%chk=000028914.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028914

0 1
 O   -4.368300      -1.547600      0.8754000    
 O    1.921600       1.468100      0.8568000    
 O   -1.622500       1.467500      -1.913500    
 O  -2.2299999E-02   2.667700      0.9138000    
 N   -2.414100      0.2325000     -0.1119000    
 C   -3.810600      0.3407000     -0.5384000    
 C   -2.249900     -0.4125000       1.197800    
 C   -4.496000      -1.016000     -0.4461000    
 C   -2.994300      -1.741600       1.222800    
 C   -1.419400      0.8331000     -0.8764000    
 C  -2.2100000E-02  0.7076000     -0.4175000    
 C   0.6567000     -0.3523000     -0.8720000    
 C    2.040300     -0.5623000     -0.4750000    
 C    2.641200      0.3544000      0.3817000    
 C   0.5968000       1.695700      0.4944000    
 C    2.786900      -1.654000     -0.9252000    
 C    3.962500      0.2109000      0.8002000    
 C    4.113700      -1.811200     -0.5140000    
 C    4.699800     -0.8807000      0.3468000    
 H   -3.885500      0.7353000      -1.556000    
 H   -4.290400       1.055900      0.1402000    
 H   -2.675900      0.2755000       1.937500    
 H   -1.196900     -0.5628000       1.444900    
 H   -5.563200     -0.9141000     -0.6658000    
 H   -4.071300      -1.728100      -1.163700    
 H   -2.545400      -2.463800      0.5306000    
 H   -2.959500      -2.173000       2.227900    
 H   0.2027000      -1.077800      -1.540200    
 H    2.349600      -2.389900      -1.595400    
 H    4.416700      0.9352000       1.469300    
 H    4.691400      -2.661400     -0.8657000    
 H    5.731100      -1.008800      0.6625000    


%chk=000028914-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028914

0 1
O -4.812851 -1.072588 1.070298
O 1.777617 0.931734 1.161680
O -1.526864 0.408376 -2.232291
O -0.327793 1.825195 1.386948
N -2.492263 0.144728 -0.128032
C -3.847931 0.426124 -0.655896
C -2.464835 -0.252123 1.295524
C -4.788034 -0.757681 -0.370362
C -3.459020 -1.411863 1.529694
C -1.400896 0.254337 -0.970889
C -0.006865 0.167262 -0.382353
C 0.939489 -0.580135 -1.061561
C 2.319111 -0.636922 -0.647020
C 2.706834 0.134726 0.489027
C 0.383175 1.025105 0.749128
C 3.312193 -1.418665 -1.305910
C 4.032553 0.132639 0.969848
C 4.635364 -1.427781 -0.837228
C 4.992190 -0.652507 0.301734
H -3.757400 0.613898 -1.738652
H -4.236134 1.336165 -0.157290
H -2.727831 0.617029 1.926324
H -1.453398 -0.584984 1.578193
H -5.828068 -0.508027 -0.635291
H -4.461288 -1.650998 -0.945126
H -3.102066 -2.324840 1.003307
H -3.555578 -1.622550 2.607504
H 0.619835 -1.132196 -1.953011
H 3.026722 -2.010561 -2.183009
H 4.286423 0.740061 1.842997
H 5.395322 -2.028665 -1.346122
H 6.025689 -0.662090 0.663637


