%chk=000056279.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056279

0 1
 O    2.630300     -0.9713000     -0.5036000    
 O   -1.008200      0.6795000      0.8430000    
 O    1.249900       2.087000      0.7671000    
 N    2.520600      0.3617000     -6.4599998E-02
 C    3.777000       1.085100     -0.1336000    
 C    1.346200      0.9200000      0.3827000    
 C   0.1418000     -5.2000000E-03  0.3883000    
 C    3.950500       1.769100      -1.473900    
 C    2.959700      -1.800100      0.6073000    
 C   -2.220300      0.2665000      0.3448000    
 C    3.077700      -3.233600      0.1352000    
 C   -2.394100      -1.061800     -1.9600000E-02
 C   -3.253600       1.184200      0.2119000    
 C   -3.624300      -1.480200     -0.5265000    
 C   -4.483900      0.7657000     -0.2948000    
 C   -4.669300     -0.5666000     -0.6639000    
 H    3.786300       1.847100      0.6537000    
 H    4.612400      0.4026000      4.9800001E-02
 H   2.5800001E-02 -0.3630000     -0.6431000    
 H   0.3275000     -0.8428000       1.063500    
 H    3.950800       1.038500      -2.289600    
 H    3.138400       2.478900      -1.663600    
 H    4.897400       2.316900      -1.504400    
 H    3.919100      -1.491800       1.037300    
 H    2.201100      -1.736800       1.392000    
 H    3.341300      -3.898000      0.9629000    
 H    2.133100      -3.573100     -0.3028000    
 H    3.840700      -3.321500     -0.6452000    
 H   -1.615300      -1.808900      9.7900003E-02
 H   -3.112400       2.222400      0.4981000    
 H   -3.771300      -2.518800     -0.8082000    
 H   -5.297600       1.477100     -0.4016000    
 H   -5.627800     -0.8928000      -1.057000    


%chk=000056279-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056279

0 1
O 2.617283 -0.865415 -0.334527
O -1.033897 0.981692 0.234889
O 1.292689 2.394282 0.405619
N 2.608898 0.497996 0.198432
C 3.891787 1.221630 0.078302
C 1.371810 1.152927 0.201490
C 0.174229 0.222077 -0.048594
C 4.280546 1.522405 -1.383259
C 2.956596 -1.839636 0.751049
C -2.261566 0.327296 0.030797
C 2.937309 -3.218979 0.096004
C -2.401310 -1.008113 -0.424826
C -3.407690 1.109533 0.320626
C -3.699110 -1.550129 -0.584797
C -4.690753 0.554100 0.156118
C -4.846296 -0.780218 -0.297361
H 3.759412 2.157137 0.648228
H 4.671298 0.619932 0.580787
H 0.196854 -0.120832 -1.103548
H 0.237795 -0.675120 0.599384
H 4.352836 0.590053 -1.969467
H 3.531128 2.181505 -1.854408
H 5.259398 2.034055 -1.417134
H 3.956383 -1.593090 1.158087
H 2.208652 -1.748430 1.562567
H 3.185828 -3.992642 0.844532
H 1.940148 -3.445905 -0.318904
H 3.676073 -3.276250 -0.721531
H -1.528102 -1.625559 -0.656806
H -3.263400 2.136977 0.668101
H -3.806240 -2.582237 -0.937949
H -5.573027 1.163472 0.381752
H -5.846062 -1.208516 -0.424154


