%chk=000047935.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047935

1 1
 O    2.782900      -1.137000      0.6840000    
 N   -1.710800     -0.3000000     -0.2401000    
 N    1.881700      0.8599000     -0.1063000    
 C  -0.3007000     -5.4000001E-02 -0.7569000    
 C   -2.356700       1.028900      0.1245000    
 C   -2.535000     -0.9850000      -1.320700    
 C   -1.650900      -1.190000      0.9930000    
 C   0.5223000      0.6453000      0.3089000    
 C   -3.757900      0.7779000      0.6375000    
 C    2.903000     -5.4000001E-02  0.1173000    
 C    4.222100      0.4080000     -0.4414000    
 H   0.1340000      -1.023600      -1.028900    
 H  -0.3773000      0.5554000      -1.665600    
 H   -1.789700       1.508100      0.9255000    
 H   -2.358900       1.668300     -0.7650000    
 H   -1.966800      -1.848700      -1.681200    
 H   -3.483400      -1.338500     -0.9089000    
 H   -2.697300     -0.2777000      -2.139400    
 H   -1.365700     -0.6002000       1.868500    
 H   -2.630700      -1.647400       1.160600    
 H  -0.9251000      -1.988900      0.8097000    
 H   0.1523000       1.650100      0.5245000    
 H   0.5608000      8.4899999E-02   1.246500    
 H   -4.193300       1.739100      0.9375000    
 H   -4.431700      0.3756000     -0.1233000    
 H   -3.796900      0.1428000       1.526000    
 H    2.092800       1.719700     -0.6049000    
 H    5.029600     -0.2070000     -3.4699999E-02
 H    4.208800      0.3125000      -1.530400    
 H    4.407000       1.451200     -0.1692000    


%chk=000047935-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047935

1 1
O 1.895012 -1.140764 0.370206
N -1.632431 -0.167634 -0.257591
N 1.947074 1.102705 -0.152104
C -0.350948 0.487135 -0.829724
C -2.594192 0.945949 0.232065
C -2.270370 -0.963475 -1.395876
C -1.276507 -1.139315 0.880211
C 0.529337 1.236706 0.210673
C -3.912042 0.448336 0.834549
C 2.575325 -0.131274 -0.005747
C 4.056625 -0.190430 -0.315978
H 0.238431 -0.339211 -1.254251
H -0.677664 1.159134 -1.642252
H -2.025428 1.526452 0.978281
H -2.779652 1.592511 -0.644268
H -1.573093 -1.757978 -1.702746
H -3.208771 -1.416346 -1.047223
H -2.469866 -0.290516 -2.244358
H -1.212244 -0.588667 1.829957
H -2.064790 -1.901563 0.955907
H -0.295765 -1.592552 0.660309
H 0.276596 2.308335 0.256499
H 0.387039 0.802780 1.217029
H -4.470715 1.329016 1.197236
H -4.559419 -0.059573 0.101013
H -3.760946 -0.214760 1.702636
H 2.480960 1.927651 -0.427904
H 4.601987 -0.515236 0.586986
H 4.240882 -0.953695 -1.091141
H 4.474075 0.771978 -0.655297


