%chk=000048935.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048935

0 1
 O   0.8021000      -1.472900      0.2897000    
 O    1.669500      -1.965200      -1.785000    
 N   -2.476500     -0.3144000      0.4172000    
 C   -2.913100       1.083500      0.6384000    
 C   -3.692400       1.601200     -0.5875000    
 C   -3.626400      -1.194000      0.1421000    
 C   -4.873400      0.7031000     -0.9317000    
 C   -4.409500     -0.7368000      -1.086400    
 C   -1.737600       2.037300      0.8949000    
 C   -1.720200     -0.8530000       1.551400    
 C  -0.8290000       2.121800     -0.3230000    
 C   -1.244500      -2.269600       1.245800    
 C   0.3481000       3.047400     -6.0300000E-02
 C  -0.3241000      -2.300500      3.3100002E-02
 C    1.726600      -1.393800     -0.7073000    
 C    2.848700     -0.5037000     -0.3159000    
 C    3.519500      0.1950000      -1.298800    
 C    3.185600     -0.4023000       1.018300    
 C    4.573500       1.031400     -0.9313000    
 C    4.239500      0.4343000       1.385700    
 C    4.933500       1.151200      0.4108000    
 H   -3.575800       1.120800       1.514400    
 H   -4.053300       2.620500     -0.4056000    
 H   -3.071800       1.631300      -1.488100    
 H   -4.296700      -1.245100       1.010300    
 H   -3.323900      -2.214800     -0.1023000    
 H   -5.626000      0.7653000     -0.1363000    
 H   -5.352500       1.045900      -1.855500    
 H   -3.780200     -0.8271000      -1.981100    
 H   -5.276900      -1.389200      -1.238500    
 H   -1.172800       1.766700       1.792500    
 H   -2.139300       3.038200       1.104600    
 H  -0.8354000     -0.2495000       1.771900    
 H   -2.332400     -0.8634000       2.462400    
 H   -1.342100       2.536700      -1.193800    
 H  -0.4435000       1.135200     -0.6007000    
 H   -2.048900      -3.004600       1.160300    
 H  -0.6595000      -2.595900       2.117300    
 H   8.3999997E-03   4.060500      0.1780000    
 H   0.9549000       2.682000      0.7746000    
 H   0.9914000       3.104000     -0.9443000    
 H   1.9700000E-02  -3.329900     -0.1234000    
 H  -0.8391000      -1.968000     -0.8750000    
 H    3.245800      0.1133000      -2.346500    
 H    2.669700     -0.9589000       1.794900    
 H    5.113200       1.590600      -1.690100    
 H    4.521900      0.5258000       2.430400    
 H    5.754300       1.802300      0.6970000    


%chk=000048935-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048935

0 1
O 0.918265 -1.373570 0.196429
O 1.741814 -1.758683 -1.949110
N -2.679560 -0.377421 0.395787
C -3.077766 1.053300 0.628353
C -3.900513 1.572540 -0.579996
C -3.882255 -1.228674 0.170414
C -5.143849 0.704448 -0.858424
C -4.709814 -0.763416 -1.041384
C -1.879877 1.999916 0.913706
C -1.823960 -0.936803 1.476661
C -0.756427 2.013495 -0.149808
C -1.150703 -2.278213 1.100670
C 0.389596 2.974899 0.232855
C -0.282563 -2.194597 -0.153690
C 1.871892 -1.233188 -0.814249
C 3.038105 -0.405765 -0.384046
C 4.070185 -0.173351 -1.330093
C 3.138885 0.142061 0.921080
C 5.192879 0.601680 -0.974740
C 4.264826 0.916359 1.272765
C 5.292390 1.148117 0.327424
H -3.751106 1.101141 1.530375
H -4.195994 2.620572 -0.378072
H -3.253209 1.575529 -1.477643
H -4.539652 -1.228853 1.082100
H -3.555507 -2.270622 0.007236
H -5.848967 0.776677 -0.004102
H -5.681284 1.071321 -1.753511
H -4.093725 -0.859069 -1.956488
H -5.589629 -1.425602 -1.157764
H -1.435434 1.775192 1.904076
H -2.299811 3.023011 1.007649
H -1.021217 -0.214382 1.693757
H -2.403739 -1.080257 2.425751
H -1.172373 2.311621 -1.131267
H -0.359527 0.990006 -0.279662
H -1.906654 -3.069983 0.938888
H -0.529419 -2.611087 1.954193
H 0.022011 4.013653 0.340483
H 0.849743 2.680386 1.195590
H 1.188622 2.973190 -0.530804
H 0.067085 -3.186196 -0.493010
H -0.816448 -1.692683 -0.979434
H 3.969620 -0.607878 -2.330208
H 2.338045 -0.045859 1.641796
H 5.987730 0.780308 -1.706980
H 4.343189 1.338870 2.280445
H 6.165199 1.750559 0.603599


