%chk=000000397.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000397

0 1
 O    2.449400     -0.3498000       1.424200    
 N  -0.9319000       2.045100      0.1523000    
 N    4.053300     -0.8356000     -0.1479000    
 C  -0.5695000     -0.1112000     -0.2904000    
 C   0.6391000      0.6137000     -0.4876000    
 C   -1.539200      0.8103000      0.1107000    
 C    1.938900      5.7399999E-02 -0.9152000    
 C   0.3844000       1.936500     -0.2077000    
 C  -0.9326000      -1.466900     -0.4149000    
 C   -2.859200      0.4423000      0.3948000    
 C   -2.249400      -1.849600     -0.1343000    
 C   -3.196100     -0.9080000      0.2642000    
 C    2.813000     -0.3842000      0.2518000    
 H    1.790500     -0.8056000      -1.575400    
 H    2.495800      0.8064000      -1.492500    
 H    1.020100       2.810700     -0.2311000    
 H   -1.392200       2.906800      0.4114000    
 H  -0.2070000      -2.214200     -0.7230000    
 H   -3.596900       1.174500      0.7051000    
 H   -2.535200      -2.893900     -0.2283000    
 H   -4.213200      -1.227300      0.4773000    
 H    4.332600     -0.8590000      -1.123500    
 H    4.733500      -1.162300      0.5302000    


%chk=000000397-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000397

0 1
O 4.155163 -0.780236 -0.941350
N -0.956941 1.954045 0.458508
N 2.680617 -0.759401 0.853860
C -0.365464 -0.072941 -0.414046
C 0.765441 0.835451 -0.554964
C -1.430351 0.656152 0.225674
C 2.094550 0.530054 -1.193519
C 0.359825 2.056749 -0.012540
C -0.579101 -1.431770 -0.771030
C -2.683453 0.070395 0.513147
C -1.826604 -2.020521 -0.489214
C -2.866816 -1.278160 0.146512
C 3.065271 -0.397524 -0.421728
H 1.959921 0.054631 -2.183733
H 2.660458 1.460635 -1.385385
H 0.912861 2.991695 0.062777
H -1.487533 2.706887 0.890780
H 0.213470 -2.011876 -1.256684
H -3.486563 0.635800 0.999014
H -2.007650 -3.066371 -0.760503
H -3.826084 -1.765967 0.352227
H 1.783183 -0.463887 1.237462
H 3.294001 -1.367741 1.394936


