%chk=000017592.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017592

0 1
 O    1.598700     -1.2000001E-03 -0.9648000    
 O    2.171200      3.0000000E-03   1.288800    
 N    3.810000     -7.9999998E-04 -0.3533000    
 C   -2.403900      3.0000001E-04  0.1346000    
 C   -1.731100       1.208000     -5.0600000E-02
 C   -1.731600      -1.208100     -4.9400002E-02
 C  -0.3861000       1.207400     -0.4199000    
 C  -0.3864000      -1.208700     -0.4186000    
 C   0.2864000     -7.9999998E-04 -0.6039000    
 C   -3.846100      8.9999998E-04  0.5314000    
 C   -2.427700       2.515300      0.1411000    
 C   -2.429100      -2.514900      0.1426000    
 C    2.510000     -3.0000001E-04  0.1090000    
 C    4.965600     -9.9999997E-05  0.5133000    
 H   0.1477000       2.143400     -0.5662000    
 H   0.1470000      -2.145000     -0.5640000    
 H   -4.110900     -0.8655000       1.145100    
 H   -4.109500      0.8665000       1.146700    
 H   -4.479100      2.0999999E-03 -0.3619000    
 H   -2.649900       2.680600       1.200300    
 H   -1.808700       3.354100     -0.1969000    
 H   -3.354200       2.556200     -0.4414000    
 H   -1.810200      -3.354300     -0.1942000    
 H   -2.652400      -2.679300       1.201600    
 H   -3.354900      -2.555600     -0.4408000    
 H    3.962800     -1.1000000E-03  -1.357000    
 H    5.565600     -0.8837000      0.2822000    
 H    4.674800     -1.4000000E-02   1.566300    
 H    5.549900      0.8986000      0.3016000    


%chk=000017592-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017592

0 1
O 1.665420 -0.000457 -0.839572
O 2.395135 0.001524 1.427622
N 3.886055 -0.001120 -0.396087
C -2.472450 0.000189 0.145535
C -1.771784 1.235069 -0.012012
C -1.772060 -1.234909 -0.011469
C -0.388440 1.223870 -0.313719
C -0.388687 -1.224064 -0.313158
C 0.284152 -0.000198 -0.456534
C -3.961999 0.000667 0.453962
C -2.483708 2.570321 0.137097
C -2.484076 -2.570076 0.138177
C 2.647079 0.000450 0.201845
C 5.126000 0.000010 0.382509
H 0.164322 2.161095 -0.436009
H 0.163909 -2.161441 -0.435041
H -4.260702 -0.890444 1.031111
H -4.259137 0.889675 1.035226
H -4.566237 0.003428 -0.475938
H -2.859968 2.719169 1.167851
H -1.803231 3.407785 -0.091346
H -3.355921 2.649329 -0.538697
H -1.803498 -3.407653 -0.089548
H -2.860664 -2.718364 1.168886
H -3.356018 -2.649511 -0.537907
H 3.911676 -0.001791 -1.415842
H 5.737067 -0.896272 0.167438
H 4.855317 -0.006467 1.450278
H 5.730346 0.903183 0.177042


