%chk=000059768.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059768

0 1
 O   -2.405100      -1.651400     -0.2187000    
 O   -5.178800      -1.768500     -6.3600004E-02
 O    5.518400       1.684200      0.4120000    
 O    5.979800     -0.5026000     -0.1601000    
 N   -3.662300       1.556100      0.5338000    
 C   -4.455300     -0.7868000      0.6838000    
 C   -4.416300      0.5051000     -0.1359000    
 C   -3.593000       2.754300     -0.2917000    
 C   -3.069100      -1.342600       1.002800    
 C   -3.308700       3.964400      0.5924000    
 C   -2.520300       2.595600      -1.365500    
 C    1.738300      -1.292200     -0.2347000    
 C    3.223800      -1.162900     -0.2410000    
 C   -1.041000      -1.533400     -0.2242000    
 C    1.071900      -1.630000      0.9432000    
 C    1.014900      -1.074900      -1.407400    
 C  -0.3176000      -1.750700      0.9486000    
 C  -0.3746000      -1.195600      -1.402200    
 C    3.684600      0.2637000      8.4500000E-02
 C    5.190300      0.3981000      8.8299997E-02
 C    6.920100       1.970300      0.4555000    
 H   -5.002900     -0.6192000       1.618200    
 H   -5.449800      0.8305000     -0.3150000    
 H   -4.000900      0.2792000      -1.124800    
 H   -4.558700       2.942500     -0.7790000    
 H   -4.116100       1.766900       1.422500    
 H   -2.524100     -0.6099000       1.610200    
 H   -3.174400      -2.274600       1.570900    
 H   -3.260400       4.879500     -7.8999996E-03
 H   -4.097400       4.102400       1.340600    
 H   -2.354400       3.860500       1.121300    
 H   -2.414100       3.522500      -1.940200    
 H   -2.761500       1.802600      -2.079600    
 H   -1.543200       2.367700     -0.9240000    
 H    3.620000      -1.468600      -1.218500    
 H    3.661600      -1.869100      0.4771000    
 H   -4.671700      -1.959700     -0.8713000    
 H    1.625100      -1.806500       1.862000    
 H    1.522000     -0.8088000      -2.331100    
 H    3.314900      0.5556000       1.074800    
 H    3.282700      0.9634000     -0.6580000    
 H  -0.7937000      -2.045400       1.879100    
 H  -0.9336000      -1.023300      -2.317800    
 H    7.044200       3.022900      0.7235000    
 H    7.371500       1.802400     -0.5270000    
 H    7.408800       1.354300       1.216400    


%chk=000059768-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059768

0 1
O -2.184843 -1.034478 -0.381845
O -4.766821 -2.025435 -0.611257
O 6.246843 1.284430 -0.203349
O 6.441642 -1.029251 -0.016283
N -4.709488 1.601430 0.458600
C -4.487341 -0.874101 0.259411
C -4.759370 0.459382 -0.480923
C -4.313224 2.922753 -0.107022
C -3.058151 -0.944514 0.809896
C -4.747409 4.030189 0.874690
C -2.788066 2.970940 -0.349344
C 2.043249 -1.299333 0.002431
C 3.561097 -1.357337 0.092208
C -0.796168 -1.118980 -0.183615
C 1.239741 -1.185030 1.161664
C 1.387241 -1.324875 -1.258561
C -0.169477 -1.094461 1.085229
C -0.013389 -1.236736 -1.358657
C 4.202053 0.031205 -0.153882
C 5.720732 -0.009912 -0.112143
C 7.727409 1.377550 -0.189884
H -5.194825 -0.976909 1.102872
H -5.732303 0.357962 -1.011457
H -3.980328 0.597026 -1.251760
H -4.826210 3.107194 -1.084090
H -5.579773 1.678734 1.002219
H -2.835722 -0.025829 1.385008
H -2.918272 -1.848870 1.433322
H -4.435830 5.023213 0.505899
H -5.846847 4.046388 1.005365
H -4.281635 3.864349 1.863909
H -2.501444 3.923235 -0.833281
H -2.449194 2.144826 -1.000092
H -2.252238 2.884959 0.613513
H 3.970889 -2.070720 -0.646173
H 3.876648 -1.725225 1.085363
H -3.987862 -2.119947 -1.220310
H 1.719173 -1.171645 2.148388
H 1.982478 -1.426025 -2.174820
H 3.847406 0.769596 0.589200
H 3.894740 0.431358 -1.139666
H -0.756826 -1.010582 2.004013
H -0.518241 -1.263081 -2.329590
H 7.941336 2.453049 -0.261666
H 8.153497 0.828798 -1.046699
H 8.129023 0.952711 0.745469


