%chk=000042666.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042666

0 1
 O    3.440600      0.9901000     -6.5399997E-02
 O    1.835300       2.231200       1.002200    
 O  -0.8022000      -1.648200       1.288300    
 N   5.9799999E-02  0.1589000      0.1420000    
 C    3.584900     -0.3752000     -0.5000000    
 C    2.153100     -0.8736000     -0.6321000    
 C    1.430900     -0.1078000      0.4554000    
 C    2.209000       1.179800      0.5056000    
 C    4.320100     -0.3899000      -1.836500    
 C    4.381700      -1.143000      0.5573000    
 C  -0.9871000     -0.6506000      0.5920000    
 C   -2.335800     -0.2613000      0.1571000    
 C   -3.324200      -1.229000      5.1300000E-02
 C   -2.599500       1.067800     -0.1403000    
 C   -4.604400     -0.8596000     -0.3611000    
 C   -3.879800       1.437100     -0.5527000    
 C   -4.882200      0.4734000     -0.6631000    
 H    2.055500      -1.958900     -0.5249000    
 H    1.740100     -0.6078000      -1.614600    
 H    1.518100     -0.6093000       1.425200    
 H    3.798500      0.2256000      -2.578300    
 H    5.323100      3.9700001E-02  -1.733700    
 H    4.414800      -1.406500      -2.231400    
 H    4.496100      -2.196800      0.2837000    
 H    5.379400     -0.7063000      0.6807000    
 H    3.903500      -1.091300       1.541300    
 H  -0.1241000      0.9242000     -0.4982000    
 H   -3.124300      -2.272400      0.2787000    
 H   -1.860000       1.855200     -3.4200002E-02
 H   -5.384800      -1.609900     -0.4477000    
 H   -4.099200       2.476300     -0.7802000    
 H   -5.879600      0.7613000     -0.9825000    


%chk=000042666-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042666

0 1
O 3.576652 1.013688 -0.154190
O 1.877326 2.483499 0.449593
O -0.616118 -1.828878 0.517724
N 0.053233 0.324521 0.011863
C 3.688908 -0.490096 -0.472062
C 2.204260 -0.925496 -0.631940
C 1.446801 0.028490 0.322156
C 2.279322 1.323022 0.241615
C 4.508783 -0.582945 -1.760607
C 4.392691 -1.148087 0.726413
C -0.928042 -0.635249 0.195623
C -2.356576 -0.209236 -0.019877
C -3.324659 -1.236712 -0.158803
C -2.774898 1.147373 -0.063876
C -4.683383 -0.917413 -0.357110
C -4.136585 1.466311 -0.257778
C -5.093327 0.435974 -0.410241
H 2.040750 -1.981920 -0.373182
H 1.861946 -0.755861 -1.668544
H 1.510757 -0.374611 1.354170
H 4.040371 0.008433 -2.565611
H 5.534201 -0.206913 -1.602803
H 4.570027 -1.636099 -2.090456
H 4.584670 -2.214748 0.511847
H 5.358654 -0.651729 0.920516
H 3.782908 -1.088539 1.644991
H -0.173675 1.300456 -0.194904
H -2.983014 -2.275278 -0.100254
H -2.062457 1.968571 0.081299
H -5.421938 -1.718818 -0.467565
H -4.451107 2.515254 -0.282412
H -6.149181 0.686238 -0.561695


