%chk=000127818.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127818

0 1
 O    1.228400      0.1664000       2.105900    
 O   -1.219000      -1.347200       1.689800    
 O   0.7509000       2.954100     -0.9975000    
 O   0.7082000      -2.395800      -2.182000    
 O   -3.998800      -1.344000      0.1644000    
 O    4.285300      0.6152000       2.024200    
 O   -5.878400      0.3190000     -0.1085000    
 O   -4.384700       2.060000     -6.9799997E-02
 N    1.120000      -1.655200     -1.5000000E-02
 N    3.238200      0.3798000     -5.2999999E-02
 C   0.2548000     -0.4884000     -4.1099999E-02
 C   0.9182000      0.6367000      0.7969000    
 C    2.148600       1.309800      0.1384000    
 C   -1.189200     -0.8848000      0.3408000    
 C    1.789100       1.998800      -1.197700    
 C   -2.176500      0.2834000      0.1889000    
 C    2.982500       2.692500      -1.848300    
 C    1.266400      -2.504000      -1.093300    
 C   -3.614300     -0.1854000      0.1103000    
 C    4.193500      0.1268000      0.9054000    
 C    2.239900      -3.615800     -0.8069000    
 C   -4.663200      0.8782000     -5.1899999E-02
 H   0.1893000     -0.1635000      -1.083900    
 H   0.1715000       1.425000      0.9444000    
 H    2.500200       2.079500      0.8392000    
 H   -1.500200      -1.725500     -0.2918000    
 H    1.422100       1.263300      -1.920500    
 H    1.591900      -1.877500      0.8571000    
 H   -2.101000      0.9609000       1.046600    
 H   -1.967100      0.8327000     -0.7357000    
 H    3.268100     -0.1585000     -0.9143000    
 H    3.396700       3.456400      -1.181100    
 H    3.776400       1.987400      -2.110700    
 H    2.672500       3.211200      -2.762200    
 H    1.601300      0.9115000       2.606800    
 H   -2.128800      -1.628300       1.885800    
 H   0.5271000       3.333300      -1.864500    
 H    4.915200     -0.6235000      0.5421000    
 H    1.931600      -4.161900      8.9100003E-02
 H    2.266200      -4.310200      -1.651200    
 H    3.239600      -3.199200     -0.6551000    
 H   -6.591800      0.9871000     -0.1904000    


%chk=000127818-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127818

0 1
O 1.406777 -0.116370 1.999808
O -1.363069 -1.702646 1.407354
O 0.240619 2.379447 -1.120198
O 2.397193 -1.734170 -1.739772
O -4.063771 -1.049736 0.621257
O 4.143128 0.819439 1.915007
O -5.824585 1.010846 0.261679
O -4.114971 2.269095 -0.696241
N 0.915322 -1.978599 0.035605
N 3.265080 0.427521 -0.219409
C 0.251222 -0.675498 -0.108941
C 0.915339 0.454819 0.749386
C 2.051913 1.235904 0.015525
C -1.257513 -0.925891 0.161478
C 1.615336 1.865133 -1.332634
C -2.101729 0.362015 0.223595
C 2.564058 2.982028 -1.790225
C 1.908444 -2.439664 -0.780309
C -3.582765 0.062248 0.282474
C 4.217952 0.291880 0.755737
C 2.423184 -3.842837 -0.495597
C -4.511636 1.237150 -0.109196
H 0.332654 -0.379520 -1.170270
H 0.146825 1.219138 0.966117
H 2.346600 2.050261 0.707259
H -1.630549 -1.550051 -0.681555
H 1.584831 1.066822 -2.106593
H 0.611057 -2.507051 0.859883
H -1.851454 0.927124 1.147371
H -1.869823 1.054176 -0.606658
H 3.230380 -0.247879 -1.008897
H 2.545947 3.822797 -1.073169
H 3.599353 2.604788 -1.857238
H 2.279991 3.362753 -2.789988
H 2.245626 0.353360 2.279594
H -2.312085 -1.985682 1.494700
H 0.019886 3.011761 -1.849135
H 5.087178 -0.325168 0.445261
H 1.879748 -4.348187 0.319976
H 2.338969 -4.447839 -1.414656
H 3.494870 -3.793816 -0.234785
H -6.394833 1.780398 -0.013900


