%chk=000108037.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108037

0 1
 O    3.502700      -1.090000      0.3674000    
 O    1.197300      -2.573800      0.9715000    
 O    3.367400       1.055000      -1.403600    
 O    2.288700       2.994400      0.2952000    
 O   -3.656500       1.306500       1.227400    
 N   -1.148600     -0.1291000      0.7311000    
 N   -2.083800     -0.8260000      -1.158900    
 C    2.254300     -0.7491000     -0.2388000    
 C    1.110800      -1.175700      0.7019000    
 C    2.246500      0.7554000     -0.5696000    
 C  -0.2563000     -0.9094000      0.1017000    
 C    2.329200       1.625000      0.6836000    
 C  -0.8150000      -1.336300      -1.044200    
 C   -2.253700     -0.1040000     -7.3500000E-02
 C   -3.458000      0.6074000      0.2008000    
 C   -4.625200      0.5496000     -0.7920000    
 H    2.211700      -1.329900      -1.169000    
 H    1.206300     -0.6869000       1.677400    
 H    1.355800       1.022900      -1.147600    
 H    1.488300       1.463200       1.360800    
 H    3.262400       1.466500       1.233500    
 H   -1.038200      0.3482000       1.616700    
 H  -0.3995000      -1.979100      -1.806400    
 H    4.197200     -0.9710000     -0.3022000    
 H    2.087900      -2.748100       1.321100    
 H    4.174000      0.9813000     -0.8660000    
 H    3.035500       3.148400     -0.3084000    
 H   -4.303500      0.9490000      -1.757500    
 H   -5.459600       1.151700     -0.4210000    
 H   -4.958800     -0.4855000     -0.9035000    


%chk=000108037-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108037

0 1
O 3.325419 -1.081692 0.787730
O 1.059717 -1.285999 2.237472
O 3.430329 -0.327963 -1.810835
O 3.462714 2.427831 -1.588027
O -3.415771 -2.143068 -0.675616
N -1.173030 -0.771772 0.317750
N -2.216912 1.226212 0.094938
C 2.048813 -0.692928 0.173194
C 1.098375 -0.153827 1.270439
C 2.416739 0.304990 -0.940113
C -0.274022 0.185450 0.775117
C 2.983576 1.654984 -0.444490
C -0.947054 1.417270 0.628864
C -2.335825 -0.119011 -0.081643
C -3.494916 -0.876901 -0.596532
C -4.725228 -0.088422 -0.989060
H 1.574157 -1.584554 -0.291066
H 1.548279 0.738536 1.746206
H 1.549722 0.486835 -1.597229
H 2.197713 2.273704 0.023722
H 3.795153 1.471195 0.291273
H -1.058064 -1.787738 0.307053
H -0.578438 2.412702 0.869616
H 3.115677 -1.672615 1.557056
H 0.577819 -1.008404 3.056924
H 4.062355 -0.804565 -1.205313
H 3.932647 1.778135 -2.179001
H -5.234324 0.284199 -0.079927
H -5.416227 -0.734288 -1.551596
H -4.450094 0.802304 -1.579006


