%chk=000044524.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044524

0 1
 O    2.643300     -0.9214000     -0.4516000    
 N   -3.948800     -0.1304000     -0.1893000    
 C   -1.548300      0.3050000     -0.4248000    
 C  -0.1457000     -0.1308000      4.6000001E-03
 C   -2.621600     -0.5559000      0.2391000    
 C   0.9304000      0.7542000     -0.6306000    
 C    2.312800      0.3512000     -0.1830000    
 C   -4.193900       1.260200      0.1975000    
 C   -4.978100      -1.003700      0.3773000    
 C    3.292800       1.034800      0.4441000    
 C    4.350600      0.1057000      0.5887000    
 C    3.906300      -1.069000      2.8000001E-02
 H   -1.635500      0.2416000      -1.516700    
 H   -1.650200       1.359200     -0.1468000    
 H   1.2200000E-02  -1.178900     -0.2793000    
 H  -6.2799998E-02 -8.3400004E-02   1.098000    
 H   -2.520400     -0.5080000       1.331500    
 H   -2.457900      -1.600600     -5.4900002E-02
 H   0.7573000       1.803900     -0.3642000    
 H   0.8800000      0.6838000      -1.723800    
 H   -3.620300       1.962800     -0.4143000    
 H   -3.983100       1.445000       1.257200    
 H   -5.243100       1.525800      1.7999999E-02
 H   -4.991800     -0.9698000       1.472800    
 H   -4.816500      -2.041800      6.5899998E-02
 H   -5.970500     -0.7192000      1.0100000E-02
 H    3.274400       2.065900      0.7660000    
 H    5.316000      0.2714000       1.044500    
 H    4.344100      -2.048000     -0.1021000    


%chk=000044524-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044524

0 1
O 2.756726 -0.991018 -0.523207
N -4.015497 -0.096128 -0.145823
C -1.539695 0.389183 -0.357074
C -0.131756 -0.054732 0.097338
C -2.653413 -0.405562 0.355095
C 0.992538 0.751536 -0.609512
C 2.376759 0.338711 -0.212700
C -4.456053 1.276659 0.174412
C -5.005007 -1.098882 0.300003
C 3.435908 0.970515 0.421245
C 4.523946 0.015038 0.517295
C 4.078005 -1.158130 -0.062567
H -1.652483 0.242909 -1.449324
H -1.654852 1.474586 -0.163817
H 0.012403 -1.131373 -0.117040
H -0.030744 0.067781 1.194472
H -2.574419 -0.238745 1.463852
H -2.475923 -1.485439 0.183159
H 0.879805 1.827582 -0.378971
H 0.867497 0.645596 -1.706466
H -3.772732 2.016084 -0.275671
H -4.506499 1.475740 1.276972
H -5.461832 1.447585 -0.249452
H -5.143988 -1.126526 1.412029
H -4.689568 -2.105149 -0.029110
H -5.986804 -0.881833 -0.158342
H 3.440010 1.999069 0.777513
H 5.504558 0.182898 0.958630
H 4.514810 -2.138355 -0.231038


