%chk=000004713.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004713

0 1
 O  -0.7792000      0.6539000      0.5530000    
 O    4.513200      0.5650000      -1.139700    
 O   -2.701900      -2.525700      -1.117900    
 N    1.788500      0.5196000      -1.756100    
 C    1.354300     -0.4432000      0.4445000    
 C  -9.8800004E-02 -0.4976000      0.1872000    
 C   -2.854500     -0.3469000     -0.2160000    
 C   -2.134900      0.7046000      0.3490000    
 C    2.255600      5.0799999E-02 -0.5049000    
 C  -0.6779000      -1.572400     -0.3712000    
 C   -2.134800      -1.566400     -0.6137000    
 C    1.835700     -0.9007000       1.675800    
 C    3.621800      8.6999997E-02 -0.2261000    
 C   -4.234800     -0.2394000     -0.4009000    
 C   -2.793300       1.873000      0.7331000    
 C    3.201900     -0.8647000       1.954600    
 C    4.094900     -0.3708000       1.003600    
 C   -4.890900      0.9302000     -1.5300000E-02
 C   -4.172000       1.984200      0.5504000    
 C    4.807000       1.959300      -1.089300    
 H  -0.1195000      -2.457400     -0.6553000    
 H    1.154400      -1.288300       2.429900    
 H   -4.810900      -1.048900     -0.8399000    
 H   -2.241400       2.698500       1.174100    
 H    3.570400      -1.221000       2.912000    
 H    5.157900     -0.3466000       1.227900    
 H   -5.964200       1.020900     -0.1560000    
 H   -4.686900       2.892900      0.8487000    
 H    2.452200      0.8568000      -2.440900    
 H   0.8034000      0.5120000      -1.980700    
 H    5.291100       2.212700     -0.1409000    
 H    3.897800       2.555400      -1.216400    
 H    5.495100       2.193900      -1.906000    


%chk=000004713-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004713

0 1
O -1.082706 0.628475 0.811381
O 4.505999 0.428022 -1.368376
O -2.603566 -1.719167 -2.302421
N 2.014740 0.109244 -2.095383
C 1.198471 0.198825 0.267550
C -0.212723 -0.037529 -0.076448
C -3.038686 -0.276599 -0.398269
C -2.476728 0.491575 0.653354
C 2.227033 0.226445 -0.730888
C -0.718482 -0.826215 -1.096362
C -2.148837 -0.997714 -1.350475
C 1.548209 0.411272 1.636587
C 3.584987 0.420610 -0.298453
C -4.452261 -0.351609 -0.497132
C -3.280286 1.175902 1.590854
C 2.878529 0.603110 2.028114
C 3.912093 0.600646 1.052195
C -5.269445 0.323032 0.425943
C -4.679980 1.087216 1.470683
C 5.919349 0.616481 -1.042868
H -0.033716 -1.419285 -1.708258
H 0.748276 0.405629 2.381490
H -4.868020 -0.953248 -1.312221
H -2.803622 1.760041 2.383370
H 3.128620 0.747420 3.083417
H 4.951478 0.748137 1.360475
H -6.359566 0.262458 0.344409
H -5.317020 1.613716 2.189473
H 2.823470 0.206652 -2.706418
H 1.078167 0.113209 -2.489364
H 6.287269 -0.193245 -0.383649
H 6.090112 1.597684 -0.559093
H 6.448140 0.579510 -2.006617


