%chk=000011139.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011139

0 1
 O    1.478400      0.1988000       1.876100    
 O   -2.845000      -2.086100      0.1842000    
 O   -4.270200      0.1849000     -0.5496000    
 N    3.500100     -0.3017000     -0.1176000    
 C    1.262900      0.5309000      0.5051000    
 C    2.069400     -0.4064000     -0.4021000    
 C  -0.2203000      0.4345000      0.2228000    
 C  -0.8515000     -0.7923000      0.3349000    
 C  -0.9144000       1.575400     -0.1414000    
 C    3.972700       1.059300     -0.3682000    
 C    4.253300      -1.261100     -0.9246000    
 C   -2.219100     -0.8811000      7.5099997E-02
 C   -2.281900       1.486600     -0.4015000    
 C   -2.934400      0.2585000     -0.2932000    
 H    1.566200       1.573800      0.3722000    
 H    1.854800     -0.1922000      -1.458000    
 H    1.772300      -1.445300     -0.2138000    
 H  -0.3037000      -1.680400      0.6368000    
 H  -0.4191000       2.537900     -0.2295000    
 H    3.630000       1.760700      0.3982000    
 H    3.679700       1.430700      -1.357000    
 H    5.067700       1.098400     -0.3122000    
 H    5.319800      -1.220800     -0.6764000    
 H    4.141900      -1.075600      -1.999200    
 H    3.924400      -2.285200     -0.7152000    
 H   -2.833500       2.378000     -0.6880000    
 H   0.8392000      0.6969000       2.413900    
 H   -2.194100      -2.759500      0.4466000    
 H   -4.554800     -0.7375000     -0.4266000    


%chk=000011139-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000011139

0 1
O 1.518360 -0.691504 1.875653
O -3.292575 -1.887601 0.263557
O -4.306258 0.425028 -0.687873
N 3.561522 -0.013834 -0.305879
C 1.278475 0.213052 0.732094
C 2.132258 -0.361454 -0.425755
C -0.206128 0.284220 0.385053
C -1.021045 -0.869269 0.527397
C -0.782731 1.477473 -0.112954
C 3.890986 1.297372 -0.889301
C 4.484136 -1.081153 -0.729296
C -2.376435 -0.811869 0.166330
C -2.148376 1.531569 -0.475827
C -2.952281 0.385005 -0.339157
H 1.647624 1.233528 0.970099
H 1.697747 -0.017767 -1.396177
H 2.017779 -1.460472 -0.388575
H -0.575423 -1.786810 0.931954
H -0.164999 2.377589 -0.216958
H 3.237844 2.080437 -0.462997
H 3.776350 1.329962 -2.004403
H 4.934997 1.564446 -0.644912
H 5.522463 -0.789835 -0.485441
H 4.444398 -1.307939 -1.826087
H 4.254881 -2.008150 -0.175889
H -2.604622 2.449693 -0.857282
H 1.086858 -0.304548 2.679529
H -2.861870 -2.706595 0.606111
H -4.703135 -0.470475 -0.521214


