%chk=000043258.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043258

1 1
 O    2.376700     -0.4733000     -0.8821000    
 O    2.747300      0.6366000       1.127000    
 N   -2.364100      0.4162000     -0.4036000    
 N    4.355400      0.6384000     -0.5452000    
 C   -2.125900       1.771700      0.2559000    
 C   -3.642100     -0.1796000      0.1834000    
 C   -1.143800     -0.4737000     -0.1551000    
 C   -2.559800      0.5715000      -1.909000    
 C   -1.953300       1.577200       1.746500    
 C   -4.796300      0.7641000     -7.5300001E-02
 C   4.2100001E-02 -3.8500000E-02 -0.6444000    
 C   -1.352500      -1.621700      0.5331000    
 C    1.154100     -0.8496000     -0.4180000    
 C  -0.2404000      -2.432700      0.7593000    
 C    1.012800      -2.046700      0.2837000    
 C    3.137100      0.3066000      1.0800000E-02
 C    5.352600       1.433500      0.1328000    
 H   -1.223800       2.217000     -0.1783000    
 H   -2.936800       2.462300      1.0400000E-02
 H   -3.844800      -1.127100     -0.3325000    
 H   -3.542200     -0.3629000       1.257000    
 H   -2.891100     -0.3852000      -2.325000    
 H   -3.284800       1.363200      -2.110400    
 H   -1.623800      0.8790000      -2.383000    
 H   -1.638400       2.534100       2.181200    
 H   -2.885300       1.323500       2.258300    
 H   -1.183100      0.8555000       2.028200    
 H   -4.995200      0.9689000      -1.128600    
 H   -5.709600      0.2789000      0.2937000    
 H   -4.740100       1.703900      0.4785000    
 H   0.1772000      0.8885000      -1.189000    
 H   -2.290100      -1.988800      0.9241000    
 H  -0.3492000      -3.366100       1.304200    
 H    1.874800      -2.683800      0.4627000    
 H    4.562400      0.3056000      -1.481900    
 H    5.545500       2.324500     -0.4695000    
 H    6.268300      0.8418000      0.2062000    
 H    5.018700       1.725800       1.131100    


%chk=000043258-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043258

1 1
O 2.578332 -0.725358 0.011650
O 2.363547 1.594580 -0.558179
N -2.273799 0.472667 -0.271942
N 4.440410 0.516331 -0.307789
C -2.079541 1.713612 0.655979
C -3.686810 -0.136291 -0.064689
C -1.172717 -0.563001 0.006417
C -2.142899 0.933171 -1.730059
C -2.206251 1.399361 2.147910
C -4.857979 0.833427 -0.256577
C 0.158882 -0.114256 -0.128163
C -1.475231 -1.893603 0.354835
C 1.211204 -1.031351 0.103649
C -0.401065 -2.791411 0.576108
C 0.934796 -2.375198 0.455868
C 3.083268 0.594668 -0.317226
C 5.299498 1.674099 -0.599788
H -1.079132 2.110299 0.423943
H -2.823259 2.458207 0.328361
H -3.759260 -0.971053 -0.781741
H -3.698229 -0.549038 0.955571
H -2.297336 0.064906 -2.388046
H -2.891947 1.711145 -1.934846
H -1.135562 1.339752 -1.891235
H -1.952386 2.314064 2.711673
H -3.228775 1.110193 2.443799
H -1.502334 0.611690 2.464908
H -4.914262 1.263493 -1.269988
H -5.786781 0.254281 -0.107674
H -4.872728 1.650684 0.482980
H 0.428947 0.908084 -0.399618
H -2.494356 -2.266279 0.462103
H -0.620612 -3.828368 0.846599
H 1.766264 -3.063922 0.626635
H 4.860937 -0.388246 -0.087055
H 5.931367 1.477563 -1.483289
H 5.946820 1.906274 0.263671
H 4.657477 2.543420 -0.807552


