%chk=000095005.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095005

0 1
 O    1.465200      -1.520600     -0.6115000    
 O    3.925400     -0.3241000      -1.285700    
 N    2.502400      0.2658000      0.4699000    
 N   -4.707200      0.6207000     -0.9516000    
 N    4.473100       1.405700      0.1240000    
 C  -0.9594000     -0.2167000      0.7137000    
 C   0.3889000     -0.5178000       1.312800    
 C   -1.337800       1.103100      0.5127000    
 C   -1.804100      -1.263200      0.3716000    
 C   -3.444500      0.3387000     -0.3899000    
 C   -2.586800       1.382300     -4.1999999E-02
 C   -3.053000     -0.9841000     -0.1831000    
 C    1.485600     -0.6721000      0.2762000    
 C    3.652200      0.3822000     -0.3171000    
 H   0.3466000      -1.455700       1.881800    
 H   0.6379000      0.2527000       2.052600    
 H  -0.6759000       1.922600      0.7785000    
 H   -1.508100      -2.296900      0.5269000    
 H   -2.880000       2.417200     -0.1988000    
 H   -3.712100      -1.806100     -0.4506000    
 H    2.415200      0.9261000       1.237400    
 H   -5.329900     -0.1356000      -1.202700    
 H   -4.992200       1.579600      -1.100600    
 H    4.230000       1.977700      0.9257000    
 H    5.347800       1.615600     -0.3450000    


%chk=000095005-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095005

0 1
O 2.705272 -1.560612 1.961429
O 4.278359 0.353601 0.317280
N 1.916100 0.040602 0.415464
N -3.815845 1.330169 -1.348548
N 2.903046 1.185568 -1.370179
C -0.785921 -0.434724 1.095733
C 0.304700 -1.057960 1.948734
C -1.282200 0.870035 1.361328
C -1.337807 -1.129616 -0.015120
C -2.825456 0.755978 -0.551716
C -2.278479 1.461974 0.559890
C -2.334369 -0.555441 -0.826774
C 1.770062 -0.899312 1.451787
C 3.134463 0.502863 -0.173581
H 0.153650 -2.145665 2.068742
H 0.293600 -0.633910 2.971119
H -0.887246 1.430363 2.218181
H -0.983293 -2.142755 -0.242754
H -2.644915 2.468073 0.798146
H -2.745928 -1.122545 -1.670915
H 1.034219 0.443305 0.078406
H -4.229302 0.813371 -2.119045
H -4.188256 2.250589 -1.134431
H 2.008820 1.183985 -1.857653
H 3.716026 1.589165 -1.830323


