%chk=000158199.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158199

0 1
 O   -2.206900       2.289400     -0.5546000    
 O   -3.990000      0.6479000      -1.720700    
 O   -3.911100     -0.9345000       1.562900    
 N    2.048100      -1.618900     -0.2498000    
 C   -3.226000       1.738500      0.2875000    
 C   -1.758900       1.506000      0.5617000    
 C   -4.037200      0.6201000     -0.2944000    
 C   -1.177100      0.1451000      0.2563000    
 C   -3.553400     -0.7558000      0.1942000    
 C   -2.054600     -0.9481000      8.2699999E-02
 C   0.2256000     -7.7200003E-02  0.1335000    
 C   -1.540000      -2.220900     -0.1675000    
 C   0.7312000      -1.364800     -0.1301000    
 C  -0.1648000      -2.414300     -0.2711000    
 C    1.177800      0.9489000      0.2621000    
 C    2.548900      0.6944000      0.1377000    
 C    2.944900     -0.6250000     -0.1215000    
 C    3.509100       1.713800      0.2648000    
 C    4.306400     -0.8896000     -0.2469000    
 C    4.864300       1.425200      0.1350000    
 C    5.263700      0.1199000     -0.1215000    
 H   -3.781600       2.407400      0.9292000    
 H   -1.351800       2.042800       1.413200    
 H   -5.084900      0.7645000     -7.8999996E-03
 H   -4.057100      -1.535900     -0.3908000    
 H   -2.205300      -3.072100     -0.2873000    
 H   -3.062600      0.5506000      -1.995500    
 H   0.2041000      -3.418900     -0.4713000    
 H   0.8543000       1.969800      0.4600000    
 H   -4.878700     -0.8608000       1.625200    
 H    3.205100       2.738800      0.4658000    
 H    4.643400      -1.905000     -0.4483000    
 H    5.603300       2.214300      0.2336000    
 H    6.318500     -0.1171000     -0.2247000    


%chk=000158199-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158199

0 1
O -2.230778 2.342833 -0.626875
O -3.986113 0.646469 -1.769610
O -3.926347 -0.965994 1.624821
N 2.082970 -1.684372 -0.206942
C -3.228774 1.718777 0.331934
C -1.780506 1.454187 0.570101
C -4.065492 0.596897 -0.310422
C -1.212904 0.118312 0.242997
C -3.584166 -0.788826 0.189368
C -2.080024 -0.970275 0.081022
C 0.218122 -0.066008 0.136113
C -1.548429 -2.282153 -0.161199
C 0.745151 -1.408656 -0.101466
C -0.179670 -2.501756 -0.242249
C 1.153251 0.993040 0.232172
C 2.541383 0.735247 0.125464
C 2.969294 -0.645101 -0.090575
C 3.538838 1.768491 0.218492
C 4.376066 -0.929205 -0.195255
C 4.890846 1.456818 0.112188
C 5.312086 0.095901 -0.095182
H -3.751254 2.447716 0.959194
H -1.263538 2.053055 1.328856
H -5.130193 0.727122 -0.042229
H -4.091210 -1.557826 -0.427828
H -2.248092 -3.117979 -0.273404
H -3.178080 1.193512 -1.987652
H 0.240971 -3.495446 -0.420814
H 0.811713 2.025062 0.371062
H -4.901130 -1.135079 1.700991
H 3.216205 2.804864 0.375635
H 4.669265 -1.971002 -0.356400
H 5.645640 2.247283 0.185247
H 6.381599 -0.127406 -0.176054


