%chk=000045962.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045962

1 1
 O    2.258200     -0.1935000      0.8097000    
 O    2.629000     -0.2381000      -1.473800    
 N   -3.208900     -0.8781000     -0.1863000    
 N    4.444400      2.3600001E-02 -4.3699998E-02
 C   -1.716400     -0.6740000      8.4700003E-02
 C   -1.252500      0.5970000      0.1491000    
 C   -2.107700       1.808900     -2.7500000E-02
 C   -3.502000      -2.375500     -0.2150000    
 C   -3.558300     -0.2307000      -1.523400    
 C   -4.083900     -0.2426000      0.8923000    
 C  -0.9783000      -1.801700      0.2395000    
 C   0.1102000      0.7622000      0.3974000    
 C   -1.686500       2.651600      -1.245200    
 C   -2.143000       2.691000       1.233700    
 C   0.9286000     -0.3545000      0.5667000    
 C   0.3843000      -1.636500      0.4878000    
 C    3.086000     -0.1426000     -0.3352000    
 C    5.420900      9.3999997E-02  -1.121400    
 C    4.975800      0.1395000       1.310500    
 H   -3.147000       1.636800     -0.2105000    
 H   -3.313300      -2.817200      0.7698000    
 H   -4.571900      -2.493800     -0.4287000    
 H   -2.960500      -2.849900      -1.041100    
 H   -2.656400     -5.2200001E-02  -2.116200    
 H   -4.160400     -0.9548000      -2.086200    
 H   -4.191800      0.6541000      -1.432700    
 H   -4.550000      0.6959000      0.5896000    
 H   -4.913000     -0.9272000       1.107000    
 H   -3.501400     -0.1301000       1.812000    
 H   -1.302100      -2.831200      0.1997000    
 H   0.5517000       1.753300      0.4630000    
 H   -2.385600       3.481300      -1.399600    
 H  -0.6893000       3.086400      -1.114800    
 H   -1.670000       2.054000      -2.162100    
 H   -2.470500       2.118100       2.108000    
 H   -1.160500       3.117600       1.462900    
 H   -2.839600       3.526600       1.101300    
 H    1.018100      -2.509500      0.6203000    
 H    4.948200     -1.4000000E-03  -2.102100    
 H    6.144300     -0.7166000     -0.9946000    
 H    5.936300       1.057400      -1.067000    
 H    5.692800     -0.6701000       1.475200    
 H    4.193100      7.7900000E-02   2.068900    
 H    5.485000       1.103000       1.404900    


%chk=000045962-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045962

1 1
O 2.340990 -0.525094 0.285942
O 2.691411 1.775026 -0.233877
N -3.397658 -0.993103 0.052769
N 4.482359 0.326843 0.221866
C -1.870980 -0.767499 0.093263
C -1.287022 0.514442 -0.150488
C -1.995542 1.849054 -0.479116
C -3.796668 -2.444353 0.345956
C -3.946239 -0.688625 -1.351416
C -4.093393 -0.146993 1.132277
C -1.052667 -1.888273 0.383104
C 0.128764 0.604230 -0.086527
C -1.564999 2.384951 -1.873420
C -1.732293 2.908521 0.627909
C 0.941528 -0.513372 0.200538
C 0.342953 -1.771655 0.437858
C 3.164538 0.648584 0.062028
C 5.489570 1.391393 0.029001
C 5.003109 -1.009323 0.569452
H -3.090890 1.717242 -0.525723
H -3.464467 -2.727508 1.354388
H -4.894584 -2.501071 0.293721
H -3.360578 -3.112938 -0.409105
H -3.464122 -1.378937 -2.059138
H -5.037090 -0.842223 -1.348020
H -3.713602 0.342808 -1.634714
H -3.872923 0.914702 0.983630
H -5.179750 -0.318790 1.071910
H -3.708874 -0.466814 2.111987
H -1.471019 -2.876919 0.574203
H 0.615252 1.563187 -0.265174
H -2.116020 3.313550 -2.106243
H -0.487629 2.621505 -1.899062
H -1.763522 1.653235 -2.678520
H -2.054061 2.555275 1.625268
H -0.660257 3.160241 0.695867
H -2.280127 3.839370 0.396612
H 0.971085 -2.637643 0.660919
H 4.982235 2.333828 -0.220901
H 6.176545 1.117724 -0.792427
H 6.077342 1.527342 0.954961
H 5.666596 -1.374937 -0.236149
H 4.179249 -1.719191 0.706611
H 5.589552 -0.949394 1.504880


