%chk=000026596.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026596

0 1
 O    5.449400       1.023500     -7.4299999E-02
 O    4.499300     -0.9825000     -0.6155000    
 N   0.8900000       1.088600      0.5755000    
 N    1.559400     -0.8918000     -0.1793000    
 N    3.215100      0.8243000      0.1668000    
 C   -3.951600     -0.1930000      0.8137000    
 C   -4.696500      0.3437000     -0.4168000    
 C   -2.502600     -0.4282000      0.5373000    
 C  -0.2482000      0.3298000      0.4791000    
 C   -6.168900      0.6179000     -0.1114000    
 C   -1.587300      0.6066000      0.7569000    
 C   0.1959000     -0.9017000      5.7999999E-03
 C   -2.087200      -1.674700      6.3000001E-02
 C  -0.7373000      -1.930000     -0.2090000    
 C    1.942500      0.3153000      0.1715000    
 C   -6.892600       1.187300      -1.321200    
 C    4.387300      0.1693000     -0.2141000    
 C    6.733300      0.4957000     -0.4281000    
 H   -4.421100      -1.124800       1.155000    
 H   -4.057400      0.5115000       1.649000    
 H   -4.620300     -0.3771000      -1.240800    
 H   -4.218000       1.268800     -0.7632000    
 H   -6.662300     -0.3095000      0.2018000    
 H   -6.250700       1.326400      0.7210000    
 H   -1.896600       1.579800       1.122700    
 H   -2.812400      -2.467900     -0.1046000    
 H  -0.4246000      -2.901600     -0.5778000    
 H   0.9419000       2.048400      0.8895000    
 H   -6.855500      0.4901000      -2.164300    
 H   -6.443100       2.134000      -1.637700    
 H   -7.943800       1.374100      -1.080600    
 H    3.314500       1.788000      0.4758000    
 H    6.979800     -0.3587000      0.2094000    
 H    7.478300       1.279700     -0.2682000    
 H    6.746400      0.2087000      -1.483900    


%chk=000026596-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026596

0 1
O 5.504928 0.600352 -0.173065
O 3.625558 1.270287 1.081239
N 1.254715 0.123519 0.256974
N 1.466792 -1.303247 -1.530946
N 3.471993 -0.238105 -0.720032
C -3.805192 -0.516215 0.657291
C -4.628961 0.508197 -0.172198
C -2.420976 -0.771451 0.076663
C -0.042193 -0.351532 -0.007222
C -6.034974 0.764052 0.415670
C -1.286936 -0.107972 0.603864
C 0.109620 -1.241227 -1.126723
C -2.271034 -1.658143 -1.036409
C -1.024498 -1.903726 -1.645965
C 2.092623 -0.478132 -0.678460
C -6.853177 1.780301 -0.409821
C 4.148247 0.602296 0.144980
C 6.351034 1.468951 0.676181
H -4.375974 -1.465195 0.709198
H -3.719373 -0.140531 1.696212
H -4.723585 0.141794 -1.214475
H -4.068605 1.463296 -0.229143
H -6.586113 -0.197072 0.474836
H -5.933883 1.128168 1.458881
H -1.388905 0.568572 1.460075
H -3.163167 -2.167949 -1.420485
H -0.924858 -2.588988 -2.492976
H 1.591216 0.776666 0.969730
H -6.996733 1.423950 -1.447323
H -6.336276 2.757167 -0.460552
H -7.852961 1.949258 0.031032
H 3.993337 -0.732983 -1.446515
H 6.069196 2.526335 0.539328
H 7.375823 1.285633 0.325310
H 6.238394 1.193672 1.737846


