%chk=000047579.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047579

0 1
 O    3.402500       2.586100     -0.8267000    
 O   0.1491000       1.449000       1.662400    
 O    4.774500       1.224800      0.3456000    
 N    1.245400       1.180700     -0.3666000    
 C    2.448300      0.5877000      0.1617000    
 C    2.692100     -0.8009000     -0.4434000    
 C    1.549400      -1.757600     -0.2021000    
 C  -0.9485000       2.164600     -0.3744000    
 C   0.1825000       1.566700      0.4402000    
 C    3.654900       1.481300     -8.5000001E-02
 C   -2.246500       1.414400     -0.2338000    
 C    1.553100      -2.546000      0.9377000    
 C   0.5175000      -1.829800      -1.124200    
 C   0.4973000      -3.429800       1.161100    
 C  -0.5384000      -2.713600     -0.9007000    
 C   -2.531500      0.3729000      -1.105700    
 C   -3.139200       1.774900      0.7659000    
 C  -0.5484000      -3.513500      0.2420000    
 C   -3.733800     -0.3222000     -0.9754000    
 C   -4.341400       1.079600      0.8961000    
 C   -4.638700      3.0999999E-02  2.5500000E-02
 H    2.348000      0.5055000       1.250800    
 H    2.867900     -0.7149000      -1.525000    
 H    3.618300      -1.232000     -3.9900001E-02
 H    1.206100       1.350500      -1.367300    
 H  -0.6834000       2.235500      -1.436500    
 H   -1.075300       3.202900     -4.1499998E-02
 H    2.361800      -2.485800       1.660400    
 H   0.5175000      -1.215500      -2.020000    
 H   0.4890000      -4.052100       2.051200    
 H   -1.351200      -2.781600      -1.617800    
 H   -1.837900      9.6900001E-02  -1.894100    
 H   -2.916500       2.588600       1.450300    
 H   -1.370400      -4.201600      0.4157000    
 H   -3.965800      -1.137600      -1.654400    
 H   -5.046000       1.354200       1.675700    
 H   -5.574900     -0.5102000      0.1269000    
 H    4.208200       3.128800     -0.9625000    


%chk=000047579-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047579

0 1
O 3.370570 2.249818 -1.511325
O 0.306154 1.427416 1.822957
O 4.781059 1.183271 -0.002425
N 1.147551 1.346772 -0.349101
C 2.371397 0.636051 0.013705
C 2.432519 -0.830178 -0.560924
C 1.388117 -1.743814 0.056443
C -1.020300 2.462587 0.024879
C 0.195163 1.710674 0.592886
C 3.630096 1.369999 -0.445561
C -2.167919 1.515829 -0.327090
C 1.687836 -2.474842 1.234934
C 0.097098 -1.872302 -0.514057
C 0.721528 -3.316162 1.828220
C -0.874220 -2.710058 0.078424
C -2.658861 1.432792 -1.654044
C -2.759000 0.704331 0.675791
C -0.564150 -3.436411 1.250494
C -3.724300 0.559669 -1.976528
C -3.822409 -0.166941 0.355279
C -4.310607 -0.242599 -0.971179
H 2.391412 0.579600 1.117358
H 2.307011 -0.773176 -1.659195
H 3.448866 -1.216043 -0.359267
H 1.052758 1.668192 -1.313747
H -0.733468 3.055918 -0.863115
H -1.339147 3.167768 0.812914
H 2.683322 -2.385732 1.688349
H -0.154742 -1.311732 -1.422450
H 0.969445 -3.876354 2.736878
H -1.870016 -2.787887 -0.371836
H -2.216328 2.061310 -2.437587
H -2.369123 0.750285 1.699130
H -1.315380 -4.088874 1.709777
H -4.097561 0.511061 -3.005922
H -4.270555 -0.786804 1.140110
H -5.140455 -0.914928 -1.216891
H 4.222237 2.673392 -1.804083


