%chk=000045586.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045586

0 1
 N    2.709200     -0.3872000     -0.4484000    
 N   -2.905100      -1.862100      0.3343000    
 C   0.3198000     -0.7886000      -1.000200    
 C    5.096100      9.4499998E-02  6.7599997E-02
 C    3.682400     -0.1714000      0.6125000    
 C    1.370800     -0.5689000      0.1033000    
 C   -1.049200     -0.9463000     -0.4685000    
 C   -1.993800      9.2399999E-02 -0.2375000    
 C   -3.149300     -0.5089000      0.2661000    
 C   -1.638400      -2.136100     -0.1074000    
 C    5.071600       1.312000     -0.8606000    
 C    6.122600      0.3174000       1.181400    
 C   -1.976800       1.490900     -0.4090000    
 C   -4.293100      0.2212000      0.6081000    
 C   -3.113600       2.234100     -7.1099997E-02
 C   -4.253000       1.607000      0.4294000    
 H    5.419900     -0.7764000     -0.5172000    
 H   0.5894000      -1.679000      -1.583900    
 H   0.3493000      5.2400000E-02  -1.705000    
 H    3.718000      -1.050400       1.268500    
 H    3.376600      0.6824000       1.231100    
 H    1.359000      -1.427900      0.7867000    
 H    1.088700      0.3158000      0.6884000    
 H    2.971800      -1.203600     -0.9994000    
 H   -1.271800      -3.153000     -0.1241000    
 H    4.698200       2.201800     -0.3417000    
 H    6.079400       1.536900      -1.226800    
 H    4.442900       1.139900      -1.740100    
 H    5.864100       1.190700       1.789800    
 H    7.123000      0.4758000      0.7651000    
 H    6.167900     -0.5543000       1.842400    
 H   -3.565700      -2.552600      0.6632000    
 H   -1.096700       1.996000     -0.7965000    
 H   -5.180500     -0.2662000      0.9978000    
 H   -3.106000       3.313100     -0.2008000    
 H   -5.124900       2.203700      0.6854000    


%chk=000045586-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045586

0 1
N 2.697886 -0.467707 -0.330731
N -3.126191 -1.926267 0.126441
C 0.353173 -1.019902 -0.963883
C 5.087610 0.197751 0.039108
C 3.697362 -0.049224 0.676192
C 1.319602 -0.618812 0.180700
C -1.086159 -1.106277 -0.520561
C -1.966306 0.011829 -0.213116
C -3.238161 -0.532578 0.189724
C -1.831511 -2.264782 -0.302625
C 5.046379 1.384013 -0.950822
C 6.152789 0.416246 1.138134
C -1.806242 1.423280 -0.252043
C -4.331824 0.284722 0.552617
C -2.892880 2.244018 0.107074
C -4.141753 1.680968 0.507233
H 5.363220 -0.718605 -0.529207
H 0.677798 -1.995522 -1.379268
H 0.469561 -0.276055 -1.775883
H 3.806281 -0.790833 1.509550
H 3.340644 0.894222 1.138309
H 1.232624 -1.369895 1.005887
H 1.001679 0.352541 0.606009
H 3.007483 -1.318967 -0.823785
H -1.536159 -3.305865 -0.423921
H 4.870305 2.332941 -0.407156
H 6.000695 1.481204 -1.501660
H 4.225684 1.250514 -1.676791
H 5.898669 1.298463 1.757342
H 7.148965 0.594919 0.693247
H 6.229741 -0.459354 1.810250
H -3.867842 -2.588378 0.341097
H -0.854069 1.868246 -0.563227
H -5.294307 -0.142021 0.857222
H -2.783824 3.334019 0.079535
H -4.968121 2.346248 0.781909


