%chk=000031811.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031811

0 1
 O    3.537400     -0.4149000      0.5776000    
 O    1.840300      -2.420800     -0.3006000    
 O    2.629900       2.199200      0.6845000    
 O   -2.478200      -1.319300       1.343200    
 O   -4.147400      -1.222500     -0.1883000    
 N   -3.945000       1.531700     -0.1689000    
 C   -1.745000      0.8202000     -0.9816000    
 C   -2.755300      0.7474000      0.1726000    
 C  -0.3381000      0.4909000     -0.5667000    
 C   0.5025000       1.506300     -0.1296000    
 C   0.1041000     -0.8243000     -0.6257000    
 C    1.409600      -1.129600     -0.2407000    
 C    1.808000       1.201200      0.2552000    
 C    2.261700     -0.1168000      0.1998000    
 C   -3.223900     -0.6792000      0.4048000    
 C    4.539400     -0.3696000     -0.4355000    
 H   -2.047700      0.1588000      -1.805300    
 H   -1.736800       1.830400      -1.415300    
 H   -2.341400       1.149400       1.104600    
 H   0.1456000       2.532200     -8.4600002E-02
 H  -0.5545000      -1.616900     -0.9711000    
 H   -3.680400       2.503900     -0.3245000    
 H   -4.588000       1.538300      0.6224000    
 H    2.750100      -2.459500      4.1099999E-02
 H    2.146700       3.042700      0.6551000    
 H   -2.775800      -2.244200       1.478000    
 H    5.492200     -0.6653000      1.1900000E-02
 H    4.639500      0.6462000     -0.8307000    
 H    4.304000      -1.065200      -1.247200    


%chk=000031811-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031811

0 1
O 3.486936 -0.896120 0.317681
O 1.638945 -2.614594 -0.581702
O 2.845005 1.935085 0.545896
O -2.686552 -0.596579 2.063944
O -3.358531 -1.455953 0.011304
N -4.054728 1.554872 -0.185758
C -1.809848 0.950738 -1.049521
C -2.758599 0.951245 0.182055
C -0.395780 0.494153 -0.721964
C 0.563450 1.437744 -0.275872
C -0.035268 -0.870543 -0.825210
C 1.272776 -1.270988 -0.487047
C 1.871411 1.028990 0.074609
C 2.242834 -0.329366 -0.046882
C -2.951659 -0.487074 0.694015
C 4.707972 -0.255759 -0.223310
H -2.254262 0.297292 -1.824333
H -1.813634 1.985467 -1.436187
H -2.310845 1.548361 0.993329
H 0.287539 2.498344 -0.197579
H -0.751823 -1.623399 -1.166716
H -4.659070 1.776096 0.612296
H -4.552771 1.030168 -0.914270
H 2.584409 -2.684194 -0.270454
H 2.456629 2.841242 0.624235
H -2.832650 -1.537954 2.357708
H 5.540742 -0.879597 0.135427
H 4.797600 0.773193 0.158621
H 4.683272 -0.250171 -1.329812


