%chk=000004634.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004634

0 1
 O   -3.572600     -0.3106000       1.164300    
 O  -0.1076000      0.6048000       1.356900    
 O   -1.670600      0.1163000       2.978600    
 N    4.727900      0.1795000     -0.4583000    
 C   -1.823000      -1.297600     -0.1049000    
 C   -2.798000      -1.656000      -1.234400    
 C   -1.678400      -2.463400      0.8826000    
 C   -2.277300     -3.1199999E-02  0.6184000    
 C   -2.394100      -2.949200      -1.938700    
 C   -1.276100      -3.755200      0.1747000    
 C   -2.242800      -4.103500     -0.9529000    
 C   -2.426300       1.224400     -0.2360000    
 C   -1.343200      0.2276000       1.803200    
 C   -3.436100       2.113400      6.2300000E-02
 C   -1.546300       1.426300      -1.276900    
 C   -3.572400       3.260900     -0.7190000    
 C   -1.682400       2.573800      -2.058000    
 C   -2.695400       3.491000      -1.779200    
 C   0.8580000      0.8850000       2.375100    
 C    2.199100      0.5755000       1.881100    
 C    4.648400      1.3500000E-02  0.9874000    
 C    3.782400     -0.7120000      -1.133000    
 C    6.090000     -7.3299997E-02 -0.9327000    
 C    3.301400      0.3228000       1.476300    
 C    3.855200     -0.5490000      -2.641800    
 C    7.080300      0.8863000     -0.2950000    
 H  -0.8292000      -1.149700     -0.5480000    
 H   -2.855400     -0.8642000      -1.987700    
 H   -3.813900      -1.796600     -0.8463000    
 H   -2.620000      -2.638600       1.417900    
 H  -0.9147000      -2.252600       1.639300    
 H   -3.144200      -3.207600      -2.694900    
 H   -1.446400      -2.794800      -2.469200    
 H  -0.2632000      -3.648100     -0.2328000    
 H   -1.243200      -4.577600      0.8983000    
 H   -3.223400      -4.352200     -0.5289000    
 H   -1.887600      -4.995500      -1.481000    
 H   -4.250000     -0.2199000      0.4732000    
 H   -4.118800       1.981400      0.8954000    
 H  -0.7363000      0.7449000      -1.510100    
 H   -4.356800       3.978900     -0.4981000    
 H  -0.9968000       2.755700      -2.880500    
 H   -2.799900       4.385800      -2.385900    
 H   0.7840000       1.947800       2.627900    
 H   0.6709000      0.2983000       3.281600    
 H    4.930300      -1.002800       1.291100    
 H    5.319100      0.7048000       1.508100    
 H    2.751300     -0.4730000     -0.8492000    
 H    3.957100      -1.763900     -0.8722000    
 H    6.169300      0.1093000      -2.009000    
 H    6.403600      -1.108500     -0.7483000    
 H    3.837000      0.5049000      -2.939900    
 H    4.737400      -1.030400      -3.074900    
 H    2.984600      -1.030300      -3.102100    
 H    6.729800       1.923200     -0.3414000    
 H    7.300800      0.6306000      0.7458000    
 H    8.033600      0.8408000     -0.8340000    


%chk=000004634-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004634

0 1
O -2.860634 -0.554176 1.665444
O -0.155158 1.531825 0.447077
O -0.871543 1.020928 2.612402
N 4.873413 -0.674911 -0.155525
C -1.576991 -0.756550 -0.462825
C -2.697947 -1.523763 -1.213115
C -0.562979 -1.755150 0.154088
C -2.161975 0.213985 0.621872
C -2.106760 -2.456258 -2.298257
C 0.022713 -2.701071 -0.921686
C -1.090710 -3.450572 -1.689909
C -3.094979 1.312994 0.053053
C -1.017640 0.932828 1.381929
C -4.171535 1.773354 0.853626
C -2.885282 1.905926 -1.217783
C -5.035844 2.786983 0.383187
C -3.750525 2.917522 -1.688449
C -4.832721 3.359986 -0.892447
C 1.024370 2.267848 1.018519
C 2.211487 1.412504 1.065213
C 4.393202 -0.184997 1.169224
C 3.823006 -1.469850 -0.854233
C 6.155651 -1.418027 -0.010816
C 3.212877 0.692365 1.086020
C 4.106012 -1.664847 -2.354968
C 7.345999 -0.521376 0.380920
H -1.027928 -0.135617 -1.197147
H -3.416533 -0.817711 -1.670249
H -3.265174 -2.153120 -0.492962
H -1.072556 -2.344913 0.941083
H 0.261289 -1.205621 0.649163
H -2.923016 -3.002508 -2.809356
H -1.599486 -1.841284 -3.070414
H 0.624001 -2.107443 -1.642485
H 0.714992 -3.423607 -0.447132
H -1.620988 -4.130814 -0.991735
H -0.650936 -4.083848 -2.484787
H -3.650420 -0.973974 1.236838
H -4.311924 1.340720 1.849547
H -2.039834 1.592393 -1.838146
H -5.861764 3.132425 1.015287
H -3.577640 3.362739 -2.674823
H -5.502503 4.145994 -1.258979
H 1.161069 3.118712 0.331237
H 0.753992 2.628918 2.027993
H 4.151837 -1.035491 1.861820
H 5.212678 0.384038 1.645832
H 2.874640 -0.912705 -0.746308
H 3.670459 -2.466228 -0.361563
H 6.377973 -1.878159 -0.989143
H 6.056520 -2.259670 0.725252
H 4.271067 -0.686071 -2.838041
H 4.991751 -2.297538 -2.544322
H 3.241614 -2.156361 -2.839178
H 7.419174 0.333703 -0.313574
H 7.263691 -0.125921 1.409465
H 8.287546 -1.098343 0.328568


