%chk=000050632.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050632

0 1
 O    1.397500      -1.456200       1.664800    
 O   0.6349000       2.360000     -7.5000003E-02
 O   -3.165400      -1.630600      9.3300000E-02
 N    2.146900      -1.045900      -1.109900    
 C    1.369600     -0.1383000       1.099100    
 C    2.411100     -8.1699997E-02 -4.3400001E-02
 C  -2.2800000E-02  0.1338000      0.5202000    
 C    1.694300      0.8394000       2.241900    
 C  -0.2951000       1.365400     -2.7700000E-02
 C  -0.9516000     -0.8800000      0.5760000    
 C    2.226900      -2.412600     -0.5952000    
 C    3.089000     -0.8598000      -2.213000    
 C   -2.224300     -0.6482000      5.4000001E-02
 C   -1.567800       1.596900     -0.5498000    
 C   -2.532400      0.5901000     -0.5088000    
 C   0.2345000       3.593800     -0.6677000    
 C   -4.445400      -1.326200     -0.4588000    
 H    3.405600     -0.2777000      0.3844000    
 H    2.470400      0.9263000     -0.4671000    
 H    2.601900      0.5165000       2.766300    
 H   0.8929000      0.8516000       2.990500    
 H    1.862800       1.865800       1.907700    
 H  -0.7536000      -1.856500       1.004200    
 H   0.9820000      -1.425700       2.543700    
 H    1.286900      -2.743500     -0.1472000    
 H    3.068900      -2.574700      8.7700002E-02
 H    2.366400      -3.118600      -1.425200    
 H    2.855800      -1.539800      -3.040100    
 H    4.126500      -1.032600      -1.904500    
 H    3.013600      0.1556000      -2.618300    
 H   -1.878000       2.532800      -1.001700    
 H   -3.500400      0.8363000     -0.9318000    
 H  -0.5725000       4.071000     -0.1014000    
 H  -1.3800000E-02   3.470900      -1.727400    
 H    1.096500       4.267600     -0.6203000    
 H   -4.939500     -0.5187000      9.2200004E-02
 H   -5.067900      -2.219500     -0.3430000    
 H   -4.381600      -1.118000      -1.532200    


%chk=000050632-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050632

0 1
O 1.313968 -1.500682 1.916256
O 0.768295 2.288039 -0.159180
O -3.252224 -1.649712 0.209537
N 2.201197 -1.024242 -0.989312
C 1.332589 -0.165203 1.260892
C 2.487703 -0.229842 0.217500
C -0.029549 0.128869 0.599012
C 1.673906 0.881498 2.351478
C -0.297277 1.356058 -0.085924
C -1.057180 -0.828423 0.650247
C 2.343513 -2.482605 -0.809838
C 2.904415 -0.535077 -2.187727
C -2.328984 -0.593892 0.071822
C -1.560839 1.594882 -0.663452
C -2.589416 0.625136 -0.586467
C 0.529985 3.531132 -0.889755
C -4.562744 -1.470748 -0.412289
H 3.389148 -0.596641 0.769686
H 2.678605 0.809792 -0.097075
H 2.658003 0.643898 2.794479
H 0.912886 0.861247 3.155463
H 1.697482 1.898882 1.930529
H -0.866815 -1.799646 1.114116
H 0.742547 -1.440613 2.725092
H 1.774701 -2.799808 0.076465
H 3.409583 -2.800041 -0.670014
H 1.945107 -3.004122 -1.699769
H 2.551479 -1.093493 -3.074556
H 4.018856 -0.651699 -2.138243
H 2.677955 0.534843 -2.345644
H -1.766603 2.534699 -1.183978
H -3.560702 0.837144 -1.042697
H -0.274264 4.131151 -0.419694
H 0.270999 3.333718 -1.948584
H 1.480265 4.083772 -0.837707
H -5.107961 -0.612555 0.029383
H -5.111451 -2.401716 -0.206104
H -4.474378 -1.325000 -1.507445


