%chk=000046763.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046763

1 1
 O  -0.8074000     -0.2022000       1.330900    
 O    1.626400     -0.1924000       2.148800    
 O  -4.5299999E-02  -1.794500     -0.1429000    
 N   -4.312700     -0.7635000      0.1801000    
 C   -5.146100     -0.1077000     -0.9114000    
 C   -2.917300     -0.1563000      0.1871000    
 C   -4.214000      -2.258600     -8.6599998E-02
 C   -4.973400     -0.5317000       1.531400    
 C   -4.466900     -0.3526000      -2.249200    
 C   -5.276700       1.373400     -0.5940000    
 C   -2.100800     -0.7909000       1.295700    
 C    1.502600     -0.1037000      0.7147000    
 C   0.1521000     -0.8067000      0.5546000    
 C    2.649300     -0.8696000      5.0999999E-02
 C    1.497600       1.361900      0.2733000    
 C    2.686600     -0.9391000      -1.322600    
 C   0.7719000       1.710900     -0.8421000    
 C    3.598600      -1.459700      0.8531000    
 C    2.219100       2.273500       1.008700    
 C    3.731700      -1.637200      -1.927700    
 C   0.7673000       3.046500      -1.244500    
 C    4.643700      -2.157800      0.2481000    
 C    2.214500       3.609100      0.6063000    
 C    4.710300      -2.246600      -1.142500    
 C    1.488700       3.995600     -0.5203000    
 H   -6.135600     -0.5814000     -0.8998000    
 H   -2.421200     -0.3383000     -0.7695000    
 H   -2.967300      0.9209000      0.3631000    
 H   -3.460300      -2.454800     -0.8542000    
 H   -5.197100      -2.623300     -0.4008000    
 H   -3.933500      -2.778800      0.8342000    
 H   -4.756100      0.4789000       1.888300    
 H   -4.594200      -1.259400       2.255500    
 H   -6.051800     -0.6865000       1.423300    
 H   -4.303000      -1.406200      -2.485200    
 H   -3.531000      0.1979000      -2.380300    
 H   -5.127600      2.1299999E-02  -3.042600    
 H   -5.735900       1.586800      0.3739000    
 H   -4.344600       1.936800     -0.6847000    
 H   -5.950900       1.823400      -1.334900    
 H   -2.013000      -1.878600       1.216300    
 H   -2.528400     -0.5841000       2.280700    
 H    1.016600      0.4489000       2.553300    
 H    1.929300     -0.4961000      -1.958300    
 H   0.1970000      0.9924000      -1.417300    
 H    3.583200      -1.411800       1.936300    
 H    2.801800       1.991500       1.879800    
 H    3.780900      -1.711100      -3.010200    
 H   0.2007000       3.347900      -2.120800    
 H    5.406000      -2.632300      0.8590000    
 H    2.778800       4.347700       1.168200    
 H    5.523300      -2.791200      -1.613600    
 H    1.485400       5.035400     -0.8339000    


%chk=000046763-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046763

1 1
O -0.653062 -0.365024 1.848845
O 1.887888 0.249135 2.123546
O -0.351407 -1.455230 -0.183217
N -4.067676 -0.767232 0.242590
C -4.802471 0.197100 -0.797920
C -2.888820 -0.030619 0.903231
C -3.581522 -2.015938 -0.511719
C -5.063988 -1.213648 1.311103
C -3.902410 0.533288 -2.001246
C -5.347671 1.476367 -0.137934
C -2.031396 -0.903859 1.852726
C 1.488918 0.005413 0.732823
C 0.118396 -0.721048 0.710461
C 2.579380 -0.901675 0.137083
C 1.265771 1.336539 -0.033567
C 3.226224 -0.616518 -1.085903
C 0.556590 1.382105 -1.262767
C 2.947180 -2.059196 0.869255
C 1.815763 2.528760 0.495466
C 4.228880 -1.484877 -1.576214
C 0.387849 2.610140 -1.941598
C 3.945990 -2.924446 0.378719
C 1.643623 3.755108 -0.185740
C 4.588927 -2.640834 -0.849568
C 0.925003 3.802135 -1.402041
H -5.649201 -0.431433 -1.135743
H -2.253231 0.340977 0.085728
H -3.308675 0.831825 1.443085
H -2.603710 -1.816911 -0.971731
H -4.332633 -2.280078 -1.270979
H -3.478340 -2.852422 0.194226
H -5.406760 -0.347298 1.892654
H -4.572633 -1.933558 1.982776
H -5.921139 -1.700352 0.820441
H -3.506383 -0.353533 -2.520118
H -3.063797 1.198618 -1.732366
H -4.520924 1.081893 -2.733008
H -6.013450 1.291920 0.720551
H -4.545715 2.171325 0.163716
H -5.953954 2.004069 -0.894762
H -1.994127 -1.959721 1.535741
H -2.350820 -0.831460 2.902190
H 1.127535 0.661344 2.613119
H 2.968029 0.282433 -1.653734
H 0.172626 0.457668 -1.711168
H 2.476112 -2.258631 1.838031
H 2.393517 2.481490 1.423441
H 4.732293 -1.252618 -2.520754
H -0.139657 2.633873 -2.902047
H 4.230037 -3.812014 0.954223
H 2.081811 4.669811 0.227561
H 5.368126 -3.309896 -1.230215
H 0.800403 4.752729 -1.931473


