%chk=000040637.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040637

0 1
 O   -1.198700       1.106600      0.2476000    
 O   -3.280800      0.1432000      0.5383000    
 O   -1.137400      -2.992600      0.4725000    
 N  -0.9728000      -1.175900     -0.5836000    
 N  -0.4665000      -2.376000     -0.3639000    
 C  -0.5015000     -0.1628000      0.4036000    
 C   0.9842000      0.1461000      0.2565000    
 C    1.892600     -0.6029000      0.9737000    
 C    1.370600       1.164000     -0.5892000    
 C  -0.7182000     -0.6997000      -1.954600    
 C    3.251900     -0.3204000      0.8391000    
 C    2.729900       1.446300     -0.7239000    
 C    3.670700      0.7040000     -9.7000003E-03
 C   -2.559500       1.110400      0.3368000    
 C   -3.064600       2.509700      0.1570000    
 H  -0.7056000     -0.4906000       1.433200    
 H    1.576900      -1.398000       1.642000    
 H   0.6645000       1.757600      -1.160900    
 H   -1.242200      -1.354100      -2.664000    
 H   0.3397000     -0.7173000      -2.241300    
 H   -1.126600      0.3012000      -2.130700    
 H    3.984300     -0.8974000       1.396200    
 H    3.056400       2.243500      -1.385500    
 H    4.729000      0.9240000     -0.1146000    
 H   -2.678200       3.148700      0.9549000    
 H   -2.762000       2.889900     -0.8221000    
 H   -4.157300       2.510100      0.2069000    


%chk=000040637-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040637

0 1
O -1.486565 0.835588 -0.255093
O -1.830748 1.123018 2.041929
O -2.170682 -2.485922 0.360186
N -0.806583 -1.304094 -1.009265
N -1.660407 -2.399632 -0.811252
C -0.567621 -0.311549 0.042661
C 0.878865 0.145977 0.111001
C 1.812160 -0.660155 0.809390
C 1.317130 1.337528 -0.515134
C -0.298450 -1.144521 -2.377825
C 3.171035 -0.282773 0.873706
C 2.676196 1.716762 -0.445919
C 3.607109 0.907239 0.245243
C -2.090131 1.450367 0.867770
C -3.073433 2.503462 0.411581
H -0.894956 -0.768852 0.997124
H 1.474100 -1.576150 1.309049
H 0.591214 1.967137 -1.040366
H -0.661903 -2.003879 -2.962499
H 0.804349 -1.125819 -2.388807
H -0.679197 -0.208928 -2.824390
H 3.884764 -0.908344 1.420685
H 3.007668 2.643604 -0.927055
H 4.660322 1.203887 0.300323
H -2.664483 3.085453 -0.430005
H -3.997975 2.011477 0.058786
H -3.322976 3.166719 1.252474


