%chk=000122948.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122948

0 1
 O    1.368400      0.5335000      -1.019800    
 O    1.212200      -2.359600       1.085500    
 O    3.398500      -1.569800     -0.3616000    
 O    2.364200       3.059800     -0.2779000    
 O   -1.578100      -2.296200     -0.7029000    
 N  -0.7149000     -0.2033000     -0.2555000    
 N   -3.077500     -0.6823000     -0.1558000    
 N   -4.608700      0.9761000      0.4036000    
 C    1.365600     -0.9838000      0.8014000    
 C    2.797300     -0.5977000      0.4932000    
 C   0.6506000     -0.5876000     -0.4792000    
 C    2.616500      0.6842000     -0.3082000    
 C    2.518900       1.929800      0.5627000    
 C  -0.9873000       1.108800      9.8999999E-02
 C   -1.785600      -1.123000     -0.3874000    
 C   -2.222400       1.552400      0.3248000    
 C   -3.317500      0.5585000      0.1780000    
 H   0.9952000     -0.4093000       1.659000    
 H    3.430400     -0.4893000       1.378200    
 H   0.6816000      -1.398100      -1.217400    
 H    3.398200      0.8113000      -1.065700    
 H    3.432700       2.064300       1.150800    
 H    1.677600       1.902500       1.258200    
 H    1.770700      -2.562000       1.855400    
 H    3.405400      -2.413600      0.1216000    
 H  -0.1686000       1.804600      0.1922000    
 H    3.147900       3.112700     -0.8510000    
 H   -2.443000       2.575300      0.5996000    
 H   -5.387300      0.3320000      0.3143000    
 H   -4.827300       1.932300      0.6632000    


%chk=000122948-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122948

0 1
O 1.465514 0.781727 -0.763512
O 1.347858 -2.453096 0.925655
O 3.507429 -1.649008 -0.303990
O 2.891832 3.167873 -0.077858
O -1.186134 -2.247811 0.338861
N -0.709536 -0.001592 -0.131609
N -2.971137 -0.734746 0.330491
N -4.724467 0.782344 0.350539
C 1.439120 -1.013021 0.852555
C 2.924165 -0.644983 0.575030
C 0.708231 -0.406810 -0.387053
C 2.858228 0.695612 -0.172792
C 3.058925 1.938676 0.700060
C -1.138534 1.299165 -0.276733
C -1.646165 -1.064017 0.193011
C -2.470634 1.630928 -0.110549
C -3.380935 0.550768 0.191505
H 1.071427 -0.519745 1.775842
H 3.500248 -0.570052 1.519446
H 0.703812 -1.147310 -1.211852
H 3.558331 0.695482 -1.024894
H 4.095074 1.969083 1.077839
H 2.360661 1.918430 1.565662
H 0.371715 -2.674536 0.742901
H 3.037811 -2.502891 -0.071906
H -0.367736 2.025672 -0.536108
H 2.060807 3.075612 -0.611543
H -2.803652 2.663927 -0.224758
H -5.323713 -0.015874 0.557208
H -5.124846 1.712692 0.266851


