%chk=000004085.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004085

0 1
 O    1.157500      9.3000000E-03  -1.048500    
 O   0.2665000     -0.8179000      0.9842000    
 O    2.995800     -0.5945000       1.916800    
 O    4.384600       1.155200      0.2792000    
 O    2.682600      -2.510500      -1.161100    
 O   0.9054000       2.692800      -1.575100    
 O   -5.373000      8.7000001E-03 -0.6497000    
 O   -4.145100      -1.762200      -1.090700    
 N   -4.295000     -0.6280000     -0.5766000    
 C    3.316500     -0.9976000      0.5861000    
 C    3.454400      0.2465000     -0.2976000    
 C    2.214900      -1.913500      4.6900000E-02
 C    2.096800      0.9308000     -0.4869000    
 C   0.9161000      -1.146400     -0.2401000    
 C    2.192700       2.118700      -1.439800    
 C  -0.9230000     -0.1464000      0.8888000    
 C   -1.989900     -0.7265000      0.2112000    
 C   -1.053100       1.110100       1.470500    
 C   -3.201400     -4.1900001E-02  0.1140000    
 C   -2.264600       1.794600       1.373400    
 C   -3.338700       1.218700      0.6950000    
 H    4.274800      -1.528300      0.6284000    
 H    3.844500     -5.6899998E-02  -1.277400    
 H    2.019000      -2.712000      0.7725000    
 H    1.715600       1.302000      0.4713000    
 H   0.2685000      -1.804100     -0.8314000    
 H    2.512200       1.797900      -2.436400    
 H    2.884100       2.885400      -1.077700    
 H    3.695500      1.1900000E-02   2.214000    
 H    5.229400      0.6844000      0.3806000    
 H    1.997800      -3.129200      -1.467200    
 H   0.6248000       3.001000     -0.6965000    
 H   -1.871900      -1.718100     -0.2171000    
 H  -0.2217000       1.562000       2.003500    
 H   -2.371000       2.775900       1.826600    
 H   -4.267000       1.781600      0.6398000    


%chk=000004085-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004085

0 1
O 1.142194 -0.242270 -1.050635
O 0.330922 -0.488658 1.219596
O 3.319994 -0.038527 1.865636
O 4.497960 1.187611 -0.280965
O 2.697155 -2.835452 -0.376569
O 0.933454 2.589485 -2.078391
O -5.109929 0.810351 -1.211628
O -3.367725 -0.146374 -2.327239
N -3.906195 0.344805 -1.262486
C 3.447925 -0.824920 0.640969
C 3.509374 0.123920 -0.583184
C 2.256830 -1.798467 0.568381
C 2.153459 0.820067 -0.801462
C 0.948209 -1.145522 0.054825
C 2.128622 1.742418 -2.022645
C -1.004835 -0.060194 1.113265
C -1.754993 -0.063801 -0.084721
C -1.581799 0.391001 2.327626
C -3.097761 0.366261 -0.013483
C -2.921120 0.828212 2.351605
C -3.704054 0.817986 1.176562
H 4.370209 -1.443052 0.668526
H 3.786884 -0.448459 -1.489293
H 2.070757 -2.210059 1.579526
H 1.878773 1.372486 0.120746
H 0.254383 -1.913562 -0.343162
H 2.081784 1.135452 -2.941998
H 3.056855 2.348652 -2.024628
H 3.926198 0.743611 1.750241
H 5.403393 0.884212 -0.540890
H 2.042108 -3.577209 -0.395876
H 0.945110 3.218865 -1.313126
H -1.329519 -0.340105 -1.051592
H -0.964981 0.385656 3.231200
H -3.359288 1.173062 3.293440
H -4.745756 1.146017 1.164829


