%chk=000127447.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127447

0 1
 O   -1.722000      -1.014400      0.6652000    
 O   -3.882900       1.542000     -0.6351000    
 O   -3.414700      -2.859300     -0.6307000    
 N   0.1993000      0.3409000      0.6329000    
 N    1.585400       1.734700     -0.3968000    
 N    1.564400      -1.654200      0.8044000    
 N    3.759300      -1.266200     -0.1931000    
 N    4.380500      0.8256000      -1.174600    
 C   -1.880800       1.390700      0.7193000    
 C   -1.112400      0.1497000       1.217900    
 C   -2.676700      0.8267000     -0.4511000    
 C  -0.8095000       2.437200      0.3007000    
 C   -2.924400     -0.6062000     -4.9999999E-03
 C   0.3906000       1.591600      0.1224000    
 C    1.316800     -0.3846000      0.4538000    
 C   -3.210800      -1.556600      -1.153600    
 C    2.179700      0.4991000     -0.1958000    
 C    3.442200      1.0500000E-02 -0.5187000    
 C    2.815900      -2.007100      0.4381000    
 H   -2.552500       1.801000       1.482300    
 H   -1.009000      8.5800000E-02   2.305000    
 H   -2.096800      0.8619000      -1.381400    
 H  -0.6395000       3.153600       1.111000    
 H   -1.085300       2.979100     -0.6077000    
 H   -3.742300     -0.6608000      0.7253000    
 H   -2.369400      -1.607300      -1.852500    
 H   -4.109200      -1.261100      -1.702900    
 H   -4.382200       1.099300      -1.342000    
 H   -2.611700      -3.107600     -0.1413000    
 H    3.107200      -3.023200      0.6819000    
 H    5.291000      0.4480000      -1.399200    
 H    4.146900       1.778400      -1.419300    


%chk=000127447-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127447

0 1
O -2.135263 -0.843807 1.106131
O -4.379704 1.414563 0.207883
O -1.718540 -2.561459 -1.091892
N -0.018480 0.347511 0.715856
N 1.422702 1.546208 -0.610755
N 1.309282 -1.748785 1.004296
N 3.466939 -1.607790 -0.173962
N 4.141059 0.289012 -1.412191
C -2.039830 1.573676 0.785375
C -1.324408 0.318592 1.407951
C -3.051543 0.964179 -0.234494
C -0.928200 2.480498 0.161951
C -2.869790 -0.577282 -0.165300
C 0.230388 1.533401 0.004028
C 1.090683 -0.482758 0.547439
C -2.077210 -1.173211 -1.350326
C 1.971981 0.283416 -0.278775
C 3.206021 -0.336523 -0.631546
C 2.523548 -2.230425 0.596120
H -2.637019 2.106219 1.541223
H -1.191079 0.319058 2.500918
H -2.854140 1.330258 -1.264444
H -0.662462 3.307945 0.845384
H -1.233991 2.936765 -0.794065
H -3.829355 -1.110912 -0.049824
H -1.177765 -0.559301 -1.571937
H -2.713313 -1.193690 -2.253161
H -5.077099 1.037925 -0.386405
H -1.237829 -2.597667 -0.221538
H 2.772939 -3.243719 0.924658
H 5.003146 -0.203008 -1.637372
H 3.965433 1.228311 -1.761828


