%chk=000070878.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070878

0 1
 O   -1.196100      0.5463000      0.2908000    
 O    1.570000       3.579000     -0.8552000    
 O    3.706800       3.413600     -0.1361000    
 O   0.3248000      0.6767000       2.006900    
 N   0.9194000       1.135100     -0.1887000    
 C    2.309700       1.446100      3.0700000E-02
 C    3.219600      0.5134000     -0.7796000    
 C    3.005900     -0.9456000     -0.4556000    
 C    2.609600       2.896500     -0.3181000    
 C    2.069000      -1.671000      -1.174400    
 C    3.750300      -1.532900      0.5553000    
 C   4.3900002E-02  0.7767000      0.8170000    
 C    1.871600      -3.018900     -0.8747000    
 C    3.552800      -2.880800      0.8548000    
 C   -2.210300      0.1638000       1.226700    
 C   -3.500600     -4.9199998E-02  0.4908000    
 C    2.613500      -3.623700      0.1399000    
 C   -4.378200       1.015400      0.3179000    
 C   -3.806700      -1.308800     -1.2100000E-02
 C   -5.577500      0.8178000     -0.3664000    
 C   -5.006100      -1.506400     -0.6964000    
 C   -5.891400     -0.4430000     -0.8735000    
 H    2.522000       1.337700       1.101500    
 H    3.058600      0.6711000      -1.855300    
 H    4.273400      0.7725000     -0.6103000    
 H   0.5516000       1.213200      -1.132300    
 H    1.487600      -1.211600      -1.968500    
 H    4.482100     -0.9615000       1.119000    
 H    1.140300      -3.597600      -1.431500    
 H    4.129900      -3.351700       1.645300    
 H   -2.330500      0.9490000       1.983600    
 H   -1.910300     -0.7580000       1.740700    
 H    2.459600      -4.673200      0.3734000    
 H   -4.142600       2.002200      0.7068000    
 H   -3.123300      -2.143400      0.1181000    
 H    1.810100       4.506300      -1.066700    
 H   -6.266500       1.645800     -0.5049000    
 H   -5.250400      -2.487900      -1.092000    
 H   -6.825000     -0.5968000      -1.406600    


%chk=000070878-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000070878

0 1
O -1.233201 0.534149 0.216618
O 1.815588 3.490196 -1.349278
O 3.659393 3.557855 0.066469
O 0.434898 0.356250 1.879679
N 0.871562 1.235462 -0.260425
C 2.285785 1.505747 -0.029855
C 3.239352 0.545267 -0.837757
C 3.056029 -0.910889 -0.446726
C 2.669515 2.942768 -0.378871
C 2.243859 -1.776314 -1.221595
C 3.681607 -1.426150 0.717694
C 0.073954 0.679950 0.718745
C 2.061173 -3.126529 -0.844714
C 3.502075 -2.773511 1.097903
C -2.201794 -0.076829 1.186643
C -3.544243 -0.143425 0.501336
C 2.690377 -3.629353 0.316811
C -4.465670 0.927864 0.615334
C -3.902220 -1.278279 -0.269261
C -5.720166 0.869166 -0.031639
C -5.155271 -1.340989 -0.918285
C -6.067445 -0.266185 -0.800543
H 2.478118 1.359495 1.047562
H 3.039243 0.687734 -1.916486
H 4.276800 0.875465 -0.641700
H 0.438107 1.526676 -1.137563
H 1.754334 -1.393028 -2.125232
H 4.311803 -0.768847 1.330179
H 1.432252 -3.783579 -1.456249
H 3.992323 -3.155925 2.000121
H -2.221470 0.552215 2.094192
H -1.819342 -1.075283 1.463685
H 2.551085 -4.675873 0.610385
H -4.197051 1.809204 1.210264
H -3.195067 -2.111520 -0.361265
H 2.118752 4.409243 -1.580690
H -6.425144 1.702330 0.065075
H -5.421749 -2.223827 -1.510000
H -7.041548 -0.314501 -1.300260


