%chk=000039549.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039549

0 1
 O   0.6720000     -7.9899997E-02  -1.544000    
 N   -3.968300      0.2620000     -0.2110000    
 C    2.825500      0.4164000     -0.4609000    
 C    3.175700      -1.066600     -7.6600000E-02
 C    2.414500     -0.9367000       1.266500    
 C    1.255500      0.4546000     -0.3538000    
 C   0.9888000     -0.4927000      0.8438000    
 C    3.413000       1.198800      0.7491000    
 C    3.079400      0.2858000       1.940500    
 C    3.382800      0.9020000      -1.789800    
 C    4.668400      -1.419200      8.1900001E-02
 C    2.604600      -2.148100      -1.022300    
 C   0.6205000       1.832500     -0.1583000    
 C  -0.8316000       1.721800     -7.7999998E-03
 C   -2.023600       1.640300      0.1168000    
 C   -3.478100       1.544600      0.2715000    
 C   -5.418200      0.1304000     -7.2200000E-02
 C   -3.411500     -0.8654000      0.5361000    
 C   -5.643600      -1.363000     -0.2563000    
 C   -4.325900      -2.017700      0.1469000    
 H    2.413000      -1.828600       1.897600    
 H   0.3759000      -1.353700      0.5566000    
 H   0.4860000     -1.6000000E-03   1.684400    
 H    3.023000       2.210900      0.8715000    
 H    4.499300       1.316200      0.6580000    
 H    3.990200      1.1000000E-03   2.477800    
 H    2.416100      0.7805000       2.657700    
 H    3.037200      0.2926000      -2.630000    
 H    3.086800       1.938500      -1.982400    
 H    4.477500      0.8686000      -1.793800    
 H    4.784100      -2.413400      0.5291000    
 H    5.167400      -1.431000     -0.8939000    
 H    5.230400     -0.7284000      0.7137000    
 H    2.907000      -3.145700     -0.6797000    
 H    1.517600      -2.192300      -1.085400    
 H    2.993700      -2.022700      -2.038400    
 H   0.8409000       2.478400      -1.016300    
 H   0.9985000       2.337500      0.7348000    
 H   0.8144000      0.5530000      -2.267800    
 H   -3.747200       1.707400       1.323000    
 H   -3.944600       2.352100     -0.3059000    
 H   -5.960000      0.7151000     -0.8223000    
 H   -5.761600      0.4361000      0.9246000    
 H   -3.464600     -0.7039000       1.620700    
 H   -2.374400      -1.088400      0.2656000    
 H   -5.868300      -1.596700      -1.303700    
 H   -6.478400      -1.721700      0.3543000    
 H   -4.459700      -2.721000      0.9751000    
 H   -3.913100      -2.573600     -0.7032000    


%chk=000039549-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039549

0 1
O 0.677565 0.077066 -1.554505
N -3.923619 0.176635 -0.228197
C 2.865871 0.461847 -0.462978
C 3.256098 -1.064515 -0.200888
C 2.533881 -1.097380 1.193672
C 1.295348 0.449863 -0.263865
C 1.085120 -0.660651 0.833655
C 3.481165 1.126803 0.815008
C 3.197446 0.089910 1.960252
C 3.327193 1.088152 -1.781183
C 4.784146 -1.320173 -0.115528
C 2.702253 -2.082771 -1.229251
C 0.688295 1.832910 0.156749
C -0.785149 1.803138 0.110299
C -2.013414 1.699092 0.031223
C -3.481705 1.580028 -0.059370
C -5.384961 0.036078 -0.466750
C -3.633859 -0.719669 0.921388
C -5.645887 -1.484209 -0.280395
C -4.433408 -1.997957 0.571688
H 2.586791 -2.063054 1.725792
H 0.508165 -1.497117 0.402385
H 0.532342 -0.286071 1.714699
H 3.066382 2.127826 1.021070
H 4.565286 1.270947 0.660883
H 4.128120 -0.218534 2.468600
H 2.521318 0.492132 2.737519
H 2.850300 0.588987 -2.640508
H 3.063931 2.162171 -1.833510
H 4.426108 1.014217 -1.885949
H 4.968248 -2.390720 0.095602
H 5.268024 -1.091093 -1.083786
H 5.300058 -0.737384 0.664990
H 2.850584 -3.113872 -0.853006
H 1.639055 -1.927304 -1.458987
H 3.255498 -1.996327 -2.183909
H 1.063283 2.614794 -0.532910
H 1.016713 2.100351 1.177248
H -0.302414 0.234011 -1.471906
H -3.941230 2.052473 0.850378
H -3.841984 2.158630 -0.932712
H -5.650384 0.403301 -1.474355
H -5.980981 0.621669 0.281208
H -4.000514 -0.278852 1.885321
H -2.548066 -0.890430 1.018207
H -5.676344 -1.999120 -1.255289
H -6.612741 -1.661025 0.222202
H -4.752341 -2.538562 1.479635
H -3.808586 -2.681041 -0.028133


