%chk=000118045.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118045

0 1
 O   0.4941000       2.461000     -2.9000000E-03
 O   -4.806300     -0.8668000      0.6082000    
 N    2.186100     -0.1498000      -1.291400    
 N    1.421400     -4.6599999E-02  0.9678000    
 C    2.950800      -1.912800      0.2110000    
 C    3.265600      -1.079700      -1.045800    
 C    2.515600     -0.9580000       1.345200    
 C    4.217900      -2.670500      0.6445000    
 C    1.846500      -2.948500     -7.9400003E-02
 C    1.362600      0.2918000     -0.2796000    
 C   0.2634000       1.244500     -0.6848000    
 C   -1.085700      0.6825000     -0.3405000    
 C   -1.760200     -0.1020000      -1.268100    
 C   -1.645800      0.9529000      0.9024000    
 C    1.769900       3.010200     -0.3169000    
 C   -3.013700     -0.6239000     -0.9484000    
 C   -2.899300      0.4310000       1.222200    
 C   -3.583100     -0.3575000      0.2969000    
 C    1.949800       4.306200      0.4446000    
 C   -5.449700      -1.664100     -0.3848000    
 H    4.188400     -0.5047000     -0.9049000    
 H    3.410900      -1.721100      -1.922100    
 H    2.186900      -1.540200       2.214400    
 H    3.363200     -0.3469000       1.680600    
 H    5.037700      -1.979100      0.8697000    
 H    4.032500      -3.269000       1.543500    
 H    4.562200      -3.348300     -0.1448000    
 H    1.630200      -3.550300      0.8106000    
 H   0.9081000      -2.480100     -0.3933000    
 H    2.153300      -3.634900     -0.8768000    
 H    2.068100      0.1888000      -2.241800    
 H   0.2999000       1.445600      -1.763300    
 H   -1.323800     -0.3173000      -2.239700    
 H   -1.130600       1.556300       1.644300    
 H    2.587900       2.345500     -2.2900000E-02
 H    1.835300       3.204400      -1.393400    
 H   -3.489000      -1.228500      -1.713300    
 H   -3.337100      0.6402000       2.194500    
 H    2.918700       4.761200      0.2206000    
 H    1.158000       5.017500      0.1870000    
 H    1.882000       4.131900       1.523500    
 H   -6.410300      -1.985300      3.1199999E-02
 H   -4.877500      -2.571600     -0.6051000    
 H   -5.670300      -1.083000      -1.286600    


%chk=000118045-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118045

0 1
O 0.751320 1.769763 1.050114
O -4.861349 -0.487788 -1.257449
N 1.715715 -0.680168 1.168354
N 1.952093 -0.735251 -1.233882
C 3.523743 -2.129382 0.255119
C 2.487721 -1.909829 1.398912
C 2.764096 -1.974705 -1.101054
C 4.113377 -3.551948 0.367246
C 4.649905 -1.069474 0.353412
C 1.500197 -0.209742 -0.117131
C 0.610235 1.036215 -0.222411
C -0.846108 0.665330 -0.517244
C -1.295577 0.559647 -1.851622
C -1.756641 0.377631 0.532979
C 0.207845 3.138907 1.003748
C -2.623065 0.176012 -2.150319
C -3.082057 -0.000791 0.255475
C -3.519499 -0.103879 -1.089441
C 0.443453 3.772757 2.374089
C -5.358048 -0.615727 -2.628703
H 1.810923 -2.789154 1.450133
H 3.010614 -1.836541 2.371400
H 3.495390 -1.987911 -1.931896
H 2.100425 -2.853739 -1.251209
H 3.320330 -4.322506 0.317051
H 4.826046 -3.745581 -0.456296
H 4.659397 -3.685157 1.321206
H 5.386450 -1.207471 -0.460159
H 4.243906 -0.046038 0.271326
H 5.187944 -1.152443 1.317314
H 1.444982 -0.063340 1.936025
H 1.013116 1.639696 -1.060746
H -0.594655 0.757461 -2.670719
H -1.417785 0.461165 1.571730
H 0.730258 3.708471 0.204747
H -0.872720 3.104983 0.755393
H -2.939438 0.099606 -3.194869
H -3.794740 -0.221969 1.056124
H 0.065316 4.811247 2.385568
H -0.080710 3.204127 3.162177
H 1.520495 3.789577 2.615091
H -6.408931 -0.924328 -2.526550
H -4.795600 -1.386313 -3.191479
H -5.303769 0.349580 -3.169452


