%chk=000130577.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130577

0 1
 O   -6.077100      0.6536000     -0.1097000    
 O   -4.862500       2.350600      -1.010600    
 N   0.7375000      -1.544500      0.8255000    
 N    1.551200       1.173400       1.628500    
 N    2.242500      -1.041900      -1.802800    
 N    2.896700       1.671600     -0.9529000    
 C    1.882500      -2.452700       1.016100    
 C   0.3241000     -0.9155000       2.098400    
 C    2.538300      -2.980600     -0.2747000    
 C  -0.4086000      -2.255700      0.2465000    
 C    1.303600      0.1427000       2.635600    
 C    3.216100      -1.908800      -1.141100    
 C    2.524900       2.160900       2.090900    
 C    2.862000       3.189300      0.9992000    
 C    3.675600       2.630300     -0.1774000    
 C    2.863700     -6.1500002E-02  -2.700000    
 C   -1.590000      -1.344500      4.3699998E-02
 C    3.690300       1.019900      -1.990300    
 C   -1.396900     -8.9400001E-02 -0.5162000    
 C   -2.855400      -1.772800      0.4196000    
 C   -2.491500      0.7544000     -0.7042000    
 C   -3.950000     -0.9289000      0.2316000    
 C   -3.768100      0.3348000     -0.3304000    
 C   -4.909000       1.215400     -0.5253000    
 H    1.583100      -3.311100       1.632300    
 H    2.676000      -1.941700       1.572300    
 H   0.1833000      -1.687100       2.867900    
 H  -0.6371000     -0.3961000       2.030300    
 H    1.826900      -3.561500     -0.8725000    
 H    3.315600      -3.695300      2.7500000E-02
 H  -0.6902000      -3.103400      0.8858000    
 H  -0.1609000      -2.665400     -0.7391000    
 H   0.8702000      0.5964000       3.535500    
 H    2.243500     -0.3315000       2.937800    
 H    3.893100      -1.326000     -0.5075000    
 H    3.825200      -2.417800      -1.897800    
 H    3.450400       1.665700       2.408700    
 H    2.119100       2.694300       2.958800    
 H    3.451800       3.990100       1.463100    
 H    1.942100       3.661100      0.6299000    
 H   0.6774000       1.636100       1.380400    
 H    3.976400       3.463300     -0.8233000    
 H    4.588100       2.163400      0.2126000    
 H    2.055400      0.4324000      -3.253800    
 H    3.482900     -0.5698000      -3.449000    
 H    1.596400      -1.618500      -2.341800    
 H    4.594600      0.5721000      -1.562200    
 H    4.011200       1.760400      -2.732200    
 H    2.511100      0.9603000     -0.3325000    
 H  -0.4146000      0.2526000     -0.8285000    
 H   -3.009800      -2.755000      0.8573000    
 H   -2.328800       1.734000      -1.146300    
 H   -4.926000      -1.295500      0.5369000    
 H   -6.840100       1.255100     -0.2458000    


%chk=000130577-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130577

0 1
O -5.593019 1.319135 -0.590989
O -3.980060 2.643760 -1.605423
N 0.855385 -1.888212 1.157545
N 1.564076 0.975784 1.788323
N 2.049235 -1.087814 -1.866284
N 2.413436 1.677420 -0.971143
C 2.039843 -2.763227 1.050771
C 0.695734 -1.263679 2.489043
C 2.546237 -3.061692 -0.381289
C -0.397186 -2.480411 0.646716
C 1.672433 -0.104643 2.782707
C 3.105796 -1.865155 -1.185836
C 2.246414 2.238724 2.142424
C 2.229562 3.247433 0.971996
C 3.051068 2.801943 -0.257058
C 2.511057 -0.025669 -2.788195
C -1.421202 -1.419206 0.252154
C 3.237086 1.119558 -2.052978
C -0.998147 -0.271139 -0.472107
C -2.793238 -1.571387 0.573475
C -1.935012 0.702958 -0.863281
C -3.736936 -0.599764 0.180806
C -3.311012 0.545413 -0.540340
C -4.264328 1.597998 -0.970363
H 1.863503 -3.747637 1.564521
H 2.863633 -2.272356 1.601703
H 0.791842 -2.013785 3.316770
H -0.334972 -0.863122 2.547476
H 1.760302 -3.569986 -0.978928
H 3.358758 -3.808196 -0.270364
H -0.863735 -3.197439 1.371283
H -0.146584 -3.075145 -0.252821
H 1.449770 0.245139 3.824700
H 2.720919 -0.467443 2.799797
H 3.655351 -1.192867 -0.497821
H 3.861423 -2.254604 -1.917791
H 3.299158 1.994464 2.394884
H 1.807533 2.719789 3.054065
H 2.632413 4.210522 1.342974
H 1.183891 3.434904 0.653174
H 0.592175 1.126203 1.483587
H 3.147840 3.657343 -0.958094
H 4.093764 2.557001 0.085255
H 1.616632 0.391189 -3.287132
H 3.202455 -0.414015 -3.580533
H 1.359210 -1.704583 -2.315039
H 4.236933 0.755003 -1.692897
H 3.455143 1.913932 -2.796462
H 2.113837 0.949807 -0.297031
H 0.067747 -0.171788 -0.714989
H -3.122780 -2.451651 1.139425
H -1.620876 1.591013 -1.422006
H -4.796188 -0.710636 0.429108
H -6.170121 2.062514 -0.912691


