%chk=000028288.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028288

0 1
 O   -3.084600      -2.039100      0.6343000    
 O   -4.293700     -0.4228000     -0.6811000    
 N    1.589300       1.856500      0.2314000    
 C    1.768300     -0.2144000       1.418300    
 C    1.974600      -1.572600      0.6757000    
 C   0.9171000      0.7574000      0.5809000    
 C    2.721200      -1.477700     -0.6633000    
 C    1.190900     -0.4981000       2.826100    
 C    3.161500      0.4262000       1.641500    
 C  -0.3839000      0.4364000      0.2804000    
 C    2.915900      -2.863600      -1.282900    
 C   -1.093600       1.392500     -0.4955000    
 C   -1.012100     -0.7517000      0.6940000    
 C   0.8836000       2.741800     -0.5045000    
 C  -0.4367000       2.562800     -0.8889000    
 C   -2.431500       1.146500     -0.8504000    
 C   -2.325800     -0.9527000      0.3237000    
 C   -3.015200     -3.0800000E-02 -0.4265000    
 C    3.685500      -2.785500      -2.591800    
 C    1.600000       3.985100     -0.9160000    
 C   -4.330800      -1.696200     -5.2999998E-03
 H    1.061300      -2.137900      0.4981000    
 H    2.569500      -2.222300       1.334900    
 H    2.164700     -0.8440000      -1.362900    
 H    3.709000      -1.027600     -0.5250000    
 H   0.8414000      0.4298000       3.294700    
 H    1.969800     -0.9118000       3.479800    
 H   0.3770000      -1.218700       2.879100    
 H    3.830400     -0.2700000       2.162900    
 H    3.672500      0.7191000      0.7179000    
 H    3.090500       1.322800       2.271400    
 H    1.940900      -3.329900      -1.466200    
 H    3.460300      -3.511300     -0.5858000    
 H  -0.5825000      -1.541700       1.280100    
 H  -0.9461000       3.317100      -1.482500    
 H   -2.999000       1.858400      -1.442500    
 H    4.680400      -2.355800      -2.437500    
 H    3.153800      -2.168100      -3.322900    
 H    3.810100      -3.785700      -3.018300    
 H    2.629400       3.987600     -0.5425000    
 H    1.637000       4.059600      -2.007500    
 H    1.092800       4.867600     -0.5135000    
 H   -5.119400      -1.667100      0.7554000    
 H   -4.575800      -2.474800     -0.7367000    


%chk=000028288-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028288

0 1
O -3.141819 -2.144712 0.432188
O -4.327932 -0.508383 -0.863007
N 1.578119 1.912820 0.280169
C 1.924723 -0.182218 1.514140
C 2.174301 -1.575697 0.829194
C 1.012525 0.739682 0.654760
C 2.640437 -1.525681 -0.643385
C 1.299505 -0.391978 2.930197
C 3.306169 0.493412 1.739981
C -0.352356 0.406806 0.271203
C 2.908894 -2.933159 -1.224984
C -1.086200 1.389914 -0.519336
C -1.019054 -0.826961 0.623914
C 0.882566 2.839805 -0.471292
C -0.434800 2.608025 -0.877107
C -2.444150 1.147230 -0.941202
C -2.317232 -1.016342 0.197064
C -3.025316 -0.047432 -0.572637
C 3.369045 -2.894521 -2.698380
C 1.627390 4.112210 -0.825794
C -4.437989 -1.849556 -0.228219
H 1.270609 -2.212195 0.886072
H 2.945345 -2.095785 1.434969
H 1.872716 -1.018805 -1.261721
H 3.561613 -0.916705 -0.729951
H 1.206689 0.577477 3.452820
H 1.961348 -1.041638 3.533335
H 0.299507 -0.855726 2.908348
H 3.938074 -0.179638 2.351078
H 3.821822 0.709716 0.791347
H 3.195687 1.456017 2.265702
H 1.987275 -3.545312 -1.140098
H 3.678120 -3.443035 -0.608901
H -0.525109 -1.600416 1.207281
H -0.971462 3.356328 -1.470866
H -2.982066 1.892838 -1.532597
H 4.302958 -2.310905 -2.805271
H 2.602878 -2.418446 -3.339161
H 3.557217 -3.910182 -3.092867
H 2.642249 4.070366 -0.400939
H 1.708103 4.242158 -1.921333
H 1.113835 5.006735 -0.426150
H -5.233651 -1.818713 0.535560
H -4.622585 -2.602097 -1.013522


