%chk=000005648.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005648

1 1
 O  -0.6141000      0.5469000      0.2088000    
 O   0.3456000       1.206600      -1.772900    
 N   -4.295600      0.2062000     -5.2900001E-02
 C   -2.963700      0.1958000      0.6030000    
 C   -5.391900     -0.2190000      0.9333000    
 C   -4.323300     -0.7610000      -1.244000    
 C   -4.637000       1.610400     -0.5699000    
 C   -1.905000      0.5903000     -0.4078000    
 C    2.836500       1.767800     -0.2538000    
 C    1.753400      0.7270000      0.1759000    
 C   -5.438100      0.7652000       2.081700    
 C   -3.989500      -2.155600     -0.7612000    
 C    3.710600       2.197300      0.9465000    
 C   0.4391000      0.8824000     -0.5958000    
 C    2.241600     -0.7167000      0.2161000    
 C    3.692900       1.312000      -1.441500    
 C    4.650700       3.353700      0.6314000    
 C    2.987000      -1.170800       1.304300    
 C    1.942800      -1.583800     -0.8350000    
 C    3.433600      -2.491600       1.341300    
 C    2.389400      -2.904700     -0.7978000    
 C    3.134800      -3.358500      0.2904000    
 H   -2.763200     -0.7690000       1.079600    
 H   -2.943600      0.9425000       1.404200    
 H   -6.346000     -0.2565000      0.3963000    
 H   -5.152100      -1.204900       1.337700    
 H   -3.656900     -0.4109000      -2.036200    
 H   -5.341700     -0.7379000      -1.651500    
 H   -5.712300       1.657700     -0.7692000    
 H   -4.340100       2.358400      0.1703000    
 H   -4.100700       1.786500      -1.507200    
 H   -2.056300       1.608700     -0.7789000    
 H   -1.855100     -0.1012000      -1.251500    
 H    2.299700       2.669900     -0.5809000    
 H    1.470500      0.9917000       1.207300    
 H   -4.535500      0.7583000       2.697800    
 H   -5.660400       1.790900       1.778100    
 H   -6.253800      0.4710000       2.753600    
 H   -2.983500      -2.254500     -0.3474000    
 H   -4.715200      -2.575000     -6.1700001E-02
 H   -4.011700      -2.825700      -1.630000    
 H    4.314700       1.356100       1.301600    
 H    3.063300       2.503200       1.777200    
 H    4.272900       2.145800      -1.849900    
 H    3.067400      0.9352000      -2.257000    
 H    4.398400      0.5253000      -1.155200    
 H    5.425600       3.060500     -8.2599998E-02
 H    4.102000       4.207100      0.2211000    
 H    5.155500       3.684300       1.545100    
 H    3.214300     -0.5149000       2.139500    
 H    1.377900      -1.260600      -1.703800    
 H    4.010800      -2.846300       2.190200    
 H    2.159700      -3.579400      -1.617500    
 H    3.482400      -4.387100      0.3193000    


%chk=000005648-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005648

1 1
O -0.667797 0.609910 0.107112
O 0.426835 0.526699 -1.939489
N -4.433698 0.302955 -0.064968
C -2.978903 0.388534 0.438376
C -5.372995 0.016611 1.143692
C -4.614668 -0.835789 -1.114564
C -4.843107 1.613849 -0.734811
C -1.925383 0.546533 -0.666351
C 2.728010 1.758305 -0.183456
C 1.752243 0.563696 0.186324
C -5.447149 1.123316 2.201757
C -4.210024 -2.237442 -0.647544
C 3.745513 1.952953 0.975427
C 0.520464 0.565542 -0.696373
C 2.407569 -0.828937 0.182245
C 3.424149 1.600365 -1.552749
C 4.607018 3.227194 0.838273
C 2.824505 -1.391668 1.416228
C 2.627583 -1.561733 -1.013264
C 3.463315 -2.651026 1.457095
C 3.262006 -2.823538 -0.971309
C 3.684542 -3.371974 0.261312
H -2.773846 -0.525780 1.017538
H -2.923988 1.249526 1.122910
H -6.368874 -0.171181 0.704683
H -5.009627 -0.921117 1.593421
H -4.026195 -0.534657 -1.997209
H -5.682204 -0.805474 -1.395581
H -5.928085 1.595913 -0.921077
H -4.590559 2.458956 -0.079350
H -4.310176 1.717486 -1.691010
H -2.041737 1.472997 -1.257647
H -1.882546 -0.310086 -1.362499
H 2.091370 2.670046 -0.221433
H 1.394710 0.760605 1.213729
H -4.481736 1.317139 2.697466
H -5.851993 2.071279 1.811742
H -6.142674 0.779929 2.987950
H -3.143929 -2.310828 -0.375584
H -4.822508 -2.613289 0.187966
H -4.370177 -2.927527 -1.494778
H 4.403284 1.064014 1.032707
H 3.192063 1.999890 1.936604
H 3.972604 2.523692 -1.807008
H 2.697355 1.409831 -2.360508
H 4.152556 0.770191 -1.534790
H 5.273457 3.180677 -0.040569
H 3.976192 4.130997 0.738844
H 5.245983 3.360743 1.729565
H 2.655616 -0.839344 2.348744
H 2.304795 -1.148788 -1.974936
H 3.787151 -3.066625 2.417511
H 3.430393 -3.376184 -1.902125
H 4.180097 -4.348287 0.290264


