%chk=000005986.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005986

0 1
 O    3.541100      -1.644500       1.378100    
 O   -3.985400      6.0100000E-02  -1.391200    
 O   -2.905000      -1.934200      -1.532000    
 N   7.7100001E-02  -1.626900      0.3539000    
 N   -2.598300     -0.5362000      0.3631000    
 C    2.932400     -0.8077000      0.3833000    
 C    2.311800      -1.691900     -0.7230000    
 C    1.800700     -8.6000003E-03   1.067300    
 C    1.095400      -2.495400     -0.2453000    
 C   0.6205000     -0.8873000       1.498200    
 C   -1.091500      -2.408800      0.7567000    
 C    4.070000      4.2399999E-02 -0.1848000    
 C   -2.209400      -1.532900       1.336800    
 C   -3.435100      -2.332700       1.771900    
 C    5.145800     -0.5723000     -0.8240000    
 C    4.029700       1.430500     -6.2199999E-02
 C   -2.427900      0.8775000      0.6798000    
 C    6.183300      0.2031000      -1.341900    
 C    5.067200       2.205800     -0.5801000    
 C   -3.144700     -0.9084000     -0.8995000    
 C    6.144000       1.592100      -1.219700    
 C   -2.189500       1.734600     -0.3546000    
 C   -2.518700       1.249700       1.989300    
 C   -2.027000       3.086500     -5.2099999E-02
 C   -2.356200       2.601600       2.291600    
 C   -2.110300       3.520000       1.270900    
 C   -4.565200     -0.1908000      -2.677400    
 C   -5.455000      0.9748000      -3.053100    
 H    3.044900      -2.413400      -1.103800    
 H    2.009200      -1.062900      -1.571500    
 H    1.406400      0.7573000      0.3858000    
 H    2.183000      0.5012000       1.961400    
 H   0.6728000      -3.009800      -1.117500    
 H    1.413300      -3.275100      0.4586000    
 H   0.9265000      -1.568700       2.302100    
 H  -9.6299998E-02 -0.1908000       1.932500    
 H   -1.455500      -3.004500     -8.6199999E-02
 H  -0.8018000      -3.145600       1.520000    
 H   -1.834500      -1.094500       2.261900    
 H    2.885600      -2.282000       1.702900    
 H   -4.213500      -1.673700       2.172000    
 H   -3.167100      -3.051800       2.553400    
 H   -3.871800      -2.896500      0.9407000    
 H    5.204100      -1.652700     -0.9194000    
 H    3.221900       1.957900      0.4325000    
 H    7.023500     -0.2747000      -1.837300    
 H    5.038400       3.287300     -0.4836000    
 H    6.952500       2.195600      -1.621800    
 H   -2.051400       1.427500      -1.385500    
 H   -2.764400      0.5831000       2.806900    
 H   -1.820800       3.799800     -0.8448000    
 H   -2.433000       2.941800       3.320300    
 H   -1.983000       4.572500       1.506500    
 H   -5.158200      -1.111200      -2.636500    
 H   -3.767900     -0.3022000      -3.420500    
 H   -4.879200       1.905900      -3.078500    
 H   -6.246200       1.111100      -2.308300    
 H   -5.914800      0.8165000      -4.032500    


%chk=000005986-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005986

0 1
O 3.631660 -1.964210 0.838843
O -3.535106 0.192607 -1.488722
O -3.396084 -2.104566 -1.051947
N -0.024024 -1.753601 0.614457
N -2.729984 -0.523083 0.559800
C 2.799538 -0.928167 0.175255
C 1.926039 -1.599332 -0.925986
C 1.873636 -0.259592 1.232205
C 0.831335 -2.506937 -0.329966
C 0.776488 -1.217676 1.737367
C -1.226677 -2.502071 1.035887
C 3.779633 0.079433 -0.435214
C -2.371493 -1.588882 1.555581
C -3.593379 -2.425315 1.993290
C 5.180273 -0.104558 -0.333195
C 3.289109 1.217011 -1.128381
C -2.416372 0.849325 0.893070
C 6.070551 0.828379 -0.913016
C 4.177740 2.148470 -1.708015
C -3.216250 -0.909606 -0.679756
C 5.575429 1.957753 -1.603153
C -1.547163 1.619806 0.081916
C -2.938893 1.407242 2.086084
C -1.218085 2.939067 0.457402
C -2.593249 2.723714 2.465598
C -1.734376 3.496570 1.651752
C -4.117047 -0.154226 -2.817118
C -4.434286 1.168540 -3.508263
H 2.587537 -2.183949 -1.591484
H 1.437858 -0.814572 -1.531941
H 1.382244 0.624132 0.788048
H 2.497390 0.086109 2.077133
H 0.197701 -2.902482 -1.143994
H 1.304836 -3.399857 0.167663
H 1.234742 -2.054411 2.337897
H 0.117140 -0.664138 2.428856
H -1.610137 -3.064558 0.168013
H -1.001521 -3.241789 1.847053
H -2.003875 -1.028801 2.434174
H 3.028190 -2.627889 1.259433
H -4.386136 -1.774728 2.403381
H -3.296782 -3.143520 2.779872
H -4.006805 -2.987059 1.140166
H 5.553806 -0.980898 0.201828
H 2.208168 1.382978 -1.220013
H 7.151964 0.671385 -0.825520
H 3.781403 3.020785 -2.240432
H 6.266613 2.679601 -2.053033
H -1.140317 1.177777 -0.831686
H -3.627683 0.818622 2.702760
H -0.547819 3.530792 -0.176506
H -3.005219 3.147412 3.388318
H -1.469864 4.518941 1.942851
H -5.017928 -0.773789 -2.656856
H -3.381817 -0.759048 -3.378846
H -3.521484 1.774821 -3.638772
H -5.158824 1.755798 -2.918859
H -4.869843 0.973737 -4.505477


