%chk=000100928.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100928

0 1
 O  -0.1916000      -2.185400     -0.6223000    
 O   -1.319200       2.396800      0.2502000    
 O    3.750100      -1.187600       1.031900    
 O   0.9139000      0.8287000      -1.715300    
 N    1.572600      0.5485000      0.4902000    
 C  -0.7222000      0.1157000     -0.1945000    
 C    2.949800      0.9463000      0.3057000    
 C   0.6353000      0.5161000     -0.5463000    
 C   -1.087600      -1.229600     -0.2465000    
 C   -1.655500       1.077300      0.1930000    
 C    3.814000     -0.2558000     -3.9799999E-02
 C   -2.386100      -1.613100      8.9000002E-02
 C   -2.954000      0.6936000      0.5283000    
 C   -3.319300     -0.6516000      0.4764000    
 H    3.274900       1.393200       1.250800    
 H    3.010600       1.700900     -0.4846000    
 H    1.277100      0.2829000       1.425500    
 H    4.857200      4.5499999E-02 -0.1707000    
 H    3.475800     -0.7532000     -0.9545000    
 H   -2.677300      -2.659200      5.0600000E-02
 H   -3.691600       1.431700      0.8319000    
 H   -4.330400     -0.9504000      0.7375000    
 H   0.6721000      -1.786400     -0.8154000    
 H   -2.093500       2.910100      0.5383000    
 H    2.821200      -1.459500       1.126900    


%chk=000100928-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100928

0 1
O -0.923852 -2.088273 -1.776973
O -0.604216 1.597883 1.413195
O 3.826610 0.250726 1.895643
O 1.256393 -0.939165 -1.431210
N 1.533028 0.831324 0.030897
C -0.696145 -0.228028 -0.190715
C 2.954695 0.984074 -0.327205
C 0.743581 -0.123877 -0.552732
C -1.482499 -1.245351 -0.852166
C -1.368787 0.600075 0.756306
C 3.864974 0.007528 0.446451
C -2.863658 -1.397907 -0.559336
C -2.736431 0.451962 1.048913
C -3.475820 -0.555449 0.379895
H 3.250542 2.022073 -0.094650
H 3.073187 0.805413 -1.411351
H 1.081760 1.469425 0.698082
H 4.915220 0.175405 0.156240
H 3.586422 -1.036347 0.201910
H -3.417799 -2.179903 -1.084129
H -3.223607 1.104560 1.783482
H -4.541148 -0.675367 0.603057
H 0.087436 -1.819492 -1.853837
H -1.165311 2.126425 2.030500
H 2.921724 0.017787 2.226033


