%chk=000020668.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020668

0 1
 O  -0.4118000      -1.432400       1.286500    
 O   -2.490200       1.218000     -0.8959000    
 O   -4.421800       1.866000      0.8766000    
 N   -1.346600      -1.290700     -0.8337000    
 N   -4.023500      0.5353000      0.6908000    
 C    1.042400      -1.577500     -0.6442000    
 C    2.028000     -0.5115000     -0.3023000    
 C  -0.2968000      -1.427100      6.3600004E-02
 C    2.080100      0.6589000      -1.059300    
 C    2.897900     -0.6851000      0.7742000    
 C   -2.718200      -1.136900     -0.4086000    
 C    3.001700       1.655900     -0.7397000    
 C    3.819600      0.3119000       1.093700    
 C    3.871600       1.482400      0.3369000    
 C   -3.032300      0.3328000     -0.2384000    
 H   0.9100000      -1.618600      -1.732500    
 H    1.440400      -2.563700     -0.3709000    
 H   -1.160100      -1.275300      -1.831800    
 H   -2.875900      -1.683200      0.5267000    
 H   -3.366900      -1.551400      -1.185800    
 H    1.406100      0.8067000      -1.899000    
 H    2.866500      -1.591400       1.373000    
 H    3.041700       2.567500      -1.328600    
 H    4.496600      0.1771000       1.932200    
 H    4.589100       2.258800      0.5859000    
 H   -4.447600     -0.1657000       1.288000    
 H   -4.561300       1.873000       1.838600    


%chk=000020668-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000020668

0 1
O -1.330320 -2.438333 -0.005538
O -3.831520 1.235183 0.794754
O -4.262909 -0.994306 2.236593
N -0.912309 -0.212366 -0.499759
N -3.439937 -1.014068 1.058344
C 1.000842 -1.685295 0.117338
C 1.902069 -0.485736 -0.125037
C -0.502863 -1.472713 -0.136778
C 2.545399 -0.301808 -1.377053
C 2.104318 0.485241 0.892138
C -2.320024 0.082472 -0.827043
C 3.369193 0.822902 -1.608828
C 2.927093 1.611581 0.663328
C 3.561540 1.784008 -0.588990
C -3.243057 0.164913 0.401101
H 1.293475 -2.540531 -0.518855
H 1.083300 -2.040615 1.161477
H -0.219367 0.539454 -0.535320
H -2.692728 -0.698732 -1.514590
H -2.370627 1.060656 -1.328812
H 2.404871 -1.046696 -2.169973
H 1.624157 0.351931 1.869629
H 3.862924 0.946704 -2.579006
H 3.076609 2.348184 1.460375
H 4.202630 2.654471 -0.765954
H -2.926701 -1.892814 0.877410
H -4.567357 -0.029884 2.245050


