%chk=000170083.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170083

0 1
 O    3.156900       2.337500      -1.400600    
 O    1.143500      -1.502500     -0.5655000    
 N   -4.751500     -0.3476000     -0.1096000    
 C    1.536600      0.8994000     -0.3038000    
 C    2.894600       1.635900     -0.1901000    
 C   0.6466000       1.141500      0.9081000    
 C    3.893300      0.5358000      2.7999999E-03
 C    1.906200     -0.5726000     -0.3740000    
 C    3.332500     -0.7282000     -0.1333000    
 C  -0.7815000      0.7478000      0.6396000    
 C    5.249900      0.6593000      0.2602000    
 C    4.066400      -1.894900     -2.4400000E-02
 C   -1.663100       1.686200      0.1220000    
 C   -1.195700     -0.5484000      0.9126000    
 C   -3.413900      2.1299999E-02  0.1427000    
 C    6.019100     -0.5032000      0.3778000    
 C    5.431100      -1.771200      0.2354000    
 C   -2.986000       1.321300     -0.1277000    
 C   -2.518600     -0.9135000      0.6629000    
 C   -5.202300      -1.699700      0.1548000    
 C   -5.689500      0.6164000     -0.6497000    
 C   -4.830300      -2.634800     -0.9832000    
 C   -6.244100       1.514400      0.4430000    
 H    1.032900       1.174500      -1.239200    
 H    2.927000       2.345100      0.6438000    
 H   0.6645000       2.204700       1.182500    
 H    1.017000      0.6033000       1.791100    
 H    5.712700       1.635100      0.3650000    
 H    3.607800      -2.871300     -0.1300000    
 H    2.465400       3.014300      -1.498700    
 H   -1.338500       2.700100     -9.4700001E-02
 H  -0.5194000      -1.279300       1.345900    
 H    7.084200     -0.4259000      0.5792000    
 H    6.046200      -2.661900      0.3303000    
 H   -3.629300       2.093900     -0.5334000    
 H   -2.788100      -1.936300      0.9009000    
 H   -4.853200      -2.079900       1.121500    
 H   -6.296400      -1.707700      0.2482000    
 H   -5.266100       1.199200      -1.475700    
 H   -6.536100      8.6800002E-02  -1.106800    
 H   -5.215500      -3.640200     -0.7851000    
 H   -3.749100      -2.713000      -1.127100    
 H   -5.263500      -2.289200      -1.928300    
 H   -6.979100       2.208200      2.2500001E-02
 H   -5.468800       2.106900      0.9366000    
 H   -6.745500      0.9214000       1.215700    


%chk=000170083-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170083

0 1
O 2.800124 2.187288 -1.273031
O 1.748383 -1.703622 1.496664
N -4.880162 -0.245818 -0.225509
C 1.694420 0.491685 0.281068
C 2.920680 1.405251 -0.035534
C 0.602847 1.119649 1.196999
C 4.090420 0.444936 -0.159023
C 2.332834 -0.816536 0.817504
C 3.758225 -0.818412 0.389432
C -0.832149 0.759380 0.828914
C 5.373512 0.680634 -0.686326
C 4.704561 -1.865363 0.457852
C -1.753623 1.748536 0.407415
C -1.301939 -0.578265 0.893161
C -3.558597 0.084367 0.118598
C 6.321829 -0.369772 -0.635705
C 5.995232 -1.629223 -0.061713
C -3.083744 1.433044 0.062940
C -2.622913 -0.913712 0.544702
C -5.407777 -1.610510 -0.042512
C -5.804841 0.756228 -0.784787
C -5.137234 -2.552015 -1.241484
C -6.565602 1.572893 0.288707
H 1.244015 0.233153 -0.700641
H 3.088697 2.095203 0.823100
H 0.707789 2.223193 1.159376
H 0.814520 0.820439 2.242692
H 5.622393 1.647624 -1.133668
H 4.426184 -2.830750 0.892990
H 2.022650 2.796277 -1.192000
H -1.434597 2.798634 0.358136
H -0.612617 -1.366779 1.218905
H 7.326727 -0.211616 -1.043668
H 6.752153 -2.420629 -0.032340
H -3.753985 2.245805 -0.232041
H -2.920841 -1.965176 0.595979
H -4.991027 -2.046928 0.884534
H -6.499880 -1.533522 0.121706
H -5.249814 1.436558 -1.458045
H -6.535905 0.225043 -1.423984
H -5.554756 -3.558387 -1.049401
H -4.054141 -2.654265 -1.427710
H -5.602629 -2.157082 -2.162987
H -7.249800 2.301390 -0.185823
H -5.863795 2.124677 0.937913
H -7.166527 0.905498 0.932845


