%chk=000098045.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098045

0 1
 O   -3.107600       1.896000     -0.4372000    
 N   -2.071000      0.4723000       1.021000    
 C  -0.3901000      -1.217200      0.2304000    
 C   -1.211700      -1.200300      -1.082700    
 C   -1.381900     -0.7692000       1.327300    
 C   -1.739600      0.1929000      -1.405700    
 C   0.8897000     -0.3682000      0.1126000    
 C   2.7300000E-02  -2.670700      0.5507000    
 C   -2.388700      0.9140000     -0.2424000    
 C    1.843300     -0.6868000     -0.8492000    
 C    1.083400      0.7110000      0.9688000    
 C    3.002400      8.1600003E-02 -0.9557000    
 C    2.242500       1.479700      0.8623000    
 C    3.202000       1.164900     -0.1000000    
 H   -2.066500      -1.884500     -0.9874000    
 H  -0.6252000      -1.568900      -1.932600    
 H   -2.177500      -1.516100       1.448100    
 H  -0.9089000     -0.6673000       2.310400    
 H   -2.477800      0.1175000      -2.212400    
 H  -0.9253000      0.8309000      -1.768400    
 H   0.6185000      -2.717200       1.473100    
 H  -0.8494000      -3.314600      0.6876000    
 H   0.6254000      -3.119500     -0.2499000    
 H   -2.478700      0.9769000       1.802000    
 H    1.710000      -1.521700      -1.530400    
 H   0.3799000      0.9982000       1.740500    
 H    3.749200     -0.1625000      -1.705600    
 H    2.399700       2.322300       1.529400    
 H    4.104600       1.763200     -0.1828000    


%chk=000098045-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000098045

0 1
O -3.152537 1.937209 -0.392772
N -2.127706 0.429364 1.032099
C -0.413770 -1.253754 0.241309
C -1.223633 -1.199873 -1.093457
C -1.385306 -0.802934 1.364214
C -1.702869 0.232957 -1.405735
C 0.852998 -0.370619 0.131320
C -0.001195 -2.719883 0.553044
C -2.397154 0.929329 -0.235010
C 1.845655 -0.699103 -0.833023
C 1.079950 0.764511 0.950536
C 3.024069 0.065640 -0.964411
C 2.260888 1.533001 0.825275
C 3.240756 1.187195 -0.130257
H -2.094772 -1.879414 -1.000273
H -0.608940 -1.580988 -1.929899
H -2.100785 -1.633047 1.546201
H -0.831209 -0.646315 2.309984
H -2.405089 0.251747 -2.256953
H -0.841981 0.867974 -1.692096
H 0.514377 -2.787419 1.528849
H -0.889548 -3.378782 0.581198
H 0.686696 -3.114762 -0.213835
H -2.615320 0.916971 1.789758
H 1.701085 -1.563568 -1.492303
H 0.327559 1.074287 1.681723
H 3.772343 -0.212581 -1.715303
H 2.408535 2.406585 1.470365
H 4.154901 1.782972 -0.228747


