%chk=000059927.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059927

0 1
 O    2.089500     -0.4912000      0.3496000    
 O    1.615500      -1.450700      -1.697800    
 N   0.3002000       3.161100       1.276100    
 C   0.2483000      0.3060000     -0.8235000    
 C   0.5906000       1.760800     -0.6974000    
 C   0.1392000       1.207300      -2.017200    
 C  -0.3014000       2.702100      2.6900001E-02
 C   -1.014600     -0.2062000     -0.2207000    
 C    1.378800     -0.6503000     -0.8030000    
 C   -1.264500     -1.9400001E-02   1.138900    
 C   -1.945900     -0.8745000      -1.015700    
 C   -2.445400     -0.5011000       1.703600    
 C   -3.127000      -1.356000     -0.4508000    
 C    3.217600      -1.358700      0.5010000    
 C   -3.376600      -1.169200      0.9088000    
 C    3.895700      -1.060000       1.821100    
 H    1.632800       2.062900     -0.6576000    
 H  -0.8384000       1.500900      -2.383500    
 H   0.8809000       1.124700      -2.804400    
 H   -1.318100       2.345400      0.2027000    
 H  -0.4259000       3.588900     -0.6080000    
 H  -0.5385000      0.4676000       1.783300    
 H   -1.762800      -1.033000      -2.075200    
 H  -0.3182000       3.841300       1.716400    
 H    1.167200       3.659100       1.076800    
 H   -2.636300     -0.3627000       2.763800    
 H   -3.851500      -1.877900      -1.069200    
 H    2.880900      -2.401300      0.4853000    
 H    3.920300      -1.190800     -0.3227000    
 H   -4.295100      -1.546100       1.349000    
 H    4.764700      -1.707000       1.969800    
 H    4.221600     -1.5300000E-02   1.858800    
 H    3.199300      -1.205700       2.653400    


%chk=000059927-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059927

0 1
O 1.845822 -0.921684 0.313227
O 2.810742 0.534962 -1.225018
N -0.270455 3.695011 0.770132
C 0.408707 0.681446 -0.772157
C 0.417686 2.213640 -1.085656
C 0.127886 1.227485 -2.202289
C -0.652986 3.154200 -0.555656
C -0.712383 0.043933 0.009515
C 1.794286 0.119336 -0.607869
C -1.017677 0.476028 1.325434
C -1.444357 -1.033644 -0.548902
C -2.033589 -0.166188 2.067802
C -2.458771 -1.677809 0.193417
C 3.194028 -1.527814 0.540246
C -2.754345 -1.247341 1.508082
C 3.002054 -2.638490 1.567809
H 1.430806 2.636679 -1.105384
H -0.906414 1.133793 -2.549668
H 0.902301 1.061785 -2.956180
H -1.609040 2.610794 -0.444158
H -0.817180 3.944778 -1.328622
H -0.473897 1.334426 1.737668
H -1.210689 -1.371195 -1.566071
H -1.012195 4.239039 1.223416
H 0.617112 4.209990 0.756417
H -2.263855 0.176135 3.083580
H -3.014584 -2.512890 -0.248497
H 3.574971 -1.902627 -0.427210
H 3.877438 -0.734125 0.893144
H -3.540174 -1.745899 2.087431
H 3.971093 -3.127427 1.777649
H 2.602086 -2.233660 2.512981
H 2.298471 -3.401667 1.193987


