%chk=000022947.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022947

0 1
 O   -1.353600       2.139700      8.5000001E-02
 O  -0.3406000      -2.301700     -0.5546000    
 O    2.710500      -1.412400      0.9747000    
 O   -3.098300     -0.7730000      0.9854000    
 N    1.002700     -0.4007000     -0.2536000    
 N   -1.217500     -0.1614000     -0.2509000    
 C   0.8173000       1.032200     -4.1800000E-02
 C  -0.7127000       1.105400     -5.7399999E-02
 C    1.380900       1.870600      -1.186300    
 C    1.338000       1.495700       1.316400    
 C  -0.2079000      -1.097100     -0.3751000    
 C    2.312700      -1.023000     -0.3257000    
 C   -2.631600     -0.4743000     -0.3160000    
 H   0.9999000       1.527500      -2.155400    
 H    1.099100       2.924300      -1.079900    
 H    2.474000       1.821700      -1.223700    
 H    1.085200       2.545900       1.500400    
 H   0.9020000      0.9068000       2.131900    
 H    2.426900       1.395600       1.380600    
 H    3.044700     -0.3329000     -0.7510000    
 H    2.247500      -1.921000     -0.9473000    
 H   -2.786800      -1.346500     -0.9575000    
 H   -3.183100      0.3880000     -0.7017000    
 H    3.584200      -1.831100      0.8935000    
 H   -4.045800     -0.9781000      0.9099000    


%chk=000022947-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022947

0 1
O -1.520382 1.990875 0.169143
O -0.186659 -2.431349 -0.698986
O 3.055301 -1.288016 0.794345
O -3.245869 -0.392329 0.947935
N 1.069289 -0.430455 -0.364341
N -1.188043 -0.289612 -0.323697
C 0.786585 1.001696 -0.041073
C -0.761747 1.009851 -0.054616
C 1.333698 1.965896 -1.119973
C 1.289331 1.394308 1.371997
C -0.089772 -1.198430 -0.482546
C 2.393318 -1.020950 -0.486335
C -2.611303 -0.680517 -0.319069
H 1.036897 1.644466 -2.133470
H 0.929530 2.976455 -0.939433
H 2.435499 2.020522 -1.070023
H 0.969041 2.426291 1.596360
H 0.876974 0.720895 2.142640
H 2.388998 1.330314 1.414580
H 3.071015 -0.318208 -0.993733
H 2.282149 -1.947156 -1.080346
H -2.648522 -1.770249 -0.462203
H -3.114698 -0.155338 -1.154184
H 2.609944 -2.052965 1.239896
H -3.312877 0.594204 1.047031


