%chk=000099727.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099727

0 1
 O    1.605000       2.064500      0.5057000    
 O    1.421400      -2.486600     -0.2917000    
 O   -6.708600       1.392700     -0.3368000    
 O   -6.928600     -0.8257000     -0.7695000    
 N    1.170300     -0.2242000      0.2714000    
 C    2.951100      0.6332000     -0.9395000    
 C    3.175500     -0.8672000     -0.7232000    
 C    4.189200       1.519900     -0.8580000    
 C    4.202100      -1.221100      0.3653000    
 C    1.855400      0.9570000      5.5000000E-02
 C    1.810000      -1.327800     -0.2585000    
 C  -7.4900001E-02 -0.2907000       1.010500    
 C    5.262400       1.020600      5.3100001E-02
 C    5.267300     -0.2001000      0.5973000    
 C   -1.276700     -7.0200004E-02  9.8999999E-02
 C   -2.618200     -0.1485000      0.8315000    
 C   -3.825000      4.2199999E-02 -8.9299999E-02
 C   -5.136700     -5.8600001E-02  0.6892000    
 C   -6.341100      9.0599999E-02 -0.2115000    
 H    2.485600      0.7888000      -1.924500    
 H    3.431600      -1.352000      -1.671800    
 H    3.913100       2.536100     -0.5537000    
 H    4.629200       1.604100      -1.859700    
 H    4.682500      -2.167800      8.7099999E-02
 H    3.710000      -1.412400       1.327900    
 H  -0.1461000      -1.273800       1.489100    
 H  -5.9300002E-02  0.4743000       1.795000    
 H    6.086200       1.695300      0.2689000    
 H    6.087300     -0.4783000       1.253900    
 H   -1.190200      0.9084000     -0.3902000    
 H   -1.262600     -0.8164000     -0.7057000    
 H   -2.640400      0.6136000       1.620400    
 H   -2.696100      -1.122800       1.330000    
 H   -3.763800       1.018800     -0.5850000    
 H   -3.809700     -0.7141000     -0.8836000    
 H   -5.217500      -1.030000       1.191300    
 H   -5.187000      0.7009000       1.478300    
 H   -7.489600       1.497400     -0.9210000    


%chk=000099727-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099727

0 1
O 1.564027 2.153822 0.433410
O 1.390094 -2.505979 -0.028111
O -7.605125 0.230780 0.349534
O -6.377689 0.475962 -1.605618
N 1.176850 -0.177513 0.328053
C 3.068577 0.619636 -0.876177
C 3.238671 -0.905438 -0.610326
C 4.318692 1.528020 -0.748962
C 4.279052 -1.231277 0.506940
C 1.891455 1.009962 0.035489
C 1.851676 -1.342670 -0.118848
C -0.124760 -0.197428 1.017494
C 5.541325 0.844480 -0.173039
C 5.535503 -0.394075 0.380676
C -1.309574 -0.036833 0.038535
C -2.666286 -0.048474 0.775942
C -3.860211 0.113135 -0.190126
C -5.209570 0.102814 0.552418
C -6.398389 0.289146 -0.369816
H 2.666757 0.731553 -1.904709
H 3.515000 -1.455307 -1.524532
H 4.047811 2.406382 -0.126844
H 4.580956 1.946697 -1.739763
H 4.513658 -2.310132 0.469459
H 3.822928 -1.053965 1.504254
H -0.199646 -1.160904 1.553036
H -0.121801 0.629397 1.750889
H 6.478490 1.415687 -0.215403
H 6.463414 -0.815093 0.789014
H -1.195918 0.915422 -0.515123
H -1.279944 -0.857879 -0.703483
H -2.683908 0.769131 1.526625
H -2.770769 -0.998796 1.340173
H -3.760592 1.058169 -0.757123
H -3.847529 -0.698462 -0.942307
H -5.355333 -0.844495 1.107600
H -5.248849 0.903783 1.317274
H -8.365944 0.360841 -0.279807


