%chk=000049122.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049122

0 1
 O    1.518600      0.2124000      0.7445000    
 O    2.172300     -0.1048000      -1.452500    
 N   -2.365300     -0.4642000      0.8933000    
 N    3.033100      -1.505700      0.1926000    
 C   -1.192300     -0.3547000     -1.2100000E-02
 C   -1.557500     -0.7627000      -1.457800    
 C   -2.187200      -2.147900      -1.515700    
 C   -3.370100      -2.219300     -0.5631000    
 C   -2.955500      -1.814700      0.8491000    
 C  -0.5843000       1.044200     -5.0400000E-02
 C   -2.014800     -0.1500000       2.285100    
 C   0.7380000       1.249400      0.3302000    
 C   -1.372100       2.110900     -0.4714000    
 C    1.278200       2.534800      0.2892000    
 C  -0.8318000       3.396200     -0.5123000    
 C   0.4931000       3.608200     -0.1319000    
 C    2.244300     -0.4477000     -0.2728000    
 C    3.839100      -2.282100     -0.7386000    
 C    3.114200      -1.902100       1.594700    
 H  -0.4432000      -1.076400      0.3384000    
 H  -0.6607000     -0.7509000      -2.090300    
 H   -2.261300     -4.9400002E-02  -1.905700    
 H   -1.442200      -2.904700      -1.241400    
 H   -2.512700      -2.370700      -2.537800    
 H   -4.172100      -1.559600     -0.9175000    
 H   -3.774700      -3.237800     -0.5522000    
 H   -3.850000      -1.844900       1.483500    
 H   -2.251000      -2.557500       1.247200    
 H   -1.223600     -0.8046000       2.668500    
 H   -2.891500     -0.2552000       2.934800    
 H   -1.687800      0.8893000       2.391600    
 H   -2.409500       1.970600     -0.7617000    
 H    2.309500       2.707700      0.5848000    
 H   -1.443700       4.232400     -0.8378000    
 H   0.9135000       4.609200     -0.1630000    
 H    4.890500      -2.199400     -0.4482000    
 H    3.724900      -1.926800      -1.765700    
 H    3.525700      -3.328900     -0.6875000    
 H    4.153200      -1.810500       1.924200    
 H    2.793400      -2.944200       1.682300    
 H    2.483800      -1.283800       2.236500    


%chk=000049122-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049122

0 1
O 1.688853 0.232274 0.655038
O 1.923978 -0.480259 -1.587382
N -2.409508 -0.467976 0.821257
N 3.063593 -1.551665 0.167619
C -1.159997 -0.391095 -0.001533
C -1.456575 -0.795535 -1.474451
C -2.106126 -2.190966 -1.564586
C -3.376036 -2.230267 -0.689270
C -3.033390 -1.816902 0.753320
C -0.576848 1.019613 0.023674
C -2.177221 -0.087442 2.234047
C 0.790606 1.284517 0.269886
C -1.413547 2.133487 -0.247773
C 1.319910 2.590840 0.251812
C -0.905945 3.448814 -0.269123
C 0.468109 3.681586 -0.020275
C 2.213365 -0.608609 -0.370942
C 3.722528 -2.504715 -0.738388
C 3.372261 -1.669528 1.600818
H -0.397691 -1.105583 0.404479
H -0.509022 -0.751369 -2.039747
H -2.142651 -0.041841 -1.907906
H -1.389373 -2.961739 -1.211546
H -2.344971 -2.432765 -2.617680
H -4.131359 -1.530328 -1.096382
H -3.824659 -3.242555 -0.682503
H -3.950630 -1.794801 1.372297
H -2.353667 -2.593038 1.199763
H -1.452164 -0.764678 2.753378
H -3.135074 -0.124882 2.783689
H -1.786972 0.941594 2.293439
H -2.479378 1.940791 -0.413231
H 2.386097 2.735208 0.453193
H -1.575412 4.290673 -0.477811
H 0.871736 4.699745 -0.036692
H 4.823141 -2.408378 -0.667487
H 3.407649 -2.291903 -1.770747
H 3.442429 -3.544175 -0.479864
H 4.455933 -1.520422 1.774754
H 3.097178 -2.676979 1.969899
H 2.811349 -0.914646 2.166054


