%chk=000046407.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046407

0 1
 O   0.1851000       2.643400      0.2205000    
 N   -2.499600       1.818500      3.8300000E-02
 C   -1.428800      0.8462000     -0.2186000    
 C  -0.1459000       1.290300      0.5293000    
 C   -1.910600     -0.5658000      0.1764000    
 C   -3.199400     -0.9830000     -0.5425000    
 C    1.035400      0.3802000      0.2465000    
 C   -3.623400      -2.389600     -0.1476000    
 C    1.249000     -0.7150000       1.061800    
 C    1.866300      0.6703000     -0.8190000    
 C    2.334500      -1.551600      0.8019000    
 C    2.951700     -0.1664000      -1.078800    
 C    3.185700      -1.277400     -0.2682000    
 H   -1.230200      0.8700000      -1.297800    
 H  -0.3351000       1.277200       1.611500    
 H   -2.065100     -0.6191000       1.261900    
 H   -1.141700      -1.303400     -7.7100001E-02
 H   -3.052000     -0.9392000      -1.627700    
 H   -4.024900     -0.3083000     -0.2940000    
 H   -2.840500       1.715700      0.9931000    
 H   -3.292300       1.646900     -0.5765000    
 H   -4.544000      -2.668900     -0.6698000    
 H   -3.809900      -2.455600      0.9291000    
 H   -2.850800      -3.120000     -0.4082000    
 H   0.5956000     -0.9353000       1.900800    
 H    1.693700       1.523500      -1.467900    
 H  -0.6035000       3.183600      0.3989000    
 H    2.517200      -2.416100       1.433500    
 H    3.613300      4.5299999E-02  -1.913700    
 H    4.030600      -1.929000     -0.4709000    


%chk=000046407-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046407

0 1
O 0.096683 2.592283 0.482857
N -2.366328 1.945075 -0.076154
C -1.433697 0.780359 -0.130478
C -0.160312 1.177128 0.718536
C -2.059318 -0.555379 0.328125
C -3.181219 -1.073262 -0.599571
C 1.063120 0.354711 0.341507
C -3.794606 -2.401602 -0.106199
C 1.423783 -0.797540 1.082016
C 1.846278 0.722085 -0.781672
C 2.533996 -1.584237 0.697400
C 2.957004 -0.059948 -1.166578
C 3.302023 -1.220070 -0.432223
H -1.103516 0.690056 -1.184247
H -0.402793 1.003025 1.793676
H -2.457326 -0.431426 1.359238
H -1.259657 -1.319275 0.392593
H -2.770606 -1.210999 -1.620763
H -3.979449 -0.307374 -0.682891
H -2.989535 1.932817 0.741045
H -2.888810 2.113382 -0.940653
H -4.590531 -2.756929 -0.785986
H -4.237476 -2.284690 0.901069
H -3.025161 -3.193803 -0.043370
H 0.845147 -1.072987 1.973308
H 1.592473 1.643716 -1.315847
H -0.831882 2.939648 0.259443
H 2.804734 -2.470888 1.282257
H 3.560601 0.238012 -2.031918
H 4.166779 -1.824485 -0.729322


