%chk=000048824.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048824

0 1
 O   -4.810600       1.946800      -1.423600    
 N    1.414700     -0.2563000      0.5356000    
 C  -0.8811000     -0.6882000     -7.7399999E-02
 C    1.153200      -1.695900      0.6020000    
 C   0.2197000      0.4310000     -2.4000001E-03
 C  -0.3295000      -1.690000      0.9572000    
 C  -0.8328000      -1.424800      -1.460000    
 C    1.363600      -2.475500     -0.7058000    
 C    2.687100      0.1508000     -5.7500001E-02
 C   0.5574000      -1.911800      -1.873600    
 C   -2.315400     -0.2203000      0.1502000    
 C  -7.9499997E-02   1.581400      0.9678000    
 C    2.800300       1.679200     -4.9199998E-02
 C    3.848300     -0.4937000      0.7075000    
 C    4.151900       2.140100     -0.5920000    
 C    5.198400     -3.0500000E-02  0.1630000    
 C    5.311200       1.491500      0.1591000    
 C   -2.915300      0.6610000     -0.7513000    
 C   -3.031400     -0.6726000       1.260000    
 C   -4.226900       1.088300     -0.5436000    
 C   -4.342700     -0.2453000       1.467800    
 C   -4.940600      0.6350000      0.5660000    
 H    1.721300      -2.168300       1.410800    
 H   0.3694000      0.8364000      -1.010600    
 H  -0.7876000      -2.683500      0.8859000    
 H  -0.4534000      -1.335900       1.989500    
 H   -1.207600     -0.7862000      -2.268700    
 H   -1.508400      -2.291400      -1.425400    
 H    1.050200      -3.514800     -0.5400000    
 H    2.422500      -2.522800     -0.9815000    
 H    2.744100     -0.1697000      -1.104400    
 H    1.103400      -1.076900      -2.327100    
 H   0.4677000      -2.667200      -2.663100    
 H  -0.9814000       2.118600      0.6572000    
 H  -0.2604000       1.208900       1.983300    
 H   0.6896000       2.347400       1.039700    
 H    2.040000       2.161800     -0.6705000    
 H    2.720900       2.059200      0.9768000    
 H    3.786800     -0.2360000       1.773300    
 H    3.821700      -1.586600      0.6441000    
 H    4.228800       3.230700     -0.5143000    
 H    4.222400       1.890000      -1.657900    
 H    5.329700     -0.4093000     -0.8581000    
 H    6.006000     -0.4573000      0.7684000    
 H    6.260600       1.789500     -0.2997000    
 H    5.326800       1.858300       1.192900    
 H   -2.367600       1.037600      -1.611300    
 H   -2.616000      -1.365200       1.983600    
 H   -4.899800     -0.5997000       2.330200    
 H   -5.963100      0.9596000      0.7388000    
 H   -5.716900       2.135700      -1.125400    


%chk=000048824-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048824

0 1
O -4.789957 2.032208 -1.431642
N 1.424660 -0.215456 0.504259
C -0.907989 -0.697059 -0.039915
C 1.158323 -1.682986 0.643975
C 0.164019 0.470522 0.033041
C -0.335711 -1.678642 1.020320
C -0.842825 -1.425872 -1.429439
C 1.365958 -2.504659 -0.664534
C 2.728753 0.193635 -0.079268
C 0.587921 -1.855882 -1.835346
C -2.355091 -0.251894 0.197409
C -0.234859 1.610992 0.997985
C 2.926304 1.732249 -0.056492
C 3.901205 -0.473248 0.689904
C 4.290348 2.139852 -0.661787
C 5.276521 -0.074234 0.104337
C 5.462772 1.460402 0.082227
C -2.949342 0.688213 -0.682059
C -3.146745 -0.783887 1.249079
C -4.289924 1.088096 -0.511343
C -4.491435 -0.382052 1.413412
C -5.078206 0.556576 0.538131
H 1.778420 -2.105310 1.456036
H 0.306487 0.894283 -0.988442
H -0.792467 -2.683054 0.964224
H -0.463988 -1.284931 2.045284
H -1.267322 -0.773294 -2.215914
H -1.503753 -2.314143 -1.368941
H 1.017170 -3.542525 -0.487338
H 2.441285 -2.571534 -0.920900
H 2.814198 -0.122552 -1.154967
H 1.145492 -0.966350 -2.186226
H 0.535765 -2.548688 -2.697346
H -1.095286 2.187595 0.614340
H -0.507506 1.200558 1.986827
H 0.610879 2.301219 1.145619
H 2.111777 2.235731 -0.610186
H 2.869300 2.075977 0.996314
H 3.834581 -0.158633 1.751364
H 3.801954 -1.574538 0.671035
H 4.398318 3.241393 -0.628025
H 4.320624 1.848773 -1.732848
H 5.362780 -0.465254 -0.931248
H 6.084556 -0.551725 0.692171
H 6.427501 1.724858 -0.393019
H 5.501292 1.839094 1.124544
H -2.381220 1.130897 -1.507201
H -2.719166 -1.515464 1.940615
H -5.089732 -0.802819 2.229484
H -6.123275 0.866762 0.668920
H -5.733665 2.249902 -1.230133


