%chk=000048114.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048114

0 1
 O   1.3000000E-03  -1.881000       1.858900    
 N   2.4000000E-02  -3.564900      0.2911000    
 C  -3.5999999E-03   1.630100      0.3557000    
 C    1.290900      0.8791000     -1.1700000E-02
 C   -1.295600      0.8747000     -1.1900000E-02
 C   1.3000000E-03  -1.271300     -0.4571000    
 C    1.271900     -0.4617000     -0.4304000    
 C   -1.272200     -0.4661000     -0.4299000    
 C  -5.7999999E-03   2.997100     -0.3855000    
 C  -4.1000000E-03   1.871000       1.882000    
 C    2.546200       1.519000      8.4500000E-02
 C   -2.553100       1.510800      8.3600000E-02
 C    2.475700      -1.105500     -0.7848000    
 C   -2.473900      -1.114200     -0.7835000    
 C   2.3000001E-03  -2.248300      0.6866000    
 C    3.732100      0.8704000     -0.2648000    
 C   -3.736900      0.8582000     -0.2652000    
 C    3.696200     -0.4423000     -0.7093000    
 C   -3.696700     -0.4550000     -0.7083000    
 H   1.8000000E-03  -1.808900      -1.416700    
 H   0.8625000       3.615500     -0.1365000    
 H  -5.7999999E-03   2.852900      -1.473300    
 H  -0.8759000       3.612800     -0.1362000    
 H   0.8752000       2.439500       2.206600    
 H  -0.8854000       2.436300       2.206500    
 H  -2.4000001E-03  0.9239000       2.435100    
 H    2.623400       2.542000      0.4436000    
 H   -2.633600       2.533800      0.4419000    
 H    2.463700      -2.142600      -1.113200    
 H   -2.458500      -2.151600      -1.110900    
 H    4.680400       1.393500     -0.1853000    
 H   -4.687000       1.378300     -0.1862000    
 H    4.613900     -0.9539000     -0.9821000    
 H   -4.612700     -0.9698000     -0.9806000    
 H   3.2299999E-02  -4.312800      0.9768000    
 H   3.0099999E-02  -3.845700     -0.6841000    


%chk=000048114-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048114

0 1
O 0.003146 -1.703849 2.001587
N 0.013465 -3.554585 0.609726
C -0.002955 1.611339 0.390411
C 1.280680 0.881699 -0.069610
C -1.283406 0.875943 -0.069266
C 0.003526 -1.309361 -0.456756
C 1.275811 -0.473895 -0.491844
C -1.272472 -0.479678 -0.491286
C -0.006238 3.068560 -0.169450
C -0.002919 1.666660 1.957346
C 2.531025 1.557658 -0.041062
C -2.536813 1.546178 -0.040325
C 2.479525 -1.099580 -0.904151
C -2.473479 -1.110979 -0.902897
C 0.006085 -2.187055 0.835750
C 3.729366 0.930217 -0.436235
C -3.732424 0.913153 -0.434856
C 3.706705 -0.410384 -0.883865
C -3.703805 -0.427446 -0.882183
H 0.004829 -1.995289 -1.327172
H 0.874757 3.632549 0.179987
H -0.006453 3.071939 -1.273962
H -0.889575 3.628671 0.180310
H 0.892915 2.204162 2.319937
H -0.900580 2.201037 2.320036
H -0.001164 0.645884 2.374868
H 2.577131 2.596515 0.299706
H -2.587564 2.584853 0.300358
H 2.449726 -2.145053 -1.236911
H -2.439001 -2.156393 -1.235392
H 4.673812 1.484462 -0.398426
H -4.679391 1.463058 -0.396724
H 4.628569 -0.907061 -1.205559
H -4.623534 -0.928439 -1.203292
H 0.016467 -4.181760 1.414590
H 0.016232 -3.950428 -0.327986


