%chk=000053464.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053464

0 1
 O   0.3218000      0.9117000     -0.6831000    
 O   0.9791000      0.3289000       1.462000    
 O    4.054500      0.7048000      -1.939100    
 N    2.586500      0.4997000     -0.2040000    
 N    2.859500      0.7936000      -1.637000    
 C   -1.810100     -0.1433000     -0.2625000    
 C   -3.137500     -2.3499999E-02  0.2134000    
 C    3.692200      0.1507000      0.6745000    
 C    3.911500      -1.360100      0.6757000    
 C  -0.9665000      0.9791000     -0.2341000    
 C   -1.365400      -1.381900     -0.7527000    
 C   -3.582200       1.215200      0.7036000    
 C   -1.425000       2.202100      0.2563000    
 C   -3.981100      -1.145900      0.1851000    
 C   -2.730300       2.319900      0.7243000    
 C    5.049800      -1.753800       1.604300    
 C   -2.217200      -2.486700     -0.7733000    
 C    1.283100      0.5582000      0.2920000    
 C   -3.522700      -2.368900     -0.3054000    
 H    4.599400      0.6899000      0.3798000    
 H    3.450100      0.4816000       1.691800    
 H    2.995300      -1.874300      0.9900000    
 H    4.137000      -1.710500     -0.3385000    
 H  -0.3533000      -1.510300      -1.129600    
 H   -4.598600       1.330400       1.074400    
 H  -0.7687000       3.068000      0.2754000    
 H   -5.005300      -1.076900      0.5458000    
 H    5.988800      -1.284200       1.294100    
 H    4.837600      -1.451700       2.634900    
 H    5.191800      -2.838900       1.590700    
 H   -3.086700       3.272300       1.105900    
 H   -1.861200      -3.438900      -1.155700    
 H   -4.185400      -3.229300     -0.3220000    


%chk=000053464-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053464

0 1
O 0.261218 -0.133594 -0.024664
O 1.672055 1.207875 1.314141
O 3.256678 -1.946618 -1.629219
N 2.543084 -0.365203 -0.185705
N 2.224466 -1.383064 -1.147125
C -2.093309 -0.353859 -0.280095
C -3.450140 0.027011 0.051903
C 3.941376 -0.039235 0.184582
C 4.440048 -0.851956 1.402803
C -1.024972 0.333194 0.394193
C -1.862620 -1.382790 -1.250978
C -3.674975 1.057761 1.024344
C -1.248986 1.335313 1.339170
C -4.533004 -0.643430 -0.607215
C -2.600049 1.691054 1.647759
C 5.900644 -0.489739 1.743614
C -2.942993 -2.013972 -1.872774
C 1.471865 0.322904 0.452026
C -4.287083 -1.643481 -1.550229
H 4.561620 -0.264189 -0.701512
H 3.983752 1.040912 0.400697
H 3.786298 -0.640933 2.269555
H 4.359978 -1.932161 1.179027
H -0.832473 -1.659813 -1.491840
H -4.704904 1.340504 1.270004
H -0.415582 1.836434 1.831964
H -5.560852 -0.355621 -0.356599
H 6.576900 -0.710245 0.896869
H 5.999936 0.583878 1.989571
H 6.253584 -1.068653 2.615249
H -2.776584 2.477243 2.389160
H -2.761984 -2.799681 -2.614195
H -5.122190 -2.148847 -2.047484


