%chk=000085564.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085564

0 1
 O  -0.6356000       2.443200      0.3598000    
 O   -4.468000     -0.3870000      0.3968000    
 O    1.694300      -1.910700     -0.8807000    
 O    3.638600     -0.6827000       1.521900    
 N   0.9905000      0.2660000     -0.3471000    
 C  -0.4035000      0.1113000     -0.1544000    
 C   -1.180000       1.204600      0.1936000    
 C  -0.9621000      -1.145700     -0.3222000    
 C   -2.552300       1.036600      0.3794000    
 C   -3.129400     -0.2225000      0.2143000    
 C    3.318000     -0.1664000     -0.8102000    
 C   -2.334200      -1.313700     -0.1365000    
 C    1.908600     -0.7153000     -0.6959000    
 C    4.121900     -0.2712000      0.4682000    
 C    5.559300      0.1719000      0.3909000    
 C  -0.5742000       3.282900     -0.7911000    
 C   -4.991900      -1.701400      0.2132000    
 H    1.341100       1.210400     -0.2039000    
 H  -0.4206000      -2.038900     -0.5941000    
 H   -3.173200       1.885900      0.6538000    
 H    3.290400      0.8844000      -1.118200    
 H    3.834000     -0.7325000      -1.593800    
 H   -2.718500      -2.317900     -0.2807000    
 H    6.091500     -0.4374000     -0.3437000    
 H    6.037300      4.6000000E-02   1.366400    
 H    5.602500       1.226800      0.1093000    
 H   -1.582700       3.517700      -1.145900    
 H   3.0000000E-03   2.808100      -1.590800    
 H  -7.7600002E-02   4.215200     -0.5085000    
 H   -4.861300      -2.046300     -0.8182000    
 H   -6.069800      -1.648500      0.3983000    
 H   -4.576700      -2.405600      0.9422000    


%chk=000085564-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085564

0 1
O -0.179419 2.140395 -0.126970
O -4.424175 -0.222202 0.121851
O 1.860431 -2.309109 -0.857454
O 3.337889 1.610193 0.095398
N 1.192267 -0.073892 -0.539506
C -0.212304 -0.225910 -0.386772
C -0.961073 0.974511 -0.160891
C -0.907400 -1.453009 -0.443979
C -2.354511 0.940532 0.004422
C -3.031344 -0.304561 -0.056187
C 3.580936 -0.583783 -0.946369
C -2.312559 -1.499392 -0.280735
C 2.119848 -1.069134 -0.757817
C 4.057136 0.583866 -0.079831
C 5.431586 0.456472 0.549999
C -0.849641 3.412543 0.141528
C -5.178897 -1.475356 0.071063
H 1.559011 0.887750 -0.423326
H -0.336649 -2.367675 -0.614112
H -2.943774 1.844078 0.177755
H 3.681658 -0.265253 -2.005740
H 4.224908 -1.467470 -0.814723
H -2.818674 -2.467122 -0.330058
H 5.427550 -0.369722 1.287354
H 5.713993 1.393332 1.053900
H 6.188880 0.195978 -0.213237
H -1.352501 3.396228 1.127478
H -1.587637 3.648126 -0.649309
H -0.048108 4.165227 0.142287
H -5.074908 -1.968276 -0.915346
H -6.227965 -1.186995 0.233475
H -4.855153 -2.173067 0.868051


