%chk=000060401.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060401

1 1
 O   -2.408000       1.404800     -5.7100002E-02
 O    3.079700      0.8906000     -0.1067000    
 O    5.860400      0.4150000     -0.2481000    
 O    6.837900      -2.027000      0.6290000    
 N   -5.273100     -0.9778000      0.1429000    
 C   -4.485700      0.2970000      0.4092000    
 C   -4.461300      -2.180700      0.6015000    
 C   -6.587600     -0.9311000      0.9085000    
 C   -5.557900      -1.096500      -1.347300    
 C   -3.164000      0.2326000     -0.3304000    
 C   -1.043500       1.277100     -6.9499999E-02
 C    4.966300     -0.5677000      0.2795000    
 C  -0.4489000      0.3300000     -0.8951000    
 C  -0.2685000       2.095900      0.7438000    
 C    3.607600     -0.4038000     -0.3919000    
 C    1.724400       1.017700     -9.4499998E-02
 C   0.9399000      0.1999000     -0.9076000    
 C    1.120200       1.965800      0.7311000    
 C    5.562100      -1.941900      2.9000000E-03
 H   -5.087800       1.152700      8.0700003E-02
 H   -4.332600      0.3888000       1.491300    
 H   -4.078800      -1.987000       1.608100    
 H   -5.128600      -3.048800      0.6206000    
 H   -3.653700      -2.387800     -0.1052000    
 H   -7.153000     -5.7700001E-02  0.5701000    
 H   -7.146200      -1.849200      0.7033000    
 H   -6.362300     -0.8526000       1.976200    
 H   -5.992100     -0.1557000      -1.698500    
 H   -4.641400      -1.339100      -1.890400    
 H   -6.273600      -1.912800      -1.489600    
 H   -3.304700      0.1929000      -1.414000    
 H   -2.600400     -0.6418000      4.4999998E-03
 H    4.899400     -0.3765000       1.355700    
 H   -1.019300     -0.3004000      -1.570700    
 H  -0.7352000       2.835200       1.388500    
 H    3.710800     -0.4966000      -1.479800    
 H    2.948700      -1.196300     -1.4100000E-02
 H    1.371800     -0.5268000      -1.589300    
 H    1.726300       2.605400       1.366900    
 H    4.928600      -2.737900      0.4050000    
 H    5.707400      -2.113700      -1.068800    
 H    5.933900      0.2704000      -1.207000    
 H    7.388300      -1.311300      0.2673000    


%chk=000060401-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060401

1 1
O -2.343593 0.628142 0.689605
O 3.284185 0.503887 0.468998
O 5.936915 1.030524 -0.764131
O 7.839279 -1.001019 -0.393847
N -5.754703 -0.753630 -0.085171
C -4.582332 0.116070 0.417666
C -5.701058 -2.151924 0.531938
C -7.056647 -0.072558 0.348848
C -5.739686 -0.862295 -1.610314
C -3.171467 -0.392347 0.070353
C -0.924865 0.491673 0.567322
C 5.531297 -0.210587 -0.071293
C -0.282576 -0.560502 -0.113225
C -0.175825 1.515688 1.193409
C 4.045996 -0.534091 -0.239028
C 1.888363 0.427507 0.452926
C 1.133585 -0.593466 -0.171745
C 1.224258 1.482511 1.135483
C 6.438684 -1.366534 -0.550111
H -4.718017 1.123185 -0.011482
H -4.678877 0.188452 1.514162
H -5.663988 -2.057657 1.627820
H -6.603463 -2.707152 0.233464
H -4.807665 -2.680965 0.171610
H -7.106157 0.929483 -0.103368
H -7.910413 -0.679256 0.010707
H -7.068904 0.013013 1.445910
H -5.715572 0.149998 -2.041613
H -4.853067 -1.426627 -1.931968
H -6.649747 -1.387863 -1.937954
H -2.993972 -0.433006 -1.024739
H -2.960930 -1.390367 0.508574
H 5.745214 0.008321 0.988357
H -0.843970 -1.363441 -0.602789
H -0.698249 2.322636 1.715168
H 3.757513 -0.550045 -1.313571
H 3.828205 -1.530287 0.201185
H 1.620581 -1.417017 -0.701109
H 1.828564 2.261176 1.609047
H 6.289916 -2.268788 0.068471
H 6.202541 -1.618580 -1.611159
H 5.587652 1.025496 -1.693374
H 7.928496 -0.054457 -0.688034


