%chk=000049459.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049459

0 1
 O  -0.4648000     -0.5598000     -0.5856000    
 O    2.608400       3.029900     -3.8699999E-02
 O   -3.554000       1.729600      0.7354000    
 N    2.108800     -0.9940000     -0.1938000    
 C    3.153300      -1.858100     -0.7614000    
 C    2.237600     -0.8940000       1.266800    
 C    3.085700      -3.266800     -0.1694000    
 C    2.140000      -2.271200       1.925100    
 C    3.173800      -3.233900       1.352200    
 C    2.156900      0.3346000     -0.8037000    
 C    1.057100       1.222200     -0.3141000    
 C  -0.2490000      0.7400000     -0.2179000    
 C    1.340000       2.539300      4.7899999E-02
 C   -1.265200       1.570900      0.2388000    
 C   -2.827000     -0.3819000     -9.1899998E-02
 C   -1.750100      -1.077900     -0.5103000    
 C   -2.630300       1.035500      0.3294000    
 C   0.3192000       3.372500      0.5057000    
 C  -0.9870000       2.891300      0.6030000    
 C   -4.238500     -0.8873000     -2.6400000E-02
 C   -1.786400      -2.519400     -0.9301000    
 C   -4.551200      -1.499400       1.324500    
 C   -2.061500      -2.661800      -2.413500    
 C    2.984200       3.639600      -1.271800    
 H    4.151000      -1.434200     -0.5863000    
 H    3.019200      -1.938300      -1.847000    
 H    1.447500     -0.2821000       1.714100    
 H    3.194600     -0.4287000       1.539800    
 H    3.900200      -3.878100     -0.5739000    
 H    2.145500      -3.746400     -0.4705000    
 H    1.133400      -2.680800       1.771500    
 H    2.285200      -2.176200       3.007100    
 H    4.178700      -2.914200       1.653900    
 H    3.018800      -4.238800       1.760000    
 H    3.145600      0.7754000     -0.6281000    
 H    2.042700      0.2489000      -1.892700    
 H   0.5343000       4.399100      0.7900000    
 H   -1.768300       3.555200      0.9620000    
 H   -4.952000     -8.4100001E-02 -0.2452000    
 H   -4.414000      -1.638800     -0.8043000    
 H   -2.543500      -3.074100     -0.3652000    
 H  -0.8298000      -2.998800     -0.6869000    
 H   -5.580700      -1.871600       1.340300    
 H   -4.450400     -0.7627000       2.128700    
 H   -3.888300      -2.340600       1.551800    
 H   -2.075700      -3.719900      -2.694400    
 H   -1.285500      -2.168400      -3.008800    
 H   -3.027500      -2.228600      -2.692000    
 H    2.860400       2.943600      -2.107500    
 H    2.390100       4.542200      -1.445900    
 H    4.038400       3.922500      -1.206400    


%chk=000049459-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049459

0 1
O -0.841422 -0.750480 -0.880242
O 2.638588 2.491426 -0.406296
O -3.763123 1.838048 0.580296
N 2.263078 -1.168936 -0.097621
C 2.958649 -2.330787 -0.704009
C 3.040366 -0.594947 1.029170
C 3.191361 -3.441492 0.340690
C 3.269663 -1.649670 2.130075
C 3.979569 -2.896475 1.554773
C 1.903464 -0.152062 -1.128902
C 0.902350 0.868395 -0.615141
C -0.469510 0.543228 -0.482856
C 1.277472 2.189609 -0.252898
C -1.445899 1.449865 0.007770
C -3.181146 -0.337837 -0.294621
C -2.182142 -1.165156 -0.766465
C -2.864519 1.043317 0.132713
C 0.323931 3.130135 0.237635
C -1.017954 2.751376 0.368525
C -4.623156 -0.789568 -0.154600
C -2.314668 -2.585172 -1.258192
C -4.938389 -1.307282 1.274224
C -2.350141 -2.674556 -2.808486
C 3.091809 3.842292 -0.061577
H 3.949090 -2.030978 -1.143697
H 2.333890 -2.714641 -1.533078
H 2.480164 0.264993 1.436847
H 4.032427 -0.205120 0.675453
H 3.732869 -4.283958 -0.132007
H 2.207670 -3.820253 0.679794
H 2.288669 -1.942803 2.551448
H 3.867300 -1.202913 2.948305
H 5.004679 -2.618368 1.231450
H 4.086716 -3.678311 2.330647
H 2.803056 0.383109 -1.512080
H 1.446355 -0.700894 -1.972788
H 0.630414 4.141772 0.516256
H -1.775708 3.444697 0.747456
H -5.264094 0.088976 -0.352147
H -4.874777 -1.562273 -0.903400
H -3.226068 -3.037861 -0.833690
H -1.450404 -3.161862 -0.879200
H -6.002335 -1.594850 1.359639
H -4.737160 -0.516102 2.016785
H -4.320683 -2.188217 1.530520
H -2.414112 -3.728892 -3.131624
H -1.436973 -2.233816 -3.244878
H -3.222435 -2.133904 -3.217241
H 2.592737 4.606453 -0.687520
H 2.918679 4.064444 1.008733
H 4.171704 3.839701 -0.269648


