%chk=000057565.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057565

0 1
 O    1.241200     -0.1130000     -0.2485000    
 O  -2.0199999E-02   1.769300      0.1859000    
 N   -3.487100     -0.7045000      0.2597000    
 C    3.606600     -0.1811000     -0.5547000    
 C    3.933300      -1.286700      0.4008000    
 C    4.811200     -7.1800001E-02  0.3281000    
 C    2.427500      0.6873000     -0.2796000    
 C   -4.765900     -5.2600000E-02  0.5036000    
 C   -4.357600     -0.4609000     -0.8818000    
 C   -2.400500      0.2665000      0.2928000    
 C   -1.068900     -0.4175000     -2.7000001E-03
 C   8.0499999E-02  0.5650000     -3.5999999E-03
 H    3.748700     -0.3772000      -1.609700    
 H    4.318500      -2.211900     -1.0200000E-02
 H    3.322400      -1.411400       1.286600    
 H    4.791200      0.6134000       1.166400    
 H    5.785200     -0.1810000     -0.1335000    
 H   -4.774800       1.001600      0.7487000    
 H   -5.509300     -0.6539000       1.009900    
 H   -4.825800      -1.339500      -1.306800    
 H   -4.106800      0.3112000      -1.597000    
 H    2.338500       1.439200      -1.072300    
 H    2.530900       1.204000      0.6823000    
 H   -2.343800      0.7010000       1.300600    
 H   -2.534200       1.117500     -0.3902000    
 H   -1.104400     -0.8926000     -0.9902000    
 H  -0.8648000      -1.182800      0.7554000    


%chk=000057565-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057565

0 1
O 1.169955 -0.107168 -0.148808
O 0.066951 1.708560 0.809535
N -3.635087 -0.527088 0.405586
C 3.553822 -0.238196 -0.571989
C 4.187193 -1.313091 0.321395
C 4.986332 -0.052052 -0.038175
C 2.462800 0.646627 -0.028101
C -4.993365 0.071485 0.145291
C -4.284508 -0.718722 -0.945572
C -2.501912 0.438253 0.445166
C -1.195822 -0.323777 0.168969
C 0.033323 0.553645 0.320904
H 3.452597 -0.479904 -1.635231
H 4.474365 -2.260773 -0.141840
H 3.809874 -1.408576 1.344050
H 5.150162 0.692699 0.747333
H 5.812856 -0.141812 -0.748084
H -5.063194 1.159988 0.009173
H -5.820068 -0.378942 0.702987
H -4.596387 -1.741702 -1.177314
H -3.886123 -0.147900 -1.796980
H 2.359520 1.589536 -0.596031
H 2.621583 0.900716 1.036655
H -2.466051 0.882819 1.455238
H -2.615802 1.277653 -0.282528
H -1.197369 -0.775018 -0.840205
H -1.114046 -1.169659 0.878576


