%chk=000161510.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161510

0 1
 O    2.799900       1.924200     -0.4952000    
 O    3.401100     -0.5021000      -1.868900    
 O    4.562300      -1.892600      0.2413000    
 O   -1.343700      -2.546200      0.7057000    
 N   0.2501000     -0.2916000      0.9317000    
 N  -0.8519000       2.117000      0.2460000    
 N   -2.893000      0.9513000     -0.3823000    
 N   -3.134800      -1.385600     -0.1440000    
 N   -4.871900     -4.7699999E-02 -0.9955000    
 C    1.170900      0.8390000      0.8689000    
 C    1.956100      0.7777000     -0.4407000    
 C   0.3892000       2.161400       1.006900    
 C    2.781300     -0.5073000     -0.5776000    
 C   -1.047600     -0.2118000      0.4726000    
 C   -1.607900      0.9629000      0.1064000    
 C    3.895600     -0.6515000      0.4563000    
 C   -1.846700      -1.480200      0.3589000    
 C   -3.609000     -0.2169000     -0.4904000    
 H    1.859400      0.7921000       1.720100    
 H    1.284200      0.8531000      -1.304400    
 H   0.1235000       2.305000       2.062000    
 H   0.9788000       3.034900      0.7124000    
 H    2.134500      -1.391300     -0.5595000    
 H   0.6059000      -1.208900       1.179000    
 H   -1.303000       2.988400     -1.1300000E-02
 H    3.508500     -0.6549000       1.478000    
 H    4.645500      0.1385000      0.3500000    
 H    3.328500       1.957500      0.3197000    
 H   -3.289600       1.843800     -0.6540000    
 H    3.910000      -1.326800      -1.951700    
 H    5.266400      -1.957000      0.9089000    
 H   -5.496700     -0.8365000      -1.122300    
 H   -5.218400      0.8685000      -1.258100    


%chk=000161510-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000161510

0 1
O 2.778183 2.009778 -0.305637
O 3.627931 -0.048303 -1.780350
O 4.742997 -1.711027 -0.060485
O -1.530134 -2.515448 1.131279
N 0.219659 -0.369201 1.036152
N -0.815497 2.159027 0.167092
N -2.878151 1.022623 -0.431570
N -3.237536 -1.313621 0.019252
N -4.919772 -0.039234 -1.006166
C 1.132635 0.770861 0.982478
C 1.930806 0.810922 -0.345131
C 0.299765 2.091970 1.138243
C 2.813852 -0.428324 -0.607636
C -1.083118 -0.243009 0.552484
C -1.557467 0.963514 0.064703
C 3.759197 -0.792365 0.549512
C -1.959690 -1.433548 0.603967
C -3.647514 -0.139866 -0.458919
H 1.849941 0.723160 1.824685
H 1.218732 0.879143 -1.196548
H -0.115924 2.122604 2.161028
H 0.963316 2.956196 0.987886
H 2.176891 -1.299046 -0.854724
H 0.428223 -1.255519 1.500857
H -0.616642 2.670638 -0.699532
H 3.203018 -1.298717 1.362956
H 4.258666 0.118028 0.938865
H 3.445538 1.875081 -1.035377
H -3.297030 1.945022 -0.565446
H 4.393387 -0.684406 -1.805456
H 5.427789 -1.977442 0.599237
H -5.474461 -0.891955 -0.988644
H -5.200090 0.728864 -1.610153


