%chk=000003847.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003847

0 1
 O    2.849600      -1.730800      0.6924000    
 O    3.090000     -0.9745000      -1.431300    
 O   -2.337900      -1.635300      0.6117000    
 O   -4.026800     -0.9730000     -0.7549000    
 N    2.927300       1.628200     -0.6797000    
 C    1.365200      0.7780000       1.074900    
 C   0.1424000      0.6324000      0.1556000    
 C    2.723700      0.6314000      0.3709000    
 C   -1.189700      0.8420000      0.8917000    
 C   -2.411300      0.6288000      3.4600001E-02
 C    2.906600     -0.7456000     -0.2426000    
 C   -3.028600     -0.7148000     -0.1000000    
 C   -3.010300       1.633100     -0.6232000    
 H    1.289500      3.4800000E-02   1.878700    
 H    1.325300       1.761300       1.561700    
 H   0.2082000       1.354500     -0.6673000    
 H   0.1487000     -0.3656000     -0.2992000    
 H    3.523000      0.7618000       1.110600    
 H   -1.205000       1.866200       1.289300    
 H   -1.232700      0.1985000       1.778800    
 H    3.884400       1.570800      -1.026300    
 H    2.822000       2.563100     -0.2875000    
 H   -2.618100       2.643800     -0.5649000    
 H   -3.894500       1.491300      -1.235400    
 H    2.968900      -2.619300      0.2943000    
 H   -2.732600      -2.530200      0.5364000    


%chk=000003847-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003847

0 1
O 3.111137 -1.611503 1.126512
O 2.827968 -1.234468 -1.148424
O -2.009555 -1.672859 0.122156
O -3.756291 -0.939052 -1.215224
N 2.913179 1.631100 -0.673830
C 1.341090 0.882964 1.125601
C 0.133927 0.677785 0.184751
C 2.727239 0.692528 0.438036
C -1.207006 0.856900 0.949438
C -2.429398 0.700632 0.061614
C 2.890598 -0.782258 0.015854
C -2.821526 -0.661486 -0.425884
C -3.212658 1.742676 -0.335364
H 1.272847 0.184838 1.982167
H 1.328615 1.914274 1.525751
H 0.172273 1.411343 -0.643583
H 0.159085 -0.333408 -0.262562
H 3.498875 0.893912 1.203515
H -1.227501 1.862947 1.410860
H -1.244310 0.114315 1.769042
H 2.335471 1.405997 -1.491214
H 3.893329 1.758434 -0.944972
H -2.999288 2.767743 -0.013114
H -4.076871 1.577113 -0.988049
H 3.184131 -2.558505 0.826305
H -2.318057 -2.551059 -0.230080


