%chk=000038274.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038274

0 1
 O   0.1684000     -0.1782000      -1.986700    
 O    2.171500      -2.366100       1.118900    
 N    1.173700      -2.052800      0.1972000    
 C   -1.639000     -0.8707000     -0.4780000    
 C  -0.2606000     -0.1745000     -0.6376000    
 C    1.481500      6.7599997E-02   1.346400    
 C   -2.811100      2.7700000E-02 -0.9391000    
 C   0.7959000     -0.8113000      0.2863000    
 C   -1.634400      -2.258300      -1.166600    
 C    2.327000       1.175200      0.6777000    
 C   0.4729000      0.6179000       2.368300    
 C   -3.117900       1.174100      3.0600000E-02
 C    3.436900      0.7026000     -0.2691000    
 C   -2.876100      -3.107600     -0.9339000    
 C   -4.263200       2.045400     -0.4882000    
 C    4.175200       1.892900     -0.8866000    
 C  -0.2599000     -0.4829000       3.124600    
 C   -4.598800       3.162500      0.4872000    
 C    5.257900       1.436600      -1.851500    
 H   -1.804400      -1.061800      0.5877000    
 H  -0.3585000      0.8745000     -0.3505000    
 H    2.200700     -0.4857000       1.955800    
 H   -3.725600     -0.5652000      -1.038800    
 H   -2.591700      0.4295000      -1.936000    
 H  -0.7875000      -2.858000     -0.8291000    
 H   -1.510300      -2.129900      -2.249000    
 H    1.662800       1.853800      0.1280000    
 H    2.785100       1.783300       1.469200    
 H  -0.2651000       1.259900       1.875500    
 H   0.9983000       1.250700       3.094100    
 H   -2.234300       1.803700      0.1761000    
 H   -3.383600      0.7606000       1.011100    
 H    3.015000      8.4899999E-02  -1.069000    
 H    4.144000      7.3799998E-02  0.2850000    
 H   -3.093800      -3.199400      0.1348000    
 H   -2.721200      -4.114700      -1.335000    
 H   -3.754100      -2.691900      -1.435400    
 H   -3.990000       2.481500      -1.456200    
 H   -5.156400       1.430500     -0.6491000    
 H    3.465700       2.534000      -1.422500    
 H    4.629300       2.500600     -9.5399998E-02
 H   0.9451000      0.4027000      -2.050500    
 H  -0.8195000      -1.149600       2.468200    
 H  -0.9674000     -4.0899999E-02   3.833700    
 H   0.4481000      -1.092300       3.696100    
 H   -4.907900       2.757600       1.456100    
 H   -5.419200       3.772800      9.6900001E-02
 H   -3.735400       3.816000      0.6472000    
 H    6.001500      0.8160000      -1.341400    
 H    5.773400       2.302000      -2.279600    
 H    4.830400      0.8546000      -2.674200    
 H    2.332600      -3.304200      0.9219000    


%chk=000038274-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038274

0 1
O -0.406447 -1.444258 -2.173107
O 2.527651 -3.108235 0.015978
N 1.397265 -2.491504 -0.682922
C -1.567441 -0.673416 -0.140421
C -0.201167 -0.756762 -0.892889
C 1.521249 -0.793768 1.179664
C -2.547208 0.227916 -0.941775
C 0.940850 -1.407391 -0.091868
C -2.162578 -2.085625 0.107460
C 1.606877 0.757551 1.102025
C 0.773611 -1.249120 2.477217
C -2.236576 1.740853 -0.876688
C 2.588986 1.280173 0.028413
C -3.221888 -2.116675 1.231058
C -3.254263 2.596582 -1.665931
C 2.623403 2.823204 -0.055611
C 0.805055 -2.768444 2.744790
C -2.948972 4.108648 -1.603661
C 3.627906 3.345719 -1.105025
H -1.381897 -0.186733 0.840973
H 0.124818 0.275733 -1.133885
H 2.554306 -1.188987 1.261909
H -3.574727 0.065917 -0.557941
H -2.543166 -0.111570 -1.996056
H -1.350157 -2.794757 0.360328
H -2.601602 -2.449412 -0.840586
H 0.600706 1.193310 0.934924
H 1.936480 1.126585 2.094629
H -0.274805 -0.894722 2.452502
H 1.258768 -0.722233 3.323702
H -1.220936 1.941476 -1.277986
H -2.226221 2.073433 0.183435
H 2.321611 0.869434 -0.966902
H 3.607415 0.900463 0.252186
H -2.778829 -1.834613 2.205756
H -3.654927 -3.128104 1.340848
H -4.055814 -1.419244 1.027946
H -3.265228 2.261509 -2.722820
H -4.272769 2.406556 -1.269387
H 1.606777 3.197150 -0.296863
H 2.877389 3.238081 0.941480
H 0.190369 -2.246568 -2.155852
H 0.305691 -3.333726 1.938097
H 0.291436 -3.005133 3.694990
H 1.843636 -3.137906 2.809030
H -2.959679 4.472981 -0.558761
H -3.691807 4.696382 -2.173917
H -1.949570 4.328579 -2.024912
H 4.656247 3.012248 -0.869734
H 3.632013 4.450369 -1.147357
H 3.377361 2.969676 -2.114847
H 2.756799 -3.862120 -0.586035


