%chk=000036609.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036609

0 1
 O   -1.545100       2.066800      0.4281000    
 O  -0.1391000     -0.3842000      -2.375700    
 O  -0.2841000      0.6281000       2.207400    
 O    3.597900       1.132200     -0.1869000    
 N    1.751300      0.2797000      -1.258600    
 N    1.679100      0.7848000       1.030900    
 C  -0.1861000     -0.4694000      4.7300000E-02
 C   0.1334000      -1.937500      0.3814000    
 C   -1.708500     -0.2887000     -4.0800001E-02
 C   0.4417000     -0.1738000      -1.311200    
 C   0.3627000      0.3785000       1.190400    
 C   -2.084000       1.118800     -0.4889000    
 C  -0.4330000      -2.303300       1.748200    
 C  -0.4191000      -2.857800     -0.7004000    
 C   -3.597200       1.282700     -0.5334000    
 C    2.429900      0.7429000     -0.1378000    
 H    1.221300      -2.086100      0.4208000    
 H   -2.186500     -0.4655000      0.9291000    
 H   -2.170800     -0.9737000     -0.7572000    
 H   -1.686000       1.359100      -1.478300    
 H   -1.519300      -2.209700       1.818700    
 H  -0.2140000      -3.359400       1.953100    
 H   3.1300001E-02  -1.752000       2.569700    
 H   -1.510200      -2.878300     -0.7542000    
 H  -0.1252000      -3.889300     -0.4645000    
 H  -9.1000004E-03  -2.668400      -1.694400    
 H    2.241700      0.3551000      -2.145500    
 H    2.116300       1.232600       1.831600    
 H   -4.045000       1.110100      0.4516000    
 H   -3.859900       2.306800     -0.8200000    
 H   -4.052100      0.5932000      -1.251100    
 H   -1.971300       1.926100       1.291000    


%chk=000036609-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036609

0 1
O -1.330266 2.195838 -0.024118
O -0.162656 -0.374177 -2.403621
O -0.287225 0.626625 2.278867
O 3.594797 1.211702 -0.191082
N 1.727748 0.285961 -1.254228
N 1.656890 0.791069 1.048753
C -0.262421 -0.476209 0.059939
C 0.124879 -2.001390 0.426323
C -1.795715 -0.263850 -0.021505
C 0.394208 -0.166638 -1.294861
C 0.319530 0.382350 1.198842
C -2.197895 1.127219 -0.577701
C -0.597779 -2.491050 1.704992
C -0.131763 -2.987985 -0.737714
C -3.682335 1.434179 -0.329172
C 2.415450 0.784476 -0.134508
H 1.216551 -1.996316 0.630222
H -2.207096 -0.387302 0.996607
H -2.241436 -1.036926 -0.671703
H -1.978851 1.167151 -1.656888
H -1.672745 -2.659652 1.514098
H -0.161291 -3.457115 2.017410
H -0.504413 -1.782476 2.544694
H -1.196094 -3.002224 -1.032043
H 0.136844 -4.007020 -0.404219
H 0.461341 -2.757775 -1.637961
H 2.212590 0.384043 -2.152291
H 2.094552 1.252802 1.852454
H -3.912671 1.434060 0.754051
H -3.941818 2.423859 -0.742235
H -4.327104 0.676854 -0.812327
H -1.502808 2.270314 0.951327


