%chk=000022444.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022444

0 1
 O   0.8901000       2.131200      0.9358000    
 O  -4.1400000E-02   2.358600      -1.046900    
 N   0.2638000       1.708200     -4.1700002E-02
 C   0.8246000     -0.6105000     -0.6265000    
 C    1.761500      -1.236400      0.4098000    
 C  -0.1466000      0.3398000     -5.7999999E-03
 C   -1.354100      0.1421000      0.5385000    
 C   -2.048400      -1.185500      0.6511000    
 C    2.758500      -2.181600     -0.2429000    
 C   -2.908000      -1.465900     -0.5714000    
 H    1.410600     -0.1107000      -1.408800    
 H   0.2735000      -1.409100      -1.139100    
 H    1.183600      -1.788200       1.160500    
 H    2.313800     -0.4528000      0.9423000    
 H   -1.926100      0.9887000      0.9174000    
 H   -1.319800      -1.994200      0.7775000    
 H   -2.670500      -1.186100       1.553400    
 H    2.244100      -2.999300     -0.7578000    
 H    3.381100      -1.653000     -0.9719000    
 H    3.418000      -2.618000      0.5137000    
 H   -3.419500      -2.427300     -0.4598000    
 H   -3.670900     -0.6913000     -0.7045000    
 H   -2.304400      -1.509600      -1.484000    


%chk=000022444-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022444

0 1
O -0.448228 2.585260 0.479134
O 1.538535 1.936612 -0.423229
N 0.342652 1.681932 0.001734
C 0.896637 -0.715060 -0.624052
C 1.972155 -1.146604 0.414236
C -0.119771 0.256587 -0.074933
C -1.383377 0.007216 0.372045
C -2.072120 -1.332083 0.406875
C 2.987907 -2.135116 -0.194586
C -3.402606 -1.316865 -0.394520
H 1.409613 -0.255986 -1.488658
H 0.366054 -1.611993 -0.993262
H 1.471986 -1.606968 1.288861
H 2.499050 -0.245132 0.777647
H -1.960730 0.869089 0.736416
H -1.413998 -2.137011 0.035342
H -2.304120 -1.574218 1.465019
H 2.487646 -3.051938 -0.560405
H 3.521715 -1.677594 -1.048217
H 3.743793 -2.437698 0.552197
H -3.915189 -2.291322 -0.308341
H -4.086407 -0.535657 -0.015931
H -3.217696 -1.116352 -1.464472


