.522744
C 0.789861 0.105204 -0.692734
C -1.403645 0.068456 0.063531
C -0.376772 0.911162 -0.438326
C 2.119168 0.570591 -1.205015
C -2.743722 0.510007 0.422423
C -0.649581 2.340966 -0.652200
C -3.000475 1.990050 0.234943
C -2.015894 2.807821 -0.265136
C -4.373508 2.483518 0.616427
C 3.596678 0.387726 0.764243
H -0.097684 -4.376568 0.445971
H 1.602828 -2.921283 -1.112535
H -2.400564 -2.728297 0.193902
H -1.312707 -2.628387 1.623601
H 2.004983 1.388667 -1.930368
H 2.706445 -0.263497 -1.625417
H -0.943756 -3.221034 -2.188275
H -1.338116 -4.752069 -1.544869
H 2.484161 -2.185776 1.021100
H -2.196453 3.879484 -0.413469
H -4.577909 2.277261 1.683298
H -5.153348 1.940098 0.052124
H -4.480034 3.564642 0.431800
H 4.818281 0.636674 2.409272
H 4.266959 2.141529 1.658198


