%chk=000117211.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117211

0 1
 O  -0.3959000       1.228200      9.6100003E-02
 O    2.435800     -0.7952000     -0.3005000    
 O  -0.6650000       2.896600      -1.459100    
 O    3.782900      -1.127700       1.536500    
 N  -0.7552000       3.332800      0.8177000    
 N    4.650500     -0.3954000     -0.4630000    
 C   7.7999998E-03  -1.149500     -0.4045000    
 C   -1.161600      -1.624400      0.5072000    
 C  -0.2286000      0.2797000     -0.9495000    
 C    1.299800      -1.199500      0.4531000    
 C   -2.551800      -1.641200     -0.1408000    
 C   0.1763000      -2.097500      -1.609800    
 C   -3.622200      -2.065200      0.8681000    
 C   -5.000400      -2.120600      0.2282000    
 C  -0.6112000       2.525700     -0.2911000    
 C    3.632600     -0.8027000      0.3634000    
 C  -0.9939000       4.756000      0.7481000    
 H  -0.9396000      -2.635900      0.8741000    
 H   -1.202500     -0.9827000       1.397700    
 H   0.6276000      0.5864000      -1.564600    
 H   -1.112500      0.2996000      -1.598200    
 H    1.463600      -2.222300      0.8166000    
 H    1.198200     -0.5405000       1.324700    
 H   -2.807300     -0.6476000     -0.5234000    
 H   -2.563500      -2.334200     -0.9889000    
 H  -0.6981000      -2.073400      -2.268300    
 H   0.3188000      -3.132400      -1.279300    
 H    1.042600      -1.821700      -2.221400    
 H   -3.377800      -3.052300       1.277700    
 H   -3.642800      -1.360800       1.707700    
 H   -5.289600      -1.141000     -0.1656000    
 H   -5.022400      -2.842200     -0.5947000    
 H   -5.749100      -2.424500      0.9665000    
 H  -0.6900000       2.902600       1.735100    
 H    5.608600     -0.3411000     -0.1342000    
 H    4.475700     -0.1362000      -1.428100    
 H  -0.1805000       5.264200       1.271700    
 H   -1.938400       4.968500       1.254800    
 H   -1.042200       5.101500     -0.2872000    


%chk=000117211-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117211

0 1
O -0.409612 1.163429 0.117648
O 2.443219 -0.815315 -0.351497
O -0.605820 2.913144 -1.455807
O 3.798013 -0.859366 1.578997
N -0.722376 3.284560 0.867137
N 4.646338 -0.286401 -0.535565
C 0.014103 -1.194338 -0.405632
C -1.174121 -1.622982 0.514347
C -0.202382 0.211729 -1.003922
C 1.276126 -1.196303 0.485834
C -2.576148 -1.620019 -0.135700
C 0.195723 -2.183762 -1.586663
C -3.670342 -2.111501 0.840814
C -5.081305 -2.103159 0.214673
C -0.582870 2.510518 -0.263667
C 3.655995 -0.667418 0.345782
C -0.922745 4.733337 0.796940
H -0.960728 -2.644205 0.894830
H -1.197818 -0.952568 1.396449
H 0.679881 0.532627 -1.584493
H -1.087133 0.239904 -1.664326
H 1.459089 -2.200261 0.912225
H 1.181416 -0.469195 1.310745
H -2.834795 -0.596451 -0.472624
H -2.587293 -2.265569 -1.036809
H -0.668331 -2.157126 -2.274336
H 0.295351 -3.218143 -1.208363
H 1.104966 -1.944298 -2.164589
H -3.421022 -3.137203 1.182046
H -3.662540 -1.472217 1.747322
H -5.366267 -1.083585 -0.106727
H -5.124537 -2.758628 -0.675733
H -5.844749 -2.457096 0.931627
H -0.666726 2.811447 1.768992
H 5.585255 -0.140116 -0.176970
H 4.435664 -0.138721 -1.519300
H -0.101190 5.278729 1.297675
H -1.882999 5.030707 1.258072
H -0.938590 5.019916 -0.266634


