%chk=000048842.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048842

0 1
 O   0.3830000     -0.5610000     -0.6068000    
 O    1.565400       1.887800      0.3470000    
 N   -2.281300      0.1130000      0.1585000    
 C   -1.670800      0.5661000      -1.068500    
 C  -0.1688000      0.7323000     -0.8903000    
 C   0.1515000       1.688800      0.2508000    
 C   -1.990500     -0.3983000      -2.204400    
 C   -3.726700     -4.2800002E-02  1.0100000E-02
 C    1.678000     -0.4839000     -0.1665000    
 C    2.254300      0.7051000      0.2855000    
 C   -4.397800     -0.4926000       1.302300    
 C    2.423100      -1.663400     -0.1730000    
 C    3.589400      0.7250000      0.6898000    
 C   -5.900900     -0.6784000       1.150800    
 C    3.754100      -1.645700      0.2444000    
 C    4.338000     -0.4521000      0.6701000    
 H   -2.077900       1.551200      -1.333600    
 H   0.2818000       1.093600      -1.825500    
 H  -0.3039000       2.669300      7.4900001E-02
 H  -0.1965000       1.323100       1.224900    
 H   -1.871700     -0.7732000      0.4530000    
 H   -1.355500     -0.1876000      -3.073400    
 H   -1.818100      -1.444500      -1.926200    
 H   -3.022000     -0.2973000      -2.558200    
 H   -3.972800     -0.7998000     -0.7416000    
 H   -4.173400      0.9071000     -0.3084000    
 H   -3.958700      -1.439800       1.639300    
 H   -4.209700      0.2446000       2.092500    
 H    1.978500      -2.595400     -0.5112000    
 H    4.049500       1.648300       1.031200    
 H   -6.127400      -1.440300      0.3983000    
 H   -6.341500     -0.9967000       2.100800    
 H   -6.381800      0.2574000      0.8487000    
 H    4.338000      -2.561500      0.2339000    
 H    5.375700     -0.4404000      0.9907000    


%chk=000048842-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048842

0 1
O 0.389555 -0.578419 -0.683946
O 1.510762 1.896500 0.387804
N -2.338467 -0.033927 -0.033438
C -1.706686 0.511427 -1.258137
C -0.210604 0.756270 -0.977422
C 0.053015 1.690911 0.209848
C -1.891161 -0.351410 -2.537206
C -3.814380 -0.100973 -0.018205
C 1.699743 -0.515575 -0.154303
C 2.249364 0.693793 0.355166
C -4.330924 -0.506724 1.377613
C 2.467149 -1.698175 -0.145107
C 3.572534 0.713783 0.841984
C -5.870929 -0.594556 1.433993
C 3.786917 -1.678314 0.356047
C 4.343108 -0.468942 0.840346
H -2.161328 1.507949 -1.441916
H 0.286982 1.158533 -1.883843
H -0.359561 2.696003 0.026717
H -0.387628 1.266495 1.128916
H -1.901425 -0.928813 0.230059
H -1.472002 0.157488 -3.425929
H -1.376894 -1.321680 -2.422989
H -2.962346 -0.537900 -2.730711
H -4.237532 -0.807587 -0.775155
H -4.205137 0.905323 -0.273209
H -3.892807 -1.487513 1.655927
H -3.957227 0.226217 2.117344
H 2.018993 -2.615374 -0.540752
H 3.972205 1.658357 1.224288
H -6.256280 -1.345078 0.718067
H -6.218080 -0.881668 2.442853
H -6.334133 0.378375 1.182740
H 4.378550 -2.599619 0.360735
H 5.369251 -0.447177 1.221724


