%chk=000037994.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037994

0 1
 O    3.002100       1.247600       1.188000    
 O    2.225800      -2.311500      -1.177500    
 O    2.847100      -1.639300      0.8978000    
 O   -1.075500       1.423800      -1.873200    
 N  -0.4962000      0.7620000      4.4199999E-02
 N  -0.6495000       1.790400     -0.7715000    
 C   0.6474000      0.8646000      0.9407000    
 C   -1.718800      0.5041000      0.8193000    
 C    1.972600       1.106100      0.2085000    
 C   -2.697400     -0.3377000      2.0999999E-03
 C   -3.968400     -0.6359000      0.7984000    
 C    2.371300      3.3399999E-02 -0.8134000    
 C   -4.962700      -1.443500     -2.0600000E-02
 C    2.502200      -1.364200     -0.2427000    
 H   0.7440000     -5.0600000E-02   1.539700    
 H   0.5014000       1.673200       1.672600    
 H    1.932500       2.071100     -0.3114000    
 H   -2.188600       1.433900       1.170300    
 H   -1.482900     -7.5400002E-02   1.722800    
 H   -2.221700      -1.281100     -0.2949000    
 H   -2.988200      0.1818000     -0.9178000    
 H   -4.441100      0.3025000       1.111300    
 H   -3.716100      -1.191800       1.708800    
 H    3.346600      0.2797000      -1.249700    
 H    1.636900      9.8999999E-03  -1.626000    
 H   -5.861900      -1.647700      0.5691000    
 H   -5.263900     -0.8990000     -0.9213000    
 H   -4.531800      -2.402300     -0.3262000    
 H    3.831300       1.440800      0.7183000    
 H    2.326400      -3.218900     -0.8186000    


%chk=000037994-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037994

0 1
O 3.001299 0.496468 1.085614
O 2.883745 -2.226361 -0.947615
O 0.730370 -2.014005 -0.111875
O -1.439436 2.633307 -1.314342
N -0.527246 1.412263 0.339876
N -0.346916 2.219331 -0.761727
C 0.686380 0.933225 1.031106
C -1.871626 1.050949 0.850229
C 1.947357 0.914252 0.144275
C -2.435800 -0.227107 0.183681
C -3.796452 -0.632211 0.795702
C 1.873623 -0.043629 -1.079278
C -4.386127 -1.893212 0.128513
C 1.726219 -1.490482 -0.662466
H 0.491032 -0.088360 1.399897
H 0.903452 1.576344 1.906163
H 2.145342 1.929709 -0.247594
H -2.539016 1.907965 0.644806
H -1.788165 0.913422 1.944170
H -1.708844 -1.055053 0.291112
H -2.556494 -0.037931 -0.900212
H -4.512018 0.209192 0.696326
H -3.671914 -0.813054 1.883406
H 2.785452 0.069108 -1.689417
H 1.006280 0.249703 -1.696191
H -5.354824 -2.172760 0.581680
H -4.552963 -1.727047 -0.952084
H -3.699894 -2.754070 0.233750
H 3.868439 0.452097 0.609312
H 2.761644 -3.166054 -0.639716


