%chk=000065086.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065086

0 1
 O    2.071500      0.6591000      0.7330000    
 O    1.217000      -2.385600     -0.9686000    
 O    3.699100      -1.697900     -0.1347000    
 O   0.6561000     -0.5575000       2.818100    
 O    3.049700       2.988800     -0.5050000    
 N  -0.2612000      0.3185000      0.3367000    
 N   -1.777000       1.942900      0.3578000    
 N   -1.661000      -1.564200     -0.2873000    
 N   -3.980300     -0.8705000     -0.5967000    
 N   -4.693700       1.394900     -0.3039000    
 C    1.059500     -0.3482000      0.4606000    
 C    1.495500      -1.002500     -0.8674000    
 C    2.989500     -0.7468000     -0.9248000    
 C    3.114900      0.6098000     -0.2593000    
 C    1.064000      -1.289000       1.674900    
 C    2.924800       1.773000      -1.224100    
 C   -1.440100     -0.2726000      9.9999997E-05
 C  -0.5078000       1.645200      0.5430000    
 C   -2.371200      0.7535000      1.7899999E-02
 C   -3.684200      0.4169000     -0.2961000    
 C   -2.965200      -1.767800     -0.5740000    
 H    1.013000     -0.4971000      -1.713800    
 H    3.401600     -0.7848000      -1.937500    
 H    4.063700      0.7242000      0.2769000    
 H    2.060700      -1.689900       1.880800    
 H   0.3735000      -2.128400       1.551000    
 H    1.930700       1.761800      -1.681500    
 H    3.683800       1.753100      -2.012200    
 H    1.578300      -2.696100      -1.816300    
 H   0.2551000       2.356800      0.8273000    
 H    3.514100      -2.577500     -0.5057000    
 H    1.281200      0.1785000       2.933800    
 H    2.927000       3.712600      -1.142600    
 H   -3.238100      -2.788400     -0.8198000    
 H   -4.475100       2.356500     -8.0700003E-02
 H   -5.640100       1.125700     -0.5361000    


%chk=000065086-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000065086

0 1
O 1.910362 1.040986 0.357086
O 0.976794 -2.236993 -1.028160
O 3.533339 -1.819027 -0.450222
O 1.079422 -0.066111 2.783849
O 4.146957 2.812868 -0.265768
N -0.387195 0.450038 0.274493
N -2.196540 1.806116 0.660870
N -1.574309 -1.546643 -0.639714
N -3.998933 -1.213767 -0.731559
N -5.048699 0.778803 -0.022375
C 0.982055 -0.100508 0.324899
C 1.331794 -0.839360 -1.000979
C 2.871793 -0.691045 -1.097543
C 3.191840 0.611624 -0.320981
C 1.177016 -0.939496 1.616122
C 3.689325 1.764550 -1.182988
C -1.510023 -0.277391 -0.121145
C -0.857940 1.684902 0.749752
C -2.616778 0.577110 0.120039
C -3.903869 0.059229 -0.208208
C -2.858713 -1.933533 -0.915799
H 0.855610 -0.272462 -1.828559
H 3.184236 -0.632368 -2.159175
H 3.938264 0.388719 0.462593
H 2.157569 -1.450130 1.558510
H 0.379865 -1.689930 1.728826
H 2.871660 2.123774 -1.843009
H 4.529017 1.393103 -1.810111
H -0.054933 -2.258714 -0.942769
H -0.174412 2.441360 1.122093
H 2.935872 -2.605457 -0.605065
H 1.723755 0.678131 2.643191
H 4.371473 3.629893 -0.776633
H -2.983837 -2.936850 -1.332070
H -4.998997 1.716930 0.370572
H -5.943540 0.358652 -0.266264


