%chk=000095675.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095675

0 1
 O   0.1943000       1.966700     -0.7093000    
 O    1.409800      -2.461700      4.8300002E-02
 N   0.8560000     -0.2259000     -0.3558000    
 N   -1.445600      0.3860000     -0.2413000    
 N   -3.113000      -1.320300      0.2554000    
 C    2.245800      0.1632000     -0.5721000    
 C  -0.1144000      0.7973000     -0.4550000    
 C    2.934200      0.5972000      0.7164000    
 C   -2.506700       1.392200     -0.3308000    
 C   -1.805900     -0.9342000      5.2000001E-02
 C   0.5824000      -1.558800     -5.8200002E-02
 C  -0.8446000      -1.868700      0.1417000    
 C    4.378200       1.025500      0.4965000    
 C   -2.770400       2.041400       1.012200    
 H    2.289900      0.9740000      -1.308700    
 H    2.788700     -0.6856000      -1.005300    
 H    2.382300       1.428700       1.171000    
 H    2.911500     -0.2236000       1.443400    
 H   -2.185800       2.174600      -1.029500    
 H   -3.418000      0.9755000     -0.7710000    
 H   -1.082900      -2.904100      0.3690000    
 H    4.433100       1.873700     -0.1931000    
 H    4.833400       1.327100       1.444900    
 H    4.969900      0.2042000      7.9999998E-02
 H   -3.112400       1.308400       1.749600    
 H   -1.865300       2.513600       1.408700    
 H   -3.541500       2.812200      0.9172000    
 H   -3.852800     -0.6355000      0.3178000    
 H   -3.320800      -2.287600      0.4732000    


%chk=000095675-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095675

0 1
O 0.158850 1.988201 -0.685777
O 1.547994 -2.448040 -0.011735
N 0.854250 -0.228731 -0.371510
N -1.468589 0.363370 -0.234523
N -3.132056 -1.261387 0.287524
C 2.271081 0.169927 -0.584375
C -0.113201 0.774051 -0.442183
C 2.958765 0.612977 0.725726
C -2.498300 1.429665 -0.341850
C -1.794842 -0.962120 0.081712
C 0.585066 -1.621490 -0.066319
C -0.802466 -1.932483 0.162268
C 4.429819 1.007367 0.477157
C -2.895825 2.025317 1.025708
H 2.280993 0.994200 -1.317170
H 2.786188 -0.712502 -0.999348
H 2.405528 1.470628 1.152769
H 2.909077 -0.217852 1.453968
H -2.048522 2.221260 -0.961715
H -3.368997 1.027905 -0.892955
H -1.048055 -2.964271 0.417472
H 4.503238 1.848231 -0.237944
H 4.919791 1.320766 1.416475
H 5.005121 0.157708 0.064198
H -3.291602 1.265839 1.724344
H -2.017482 2.497144 1.497107
H -3.668051 2.803454 0.887471
H -3.851611 -0.549235 0.354265
H -3.386761 -2.224401 0.486442


