%chk=000048583.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048583

0 1
 O    2.284500      0.3064000      -1.856800    
 O  -0.5785000      0.3702000       1.864700    
 O    1.362000       4.234400      0.3289000    
 N    1.743900       2.282200     -0.8238000    
 N   0.3143000       2.313900       1.035600    
 C   0.3731000      0.2999000     -0.3645000    
 C  -0.8391000      0.4591000      -1.299600    
 C   0.6419000      -1.194000     -0.1321000    
 C    1.568900      0.9290000      -1.072500    
 C   6.3999998E-03  0.9638000      0.9590000    
 C   -2.075100     -0.1321000     -0.6901000    
 C    1.922800      -1.393900      0.6146000    
 C    1.141700       3.031200      0.1799000    
 C    2.787400      -2.420300      0.5041000    
 C   -2.387100      -1.467600     -0.9224000    
 C   -2.899400      0.6594000      0.1028000    
 C   -3.536700      -2.017700     -0.3555000    
 C   -4.048900      0.1091000      0.6697000    
 C    4.062600      -2.564600       1.285300    
 C    2.523000      -3.539200     -0.4680000    
 C   -4.367500      -1.229500      0.4406000    
 H  -0.6444000     -8.5000005E-03  -2.274900    
 H   -1.022000       1.518300      -1.529600    
 H  -0.1402000      -1.666900      0.4714000    
 H   0.6766000      -1.705000      -1.100500    
 H    2.166600     -0.6405000       1.362900    
 H    2.445000       2.759700      -1.383400    
 H  -3.9000001E-02   2.814800       1.846100    
 H   -1.758100      -2.091700      -1.550900    
 H   -2.675100       1.708100      0.2781000    
 H   -3.786500      -3.059100     -0.5364000    
 H   -4.697800      0.7238000       1.286700    
 H    4.036300      -3.471900       1.897000    
 H    4.920200      -2.622600      0.6073000    
 H    4.223500      -1.713700       1.955500    
 H    1.479500      -3.621000     -0.7813000    
 H    2.772700      -4.501700     -6.8999999E-03
 H    3.147700      -3.418600      -1.358800    
 H   -5.263300      -1.657500      0.8809000    


%chk=000048583-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048583

0 1
O 1.824475 -0.086686 -2.250953
O -0.468126 0.620087 1.955829
O 2.238136 3.899880 0.098124
N 1.983129 1.885975 -1.062459
N 0.783059 2.269730 0.933331
C 0.306301 0.155653 -0.334296
C -1.025734 0.360029 -1.206218
C 0.511244 -1.348756 0.037168
C 1.437240 0.607497 -1.275427
C 0.178881 0.992174 0.944867
C -2.311403 -0.184226 -0.610066
C 1.735427 -1.592347 0.898916
C 1.701411 2.769213 -0.004903
C 2.875555 -2.261012 0.555989
C -2.749499 -1.496547 -0.929437
C -3.125462 0.614649 0.233607
C -3.962475 -2.001303 -0.411493
C -4.338527 0.114241 0.753550
C 3.988508 -2.455244 1.574639
C 3.145926 -2.876686 -0.805518
C -4.760938 -1.196692 0.433814
H -0.812730 -0.140851 -2.168716
H -1.130871 1.442663 -1.413816
H -0.392555 -1.667372 0.586993
H 0.555891 -1.920146 -0.905026
H 1.655952 -1.208297 1.927255
H 2.685813 2.209447 -1.735449
H 0.624572 2.861849 1.755472
H -2.142522 -2.120906 -1.596764
H -2.807472 1.632732 0.488704
H -4.286642 -3.015246 -0.671006
H -4.953254 0.744877 1.405156
H 4.204584 -3.532242 1.722031
H 4.931676 -1.990096 1.225255
H 3.731200 -2.020366 2.555905
H 2.420143 -2.567060 -1.572920
H 3.143107 -3.983295 -0.738676
H 4.151701 -2.584618 -1.165095
H -5.703821 -1.585001 0.834736


