%chk=000128909.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128909

0 1
 O    2.320700      1.7800000E-02  0.8850000    
 O    2.641100      -1.634800      -1.624900    
 O    4.835700      0.9416000       1.721800    
 O   -3.845100      0.5063000     -6.9999998E-04
 O   -4.181400      -1.723700      0.3779000    
 N   7.1699999E-02 -0.2481000      0.1624000    
 N   -1.233700      -2.044000      0.4579000    
 N   -1.630700       1.444700     -0.1420000    
 N   -3.592200       2.729100     -0.3792000    
 C    1.292100      0.5531000      3.5999998E-02
 C    3.045800     -0.2982000      -1.345300    
 C    1.841800      0.6167000      -1.386500    
 C    3.505800     -0.2146000      0.1016000    
 C    4.472300      0.9368000      0.3508000    
 C   -1.219000      0.1867000      7.7000000E-02
 C   8.2000000E-03  -1.603500      0.3939000    
 C   -1.987100     -0.9253000      0.2604000    
 C   -3.408800     -0.7863000      0.2243000    
 C   -2.936900       1.545800     -0.1705000    
 H    1.043500       1.554900      0.4045000    
 H    3.814800     -2.3300000E-02  -2.073100    
 H    2.172700       1.642100      -1.590600    
 H    1.105500      0.3392000      -2.147500    
 H    3.941800      -1.154800      0.4573000    
 H    4.011500       1.906100      0.1370000    
 H    5.379700      0.8379000     -0.2527000    
 H   0.8920000      -2.216100      0.5084000    
 H    3.429700      -2.199300      -1.553800    
 H    5.281500      9.8499998E-02   1.911500    
 H   -4.605200       2.774300     -0.3954000    
 H   -3.083200       3.594400     -0.5226000    


%chk=000128909-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128909

0 1
O 2.101111 0.418886 0.612476
O 2.924292 -2.057335 -1.259200
O 4.363975 1.658610 1.688913
O -3.770350 0.652430 0.589593
O -4.366234 -1.630941 0.600826
N 0.042684 -0.325479 -0.415644
N -1.301151 -2.168010 -0.184250
N -1.549618 1.480396 0.083817
N -3.351541 2.906809 0.610285
C 1.225297 0.522729 -0.582639
C 3.306690 -0.635054 -1.218457
C 2.121395 0.167080 -1.795007
C 3.447714 -0.094878 0.221776
C 4.442818 1.073513 0.354760
C -1.217672 0.157587 -0.067191
C -0.066347 -1.739088 -0.465992
C -2.041723 -0.990518 0.069078
C -3.424487 -0.863836 0.415310
C -2.835243 1.656256 0.412981
H 0.837889 1.554840 -0.616373
H 4.234480 -0.479443 -1.805116
H 2.489757 1.096050 -2.261542
H 1.587543 -0.418614 -2.558790
H 3.698396 -0.886362 0.952087
H 4.238213 1.837539 -0.428591
H 5.482236 0.718028 0.242354
H 0.792868 -2.356869 -0.716370
H 3.643876 -2.611366 -0.864840
H 3.398797 1.784499 1.891087
H -4.330652 3.012982 0.862410
H -2.740413 3.713562 0.515148


