%chk=000058375.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058375

0 1
 O    3.597600     -0.5394000      1.6600000E-02
 O    3.810500      -3.133700      0.1229000    
 O    1.572100      -3.457300      0.3501000    
 N   -2.931300     -0.3829000     -6.4999998E-02
 C   -4.274800     -0.8307000      0.3494000    
 C   -4.935500      0.2536000       1.222000    
 C   -2.939100      0.8958000     -0.7843000    
 C   -4.970100       1.615700      0.5353000    
 C   -3.576800       2.002700      5.5599999E-02
 C   -2.191900      -1.398900     -0.8086000    
 C  -0.7351000     -0.9732000     -0.9837000    
 C   -5.205400      -1.257000     -0.7967000    
 C  -5.6800000E-02 -0.7592000      0.3719000    
 C    1.392400     -0.3748000      0.2160000    
 C    1.885800      0.9321000      0.1051000    
 C    2.439900      -1.235800      0.1599000    
 C    3.263200      0.7813000     -1.7000001E-02
 C    1.348600       2.231200      9.1399997E-02
 C    4.156600       1.842300     -0.1533000    
 C    2.527000      -2.655700      0.2213000    
 C    2.222300       3.318800     -4.4500001E-02
 C    3.600700       3.125100     -0.1644000    
 H   -4.147600      -1.708400      0.9976000    
 H   -4.373800      0.3463000       2.161300    
 H   -5.953400     -4.5499999E-02   1.498800    
 H   -3.460400      0.8091000      -1.745500    
 H   -1.931000       1.256700      -1.002800    
 H   -5.348700       2.373800       1.230000    
 H   -5.661200       1.590900     -0.3151000    
 H   -3.631900       2.927700     -0.5296000    
 H   -2.939900       2.213700      0.9246000    
 H   -2.628800      -1.576400      -1.798700    
 H   -2.214300      -2.352800     -0.2668000    
 H  -0.6142000     -0.1062000      -1.640900    
 H  -0.2162000      -1.787600      -1.508300    
 H   -4.809500      -2.127500      -1.329300    
 H   -6.186400      -1.544900     -0.4024000    
 H   -5.366200     -0.4583000      -1.526700    
 H  -0.5589000      3.5999998E-02  0.9364000    
 H  -0.1431000      -1.661800      0.9881000    
 H   0.2798000       2.399900      0.1828000    
 H    5.224400       1.684200     -0.2460000    
 H    1.819600       4.328400     -5.6699999E-02
 H    4.254100       3.987900     -0.2684000    
 H    3.835300      -4.113500      0.1681000    


%chk=000058375-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058375

0 1
O 3.709232 -0.474222 0.059464
O 4.168287 -3.129682 -0.040829
O 1.902187 -3.665177 0.023542
N -2.883290 -0.247767 -0.335061
C -4.085747 -0.578485 0.490475
C -4.509591 0.679835 1.292167
C -3.088102 0.893043 -1.261212
C -4.739850 1.908187 0.380241
C -3.487956 2.166691 -0.488139
C -2.230659 -1.417182 -0.973431
C -0.699358 -1.240011 -1.102816
C -5.272970 -1.191891 -0.310727
C -0.019497 -1.182511 0.296048
C 1.382180 -0.646807 0.233266
C 1.752311 0.759047 0.256140
C 2.581662 -1.351953 0.110618
C 3.172823 0.819496 0.149917
C 1.013833 1.966625 0.364577
C 3.903395 2.017378 0.144255
C 2.811655 -2.790646 0.030677
C 1.725518 3.181892 0.360671
C 3.149079 3.206458 0.251858
H -3.752483 -1.344565 1.220012
H -3.702722 0.916910 2.012973
H -5.422180 0.452029 1.876231
H -3.866835 0.669994 -2.035368
H -2.144075 1.070948 -1.808463
H -4.974238 2.797378 0.995915
H -5.616809 1.738698 -0.276494
H -3.668382 2.993459 -1.202136
H -2.644327 2.465870 0.165948
H -2.656875 -1.634296 -1.983429
H -2.430986 -2.307528 -0.345504
H -0.474903 -0.314287 -1.667067
H -0.278620 -2.081868 -1.685356
H -4.948614 -2.083554 -0.877809
H -6.074655 -1.507481 0.382463
H -5.711450 -0.474919 -1.027440
H -0.641664 -0.521697 0.929717
H -0.019877 -2.196754 0.730859
H -0.078310 1.948242 0.449577
H 4.993544 2.024005 0.063121
H 1.182950 4.129679 0.443849
H 3.669071 4.170564 0.253625
H 4.234900 -4.121442 -0.096427


