%chk=000085538.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085538

0 1
 O  -6.7800000E-02  0.4021000     -0.1751000    
 O   -3.617800     -0.3541000      0.1380000    
 O    4.090500      0.2977000      0.9007000    
 O    1.260400      -1.468700     -5.5799998E-02
 N    2.157000      0.6485000     -0.3551000    
 C   -1.228800     -0.4180000     -1.0000000E-03
 C   -2.463400      0.4627000     -1.4500000E-02
 C    1.129300     -0.2557000     -0.1842000    
 C    3.547600      0.2622000     -0.4076000    
 C   -4.807000      0.4232000      0.1546000    
 H   -1.287500      -1.156900     -0.8092000    
 H   -1.165000     -0.9583000      0.9512000    
 H   -2.516700       1.017900     -0.9587000    
 H   -2.407100       1.195600      0.7996000    
 H    1.925600       1.634200     -0.4305000    
 H    4.084300      0.9717000      -1.043000    
 H    3.650700     -0.7493000     -0.8096000    
 H   -4.920900      0.9703000     -0.7863000    
 H   -4.797800       1.120700      0.9978000    
 H   -5.658600     -0.2525000      0.2705000    
 H    3.839900       1.155000       1.284500    


%chk=000085538-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085538

0 1
O -0.081987 0.416925 -0.188072
O -3.652233 -0.355253 0.123257
O 4.175077 0.339670 0.982183
O 1.277863 -1.509060 -0.114792
N 2.167838 0.655178 -0.405959
C -1.278486 -0.451574 -0.042222
C -2.472442 0.499506 -0.017623
C 1.148785 -0.268415 -0.219164
C 3.570224 0.270497 -0.352935
C -4.891562 0.417140 0.171002
H -1.337375 -1.152190 -0.892828
H -1.204815 -1.033675 0.892084
H -2.519917 1.089485 -0.958740
H -2.389068 1.205636 0.837008
H 1.894981 1.635346 -0.490929
H 4.131889 0.898726 -1.072445
H 3.647115 -0.791559 -0.625341
H -5.043576 1.001768 -0.761460
H -4.904107 1.113344 1.036673
H -5.706562 -0.315142 0.279586
H 4.215259 1.281945 1.287017


