%chk=000048932.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048932

0 1
 O   0.6448000     -6.3000001E-02  0.1722000    
 O    1.496600       1.982900      0.7952000    
 N   -3.404300      0.8260000     -0.5282000    
 C   -3.092600     -0.3117000      0.3459000    
 C   -4.046000      -1.483700      7.5000003E-02
 C   -5.503800      -1.055800      0.2210000    
 C   -5.787100      0.1790000     -0.6275000    
 C   -4.779300       1.289700     -0.3414000    
 C   -1.643400     -0.7362000      0.1156000    
 C  -0.6773000      0.3931000      0.4228000    
 C    1.641800      0.8365000      0.4001000    
 C    2.968300      0.2402000      0.1007000    
 C    3.985300       1.062800     -0.3386000    
 C    3.142900      -1.117800      0.2716000    
 C    5.231500      0.5029000     -0.6198000    
 C    4.389200      -1.677700     -9.4999997E-03
 C    5.433500     -0.8673000     -0.4551000    
 H   -3.199900      2.4000001E-03   1.392700    
 H   -3.838200      -2.305900      0.7700000    
 H   -3.885600      -1.875900     -0.9380000    
 H   -5.715500     -0.8329000       1.274000    
 H   -6.167600      -1.875700     -7.4500002E-02
 H   -5.746400     -9.1100000E-02  -1.690400    
 H   -6.802600      0.5395000     -0.4283000    
 H   -4.964100       2.133300      -1.015300    
 H   -4.908700       1.669300      0.6793000    
 H   -1.491600      -1.076400     -0.9176000    
 H   -1.398500      -1.600300      0.7469000    
 H   -3.276200      0.5473000      -1.501300    
 H  -0.8700000       1.264700     -0.2124000    
 H  -0.7663000      0.6901000       1.474600    
 H    3.839300       2.130400     -0.4738000    
 H    2.350500      -1.768000      0.6299000    
 H    6.044500       1.133600     -0.9674000    
 H    4.547700      -2.744200      0.1216000    
 H    6.404000      -1.303400     -0.6734000    


%chk=000048932-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048932

0 1
O 0.662063 -0.081327 0.161089
O 1.522254 2.039067 0.604589
N -3.475056 0.749001 -0.684611
C -3.151497 -0.260238 0.366258
C -4.133276 -1.466356 0.357483
C -5.601514 -0.980032 0.445626
C -5.917652 0.055891 -0.661383
C -4.885679 1.214682 -0.624690
C -1.680931 -0.708415 0.217811
C -0.710356 0.459060 0.399052
C 1.707882 0.835140 0.294307
C 3.039958 0.214847 0.027493
C 4.188173 1.044553 0.111626
C 3.182257 -1.158531 -0.300726
C 5.468288 0.505917 -0.130815
C 4.465594 -1.693534 -0.541621
C 5.609581 -0.864248 -0.457615
H -3.268949 0.259873 1.342386
H -3.903175 -2.146622 1.201819
H -3.983493 -2.045976 -0.578049
H -5.768209 -0.510873 1.437804
H -6.294551 -1.840275 0.379710
H -5.877601 -0.437206 -1.654804
H -6.943594 0.454954 -0.535795
H -5.055438 1.921687 -1.457586
H -5.010363 1.785055 0.317744
H -1.529039 -1.158520 -0.784479
H -1.459360 -1.496820 0.961545
H -3.256474 0.366221 -1.619248
H -0.910830 1.272793 -0.317547
H -0.749694 0.881678 1.420068
H 4.052100 2.100747 0.366880
H 2.289742 -1.787356 -0.361590
H 6.353011 1.148498 -0.065869
H 4.575965 -2.753724 -0.794540
H 6.604763 -1.282911 -0.645719


