%chk=000044735.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044735

0 1
 O   -4.136300       1.045200     -0.4667000    
 N    2.234000      0.1707000      0.1039000    
 N    1.784700     -0.2036000      -2.220300    
 C    3.684500      6.3600004E-02 -2.8300000E-02
 C    1.753400      0.4627000       1.452100    
 C    4.214300       1.159800     -0.9604000    
 C    2.123100     -0.6794000       2.406100    
 C    1.363300      6.7800000E-02  -1.005200    
 C    4.023500      -1.322100     -0.5679000    
 C    2.368500       1.779700       1.913900    
 C  -7.7299997E-02  0.2513000     -0.8528000    
 C    5.727400       1.105600      -1.130400    
 C    1.638300     -0.4358000       3.829700    
 C  -0.9450000     -0.8128000     -0.5573000    
 C   -2.330700     -0.5587000     -0.4226000    
 C  -0.5687000       1.547000      -1.013300    
 C   -2.807900      0.7518000     -0.5874000    
 C   -1.931400       1.796800     -0.8809000    
 C  -0.4678000      -2.123300     -0.3924000    
 C   -3.198400      -1.622700     -0.1270000    
 C   -1.344200      -3.168300     -9.8999999E-02
 C   -2.707000      -2.918600      3.3500001E-02
 C   -4.500700       1.980400      0.5443000    
 C   -5.899500       1.663100       1.028500    
 H    4.202100      0.1658000      0.9301000    
 H   0.6669000      0.5854000       1.481800    
 H    3.966100       2.135500     -0.5230000    
 H    3.775000       1.184900      -1.957900    
 H    1.671600      -1.609400       2.038200    
 H    3.201500     -0.8624000       2.449200    
 H    3.303800      -2.081700     -0.2423000    
 H    4.137000      -1.391500      -1.652300    
 H    4.997200      -1.630600     -0.1654000    
 H    1.856500       2.149400       2.809400    
 H    3.430900       1.705300       2.165000    
 H    2.253600       2.556200       1.149100    
 H    6.233700       1.121300     -0.1599000    
 H    6.071600       1.973900      -1.701800    
 H    6.041100      0.2082000      -1.671700    
 H    2.175800      0.3902000       4.304600    
 H    1.807800      -1.329700       4.439000    
 H   0.5665000     -0.2142000       3.849600    
 H   0.1018000       2.371600      -1.242700    
 H    2.781200     -0.3440000      -2.297100    
 H   -2.297300       2.810600      -1.019000    
 H   0.5884000      -2.363000     -0.4868000    
 H   -4.268600      -1.461900     -1.6500000E-02
 H  -0.9624000      -4.177400      2.6500000E-02
 H   -3.388500      -3.732700      0.2621000    
 H   -3.807200       1.933800       1.393300    
 H   -4.475600       2.991000      0.1223000    
 H   -6.216800       2.371000       1.799200    
 H   -6.612900       1.701000      0.1986000    
 H   -5.943700      0.6493000       1.440000    


%chk=000044735-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044735

0 1
O -4.237190 0.810928 0.308854
N 2.279395 0.128865 -0.061094
N 1.606201 0.613845 -2.370328
C 3.715202 -0.149409 -0.374167
C 1.936459 0.363361 1.379687
C 4.501999 1.046744 -1.009587
C 2.251202 -0.870549 2.272371
C 1.351802 0.413804 -1.087745
C 3.876974 -1.464483 -1.177677
C 2.596726 1.661562 1.909489
C -0.106665 0.492242 -0.696896
C 5.982697 1.061917 -0.569040
C 1.562485 -0.808879 3.654205
C -0.852259 -0.663900 -0.252086
C -2.254367 -0.525834 0.084700
C -0.772603 1.711339 -0.844326
C -2.881728 0.768321 -0.048180
C -2.152510 1.867031 -0.518900
C -0.264081 -1.970271 -0.165267
C -2.997823 -1.670743 0.516639
C -1.011559 -3.075402 0.248494
C -2.387997 -2.925014 0.602398
C -4.948399 2.095965 0.163569
C -6.388245 1.859276 0.611203
H 4.184984 -0.319636 0.612046
H 0.843022 0.510867 1.407975
H 4.014426 1.994652 -0.715928
H 4.462400 0.999099 -2.115597
H 1.906995 -1.776683 1.739954
H 3.346194 -0.972578 2.418270
H 3.512474 -2.324996 -0.588737
H 3.313685 -1.439730 -2.126754
H 4.942291 -1.639480 -1.415870
H 2.272599 1.868232 2.945008
H 3.700485 1.584761 1.911476
H 2.309936 2.525787 1.284070
H 6.071901 1.194139 0.526429
H 6.534076 1.888497 -1.052745
H 6.495199 0.118664 -0.836596
H 1.911849 0.050800 4.254622
H 1.771741 -1.725562 4.235078
H 0.465084 -0.725730 3.544336
H -0.214969 2.568522 -1.235063
H 2.618008 0.607685 -2.600386
H -2.619034 2.847350 -0.647150
H 0.784888 -2.089872 -0.454572
H -4.054346 -1.539534 0.766112
H -0.544718 -4.065851 0.294502
H -2.965677 -3.796901 0.928711
H -4.450633 2.863724 0.791150
H -4.902237 2.421637 -0.895868
H -6.970224 2.794725 0.523382
H -6.868957 1.088203 -0.014580
H -6.419957 1.524591 1.662107


