%chk=000003774.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003774

0 1
 O    2.783800       1.398200     -0.1658000    
 O    3.514500     -0.3651000      -1.433400    
 N   -2.618500      0.5805000      0.2640000    
 C   0.7029000      0.5552000      0.5107000    
 C    1.532200     -0.5962000     -4.7499999E-02
 C  -0.3024000       1.067300     -0.5246000    
 C    1.755700       1.604300      0.8092000    
 C    2.010000      -1.562000       1.027800    
 C    2.713800      0.1213000     -0.6492000    
 C   -1.570000      0.2523000     -0.5288000    
 C   0.8548000      -2.334600       1.642400    
 C   -1.870300     -0.8554000      -1.256000    
 C   -3.624200     -0.3264000      5.3199999E-02
 C   -3.185600      -1.231800     -0.8877000    
 C   -2.696700       1.692500       1.185700    
 H   0.1679000      0.3116000       1.433200    
 H    1.009600      -1.137200     -0.8424000    
 H   0.1314000       1.057400      -1.533600    
 H  -0.5502000       2.117800     -0.3299000    
 H    1.385500       2.631100      0.7369000    
 H    2.199500       1.468000       1.801600    
 H    2.562700      -1.038700       1.817600    
 H    2.715500      -2.276900      0.5857000    
 H   0.1914000      -1.693600       2.228800    
 H   0.2600000      -2.835300      0.8717000    
 H    1.241500      -3.104700       2.318300    
 H   -1.233200      -1.350300      -1.975400    
 H   -4.564800     -0.2578000      0.5834000    
 H   -3.752400      -2.070400      -1.267000    
 H   -3.625700       1.625400       1.758200    
 H   -1.846600       1.647200       1.870000    
 H   -2.687600       2.620700      0.6092000    


%chk=000003774-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000003774

0 1
O 2.988990 1.193291 -0.525122
O 3.408938 -0.888653 -1.464727
N -2.526135 0.351444 0.351702
C 0.810551 0.785953 0.478565
C 1.428318 -0.567957 0.037930
C -0.303055 1.290417 -0.497662
C 2.031477 1.745170 0.475870
C 1.790718 -1.540749 1.198298
C 2.691836 -0.176519 -0.744756
C -1.496938 0.380048 -0.607892
C 0.541545 -2.155147 1.864261
C -1.807460 -0.588104 -1.578514
C -3.469889 -0.616514 -0.013434
C -3.046347 -1.215238 -1.205182
C -2.663590 1.260777 1.494034
H 0.390756 0.711727 1.498130
H 0.748595 -1.106459 -0.648425
H 0.139865 1.407548 -1.504929
H -0.611482 2.305942 -0.174249
H 1.786128 2.768788 0.147818
H 2.550141 1.781924 1.450894
H 2.404829 -1.010972 1.954600
H 2.424745 -2.347244 0.783603
H -0.110883 -1.380697 2.309250
H -0.064901 -2.712061 1.126970
H 0.830299 -2.854091 2.669988
H -1.208029 -0.802317 -2.463335
H -4.357953 -0.789983 0.592028
H -3.568481 -2.005526 -1.741769
H -3.537711 0.957962 2.092205
H -1.773643 1.226902 2.147678
H -2.816733 2.304738 1.162475


