%chk=000047516.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047516

0 1
 N   0.6435000     -0.2285000      0.7216000    
 C   -1.604700      0.1390000       1.119000    
 C   -1.510500      -1.276000      0.5412000    
 C  -0.3720000      0.8098000      0.5255000    
 C   4.9999999E-03  -1.531000      0.4790000    
 C   -2.924300      0.8650000      0.8691000    
 C   -2.138800      -1.407700     -0.8548000    
 C   -3.468400      0.7020000     -0.5536000    
 C    1.835900     -1.4200000E-02 -9.6000001E-02
 C   -3.524500     -0.7804000     -0.9324000    
 C    2.440200       1.359700      0.2143000    
 C    2.850300      -1.134500      0.1586000    
 C    3.733500       1.588200     -0.5664000    
 C    4.142700     -0.9030000     -0.6227000    
 C   -4.850100       1.343000     -0.6774000    
 C    4.742000      0.4686000     -0.3251000    
 H   -1.464800      8.1500001E-02   2.209500    
 H   -1.998800      -1.986900       1.218900    
 H  -0.5165000       1.055600     -0.5333000    
 H  -0.1394000       1.725900       1.077900    
 H   0.3024000      -2.227100       1.271400    
 H   0.2738000      -1.980800     -0.4842000    
 H   -3.666100      0.4682000       1.575500    
 H   -2.811700       1.929900       1.107500    
 H   -2.200900      -2.468800      -1.125100    
 H   -1.499000     -0.9353000      -1.611600    
 H   -2.798100       1.219700      -1.251600    
 H    1.562200     -3.5399999E-02  -1.161000    
 H   -3.912800     -0.8920000      -1.951700    
 H   -4.211500      -1.319000     -0.2676000    
 H    2.649100       1.450000       1.288600    
 H    1.753100       2.171300     -5.0099999E-02
 H    2.460200      -2.116000     -0.1319000    
 H    3.087500      -1.192000       1.229600    
 H    4.174100       2.548900     -0.2768000    
 H    3.507000       1.650500      -1.638000    
 H    3.940000     -0.9879000      -1.697400    
 H    4.869700      -1.683800     -0.3720000    
 H   -4.807900       2.407600     -0.4241000    
 H   -5.227000       1.257200      -1.702000    
 H   -5.574100      0.8639000     -9.6000005E-03
 H    5.627000      0.6281000     -0.9513000    
 H    5.078700      0.5004000      0.7185000    


%chk=000047516-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047516

0 1
N 0.647239 -0.234443 0.659556
C -1.648875 0.123842 1.129187
C -1.547913 -1.303206 0.506779
C -0.397129 0.818873 0.547183
C -0.014976 -1.570059 0.471331
C -3.005087 0.831712 0.909591
C -2.161706 -1.363464 -0.917443
C -3.567823 0.727407 -0.531401
C 1.891730 -0.035493 -0.121315
C -3.579787 -0.756600 -0.978256
C 2.494329 1.370868 0.121989
C 2.940188 -1.118870 0.241279
C 3.816950 1.570773 -0.656652
C 4.259689 -0.931252 -0.543531
C -4.969232 1.367447 -0.623469
C 4.854518 0.477104 -0.312643
H -1.475287 0.031375 2.220420
H -2.070017 -2.041065 1.146584
H -0.576263 1.146573 -0.508971
H -0.116617 1.714602 1.130187
H 0.306311 -2.271940 1.265189
H 0.264768 -2.028539 -0.506690
H -3.751658 0.378348 1.596242
H -2.920781 1.897958 1.204700
H -2.172708 -2.415921 -1.263980
H -1.506815 -0.810649 -1.622080
H -2.887823 1.278143 -1.217273
H 1.677785 -0.126184 -1.225413
H -3.987345 -0.839722 -2.005470
H -4.264494 -1.327209 -0.314275
H 2.674652 1.485212 1.210568
H 1.771388 2.154702 -0.173494
H 2.530723 -2.127918 0.045972
H 3.133545 -1.053358 1.331389
H 4.229209 2.575176 -0.438392
H 3.607876 1.542244 -1.746595
H 4.066521 -1.072085 -1.627783
H 4.987388 -1.711157 -0.246095
H -4.948877 2.429407 -0.313290
H -5.365609 1.322470 -1.655414
H -5.684955 0.838554 0.035948
H 5.771710 0.613419 -0.918169
H 5.151257 0.576627 0.752001


