%chk=000050909.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050909

1 1
 O   0.9028000      -1.170700     -0.9781000    
 O    4.127800       1.985600      0.2080000    
 O   -2.307100       1.833400      0.9066000    
 N    2.221100      0.7046000     -0.3732000    
 N   -4.712000     -0.8309000     -1.5000000E-03
 C    3.284500      -1.331300     -0.8817000    
 C    4.354600     -0.2747000     -0.5399000    
 C    3.516100      -2.423200      0.1871000    
 C    5.076100     -0.8972000      0.6785000    
 C    3.925700      -1.598200       1.413400    
 C    4.862000      -3.048300     -0.1095000    
 C    5.798400      -2.131400      0.1841000    
 C    1.967700     -0.6130000     -0.7461000    
 C    3.577900      0.9718000     -0.2036000    
 C    1.192900       1.680300     -0.1538000    
 C  -7.3200002E-02   1.278200      0.2745000    
 C    1.456700       3.034300     -0.3676000    
 C   -4.258400      0.5293000      0.3838000    
 C   -4.261700      -1.869200       1.035200    
 C   -6.242500     -0.8868000     -9.9900000E-02
 C   -4.130700      -1.233300      -1.363700    
 C   -1.072800       2.227200      0.4887000    
 C   -2.747000      0.5383000      0.5012000    
 C   0.4573000       3.983400     -0.1536000    
 C   -4.885000      -1.539400       2.373900    
 C   -6.663600      -2.274500     -0.5313000    
 C   -4.560100     -0.2244000      -2.406300    
 C  -0.8075000       3.579900      0.2747000    
 H    3.389300      -1.705000      -1.906600    
 H    5.025500     -7.2600000E-02  -1.382000    
 H    2.700000      -3.125100      0.3625000    
 H    5.668000     -0.2241000       1.299800    
 H    3.146400     -0.9179000       1.770800    
 H    4.260200      -2.212700       2.260000    
 H    5.031400      -4.025500     -0.5322000    
 H    6.862300      -2.233100      4.2399999E-02
 H  -0.2540000      0.2367000      0.5157000    
 H   -4.612900       1.272400     -0.3376000    
 H   -4.731900      0.8356000       1.322100    
 H    2.415000       3.385700     -0.7367000    
 H   -3.170700      -1.891500       1.085500    
 H   -4.532300      -2.872700      0.6985000    
 H   -6.585400     -0.1224000     -0.8025000    
 H   -6.678800     -0.6025000      0.8611000    
 H   -4.440300      -2.249300      -1.619500    
 H   -3.041700      -1.296400      -1.289000    
 H   -2.293900      0.3047000     -0.4644000    
 H   -2.376600     -0.1419000       1.269300    
 H   0.6606000       5.035900     -0.3285000    
 H   -4.494800      -2.257000       3.107200    
 H   -4.620600     -0.5576000       2.770400    
 H   -5.968600      -1.670900       2.406900    
 H   -6.395800      -3.081500      0.1515000    
 H   -6.385100      -2.538300      -1.553500    
 H   -7.762100      -2.285600     -0.5442000    
 H   -4.160000      0.7793000      -2.247500    
 H   -5.637500     -0.1687000      -2.570100    
 H   -4.142900     -0.5444000      -3.369900    
 H   -1.582800       4.323500      0.4377000    


%chk=000050909-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050909

1 1
O 1.071946 -1.141336 -0.871142
O 4.288468 2.152224 0.226827
O -2.422703 1.857034 0.282808
N 2.383010 0.781175 -0.281102
N -4.917218 -0.941733 -0.116360
C 3.535787 -1.268690 -0.839188
C 4.592590 -0.194469 -0.474801
C 3.784264 -2.408770 0.246879
C 5.336678 -0.823607 0.784419
C 4.144139 -1.539780 1.493754
C 5.166053 -2.986151 -0.092612
C 6.094043 -2.038358 0.229382
C 2.185935 -0.583355 -0.685467
C 3.801458 1.059605 -0.133649
C 1.328697 1.743215 -0.038201
C -0.020748 1.295969 0.016979
C 1.617210 3.121901 0.136817
C -4.262014 0.435018 0.090812
C -4.439763 -1.959795 0.958118
C -6.451867 -0.710450 -0.017465
C -4.533498 -1.545795 -1.497369
C -1.047597 2.231906 0.235869
C -2.727118 0.451419 0.039428
C 0.558429 4.028585 0.366224
C -4.673097 -1.546107 2.414239
C -7.327276 -1.952495 -0.206581
C -4.897648 -0.695654 -2.718164
C -0.783518 3.604652 0.418088
H 3.617803 -1.675870 -1.859472
H 5.311101 0.043234 -1.275003
H 2.951342 -3.120661 0.330920
H 5.917660 -0.090221 1.359949
H 3.338105 -0.858403 1.823294
H 4.476319 -2.152063 2.346424
H 5.335442 -3.949631 -0.579035
H 7.172652 -2.073252 0.059610
H -0.221833 0.237130 -0.140820
H -4.658323 1.110042 -0.683863
H -4.597366 0.815941 1.068332
H 2.645790 3.478548 0.109563
H -3.366198 -2.121892 0.764768
H -4.961319 -2.903622 0.728932
H -6.687970 0.054646 -0.775067
H -6.622140 -0.257891 0.973194
H -5.027954 -2.530006 -1.541169
H -3.445909 -1.724759 -1.457519
H -2.332754 0.136000 -0.947678
H -2.270226 -0.184874 0.824526
H 0.791951 5.089093 0.503171
H -4.295227 -2.360950 3.056789
H -4.122434 -0.634163 2.699102
H -5.739451 -1.413391 2.662344
H -7.155884 -2.727277 0.559266
H -7.227694 -2.407461 -1.206216
H -8.380091 -1.634323 -0.105878
H -4.378659 0.276993 -2.739429
H -5.982487 -0.526426 -2.821759
H -4.573239 -1.248726 -3.617316
H -1.605648 4.304979 0.588597


