%chk=000047043.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047043

1 1
 O   -2.684400      -1.039800     -3.9500002E-02
 O   -2.904600       1.261900      0.2053000    
 N    2.873200     -0.4312000      0.2695000    
 N   -4.774200     -9.3199998E-02 -1.8700000E-02
 C    1.354800     -0.5956000      0.1682000    
 C    3.345900      0.9147000     -0.2764000    
 C    3.541800      -1.535500     -0.5441000    
 C    3.279400     -0.5169000       1.738200    
 C   0.7916000     -0.5315000      -1.062100    
 C   0.6961000     -0.7937000       1.337700    
 C    2.733800       2.076200      0.4349000    
 C  -0.5933000     -0.6837000      -1.133900    
 C    1.561300     -0.3105000      -2.323100    
 C  -0.6887000     -0.9457000       1.266000    
 C   -1.333300     -0.8909000      3.0099999E-02
 C    2.002900       3.019900     -0.1684000    
 C   -3.419800      0.1570000      6.2100001E-02
 C   -5.782600      0.9384000      5.4099999E-02
 H    4.427800      0.9492000     -8.1900001E-02
 H    3.273300      0.9768000      -1.358000    
 H    4.051500      -1.126800      -1.420900    
 H    4.327900      -1.977200      8.0100000E-02
 H    2.833600      -2.334800     -0.7852000    
 H    3.092600      -1.531800       2.109600    
 H    4.363700     -0.3556000       1.786300    
 H    2.802900      0.2546000       2.349400    
 H    1.099800     -0.8642000       2.336700    
 H    2.946100       2.214200       1.491100    
 H   -1.107000     -0.6402000      -2.091400    
 H    2.436800     -0.9211000      -2.501600    
 H   0.9166000     -0.6058000      -3.165200    
 H    1.738300      0.7513000      -2.508800    
 H   -1.260900      -1.109900       2.175400    
 H    1.614100       3.859500      0.3974000    
 H    1.778900       2.973900      -1.228200    
 H   -5.078600      -1.054700     -0.1360000    
 H   -6.369600      0.9069000     -0.8670000    
 H   -5.334000       1.927200      0.1746000    
 H   -6.433000      0.7199000      0.9046000    


%chk=000047043-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047043

1 1
O -2.779477 -0.293874 0.627434
O -3.452193 0.370829 -1.579460
N 2.964168 -0.528193 0.253162
N -4.979909 -0.070111 0.156348
C 1.431928 -0.407344 0.264379
C 3.657832 0.792956 -0.270921
C 3.386539 -1.715893 -0.625393
C 3.551550 -0.803392 1.639857
C 0.684053 -0.080340 -0.909999
C 0.759209 -0.676489 1.481486
C 3.465629 1.976836 0.641706
C -0.731294 -0.037544 -0.799028
C 1.210685 0.283448 -2.298533
C -0.639399 -0.627216 1.569728
C -1.394642 -0.303672 0.420944
C 2.613032 2.995982 0.368329
C -3.746681 0.043563 -0.409002
C -6.214664 0.198895 -0.595774
H 4.725233 0.524668 -0.370530
H 3.247271 0.986225 -1.268085
H 3.085277 -1.544282 -1.664411
H 4.480639 -1.830663 -0.569535
H 2.887684 -2.619320 -0.244995
H 3.221925 -1.790750 1.993358
H 4.648343 -0.800156 1.542961
H 3.241653 -0.019173 2.341896
H 1.299263 -0.932119 2.393397
H 4.101641 2.033684 1.534444
H -1.326088 0.212580 -1.679389
H 2.117043 -0.250018 -2.624380
H 0.434565 0.064139 -3.049038
H 1.417159 1.368672 -2.376124
H -1.151394 -0.836831 2.512171
H 2.534247 3.862967 1.032379
H 1.975857 3.005776 -0.524332
H -5.028905 -0.352421 1.136526
H -6.855019 -0.699744 -0.630081
H -5.942697 0.480790 -1.624307
H -6.779364 1.028834 -0.136287


