%chk=000043166.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043166

0 1
 O   -1.522200       1.183200       1.634600    
 O    1.853300       1.747100      -1.388300    
 O   0.2191000       2.672200       1.594800    
 O  -0.1338000       2.745900      -1.933200    
 N   -3.976800     -0.9992000     -8.3800003E-02
 N    3.867900     -0.9846000      9.7800002E-02
 C  -4.7499999E-02   1.037900     -0.1963000    
 C   -1.373200      0.3935000     -0.5557000    
 C    1.081100      4.0399998E-02  8.8999998E-03
 C   -1.969300      0.1015000      0.8058000    
 C    2.304900      0.8534000     -0.3621000    
 C  -0.3986000       1.747000       1.090500    
 C   0.5026000       1.939700      -1.272100    
 C   -3.485600      5.3500000E-02  0.7978000    
 C    3.449700      6.8000001E-03 -0.8864000    
 C   -3.438200      -2.300000      0.3172000    
 C   -5.440300      -1.032600     -8.0700003E-02
 C    4.316300     -0.3314000       1.328700    
 C    4.932000      -1.831500     -0.4442000    
 C   -3.942000      -3.407100     -0.5933000    
 C   -6.020600      0.2880000     -0.5573000    
 C    4.755300      -1.353100       2.363900    
 C    4.465900      -2.570900      -1.686900    
 H   -2.002200       1.103000      -1.109300    
 H   -1.275300     -0.5025000      -1.176900    
 H    1.143600     -0.3558000       1.027800    
 H   0.9642000     -0.8091000     -0.6761000    
 H   -1.531200     -0.7953000       1.256600    
 H    2.623200       1.501300      0.4618000    
 H   -3.849200     -7.6800004E-02   1.826500    
 H   -3.833300       1.044300      0.4832000    
 H    3.093600     -0.4598000      -1.812000    
 H    4.281000      0.6601000      -1.185300    
 H   -2.349800      -2.326300      0.2120000    
 H   -3.679500      -2.541200       1.360100    
 H   -5.815700      -1.780100     -0.7867000    
 H   -5.843400      -1.280500      0.9093000    
 H    5.132300      0.3782000       1.142700    
 H    3.498500      0.2209000       1.801000    
 H    5.838800      -1.256900     -0.6713000    
 H    5.207300      -2.616100      0.2675000    
 H   -4.979400      -3.684600     -0.3823000    
 H   -3.849100      -3.139500      -1.651600    
 H   -3.343200      -4.311400     -0.4345000    
 H   -5.945400       1.075700      0.1986000    
 H   -5.541900      0.6329000      -1.480300    
 H   -7.088400      0.1637000     -0.7709000    
 H    4.846400     -0.8661000       3.341700    
 H    5.737700      -1.781200       2.141300    
 H    4.026100      -2.163300       2.472900    
 H    5.176800      -3.370100      -1.925800    
 H    4.421200      -1.923500      -2.567900    
 H    3.487100      -3.039900      -1.538300    


%chk=000043166-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043166

0 1
O -1.639793 -0.393676 2.497264
O 1.074675 1.605238 -0.425038
O 0.354448 0.718247 2.899659
O -1.230124 1.667406 -0.637722
N -4.407221 -1.024322 0.005635
N 4.365001 -0.241515 -0.161525
C -0.125922 -0.211030 0.619049
C -1.228622 -1.230095 0.248919
C 1.351224 -0.639603 0.419635
C -2.324730 -1.075449 1.337653
C 2.102304 0.693794 0.214027
C -0.401508 0.120013 2.114362
C -0.208380 1.108847 -0.200807
C -3.546877 -0.232705 0.919979
C 3.311769 0.637274 -0.728300
C -5.367284 -1.894713 0.742370
C -5.065736 -0.200518 -1.049210
C 5.231728 0.475240 0.818781
C 5.144776 -0.964818 -1.204094
C -5.790126 -3.141574 -0.057194
C -4.102848 0.238830 -2.167697
C 5.896756 -0.466422 1.839769
C 4.361386 -2.120630 -1.854348
H -1.663981 -1.052426 -0.746875
H -0.807152 -2.250126 0.266418
H 1.756893 -1.200538 1.274383
H 1.440907 -1.267665 -0.485758
H -2.652126 -2.049550 1.737019
H 2.353129 1.154591 1.184523
H -4.085320 0.091716 1.840666
H -3.190641 0.676042 0.406272
H 2.975122 0.232939 -1.699363
H 3.676945 1.673975 -0.918562
H -4.879100 -2.225738 1.678736
H -6.273511 -1.317264 1.054136
H -5.868903 -0.815561 -1.494479
H -5.563624 0.697178 -0.604772
H 6.012137 1.082152 0.294244
H 4.597714 1.195005 1.368710
H 5.514198 -0.264613 -1.995524
H 6.041703 -1.384229 -0.714502
H -6.301877 -2.872846 -0.998606
H -4.904795 -3.748745 -0.315445
H -6.486440 -3.763183 0.536234
H -3.281350 0.870174 -1.786842
H -3.661578 -0.647849 -2.657985
H -4.649292 0.823717 -2.931231
H 6.502306 0.115369 2.559091
H 6.567961 -1.198278 1.355297
H 5.128059 -1.027119 2.399410
H 5.000117 -2.655267 -2.581661
H 3.468438 -1.763752 -2.399722
H 4.029967 -2.836130 -1.081479


