%chk=000167718.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000167718

1 1
 O    3.071100       3.463200      0.3397000    
 O   0.5421000       3.198500     -0.7791000    
 O   -3.114200       2.180100      0.8389000    
 O   -5.088700      0.8841000     -0.6256000    
 N    1.746400      -2.863500     -0.2797000    
 C   0.7262000      -1.679400     -0.2926000    
 C    2.721100      -2.694400      0.8889000    
 C    1.380100     -0.3172000     -0.1374000    
 C    3.489600      -1.380600      0.8001000    
 C  -0.3568000      -1.846900      0.7869000    
 C    2.658400     -0.1817000      0.4292000    
 C    2.500800      -2.904800      -1.620700    
 C    1.051600      -4.223600     -0.1407000    
 C   0.6825000      0.8340000     -0.5410000    
 C   -1.613300      -1.118400      0.4130000    
 C    3.214300       1.098800      0.5786000    
 C    1.242700       2.100600     -0.3813000    
 C    2.508100       2.233200      0.1808000    
 C   -1.783700      0.2056000      0.8027000    
 C   -2.597300      -1.773100     -0.3197000    
 C   -2.952600      0.8831000      0.4555000    
 C   -3.766000      -1.095800     -0.6669000    
 C   -3.943600      0.2324000     -0.2795000    
 C    3.861600       3.958700     -0.7393000    
 C   -6.180200      0.8072000      0.2894000    
 H   0.2689000      -1.736200      -1.290300    
 H    3.405000      -3.551200      0.8872000    
 H    2.126000      -2.729000       1.809200    
 H    4.294800      -1.479000      6.1099999E-02
 H    3.972200      -1.202700       1.769300    
 H  -1.0000000E-03  -1.498100       1.766100    
 H  -0.6554000      -2.884200      0.9519000    
 H    3.284300      -3.665300      -1.552000    
 H    1.784000      -3.163500      -2.406300    
 H    2.938500      -1.926000      -1.827600    
 H   0.7309000      -4.367800      0.8940000    
 H   0.2100000      -4.256400     -0.8385000    
 H    1.777400      -5.005300     -0.3882000    
 H  -0.2519000      0.7439000      -1.087400    
 H    4.210500       1.209000       1.002000    
 H   -1.046100      0.6988000       1.430600    
 H   -2.468600      -2.806500     -0.6301000    
 H   -4.533300      -1.608400      -1.241000    
 H  -0.3196000       2.915600      -1.130400    
 H    3.259600       4.048400      -1.649100    
 H    4.719100       3.302400     -0.9191000    
 H    4.231600       4.950500     -0.4656000    
 H   -2.324200       2.467100       1.328300    
 H   -6.500500     -0.2317000      0.4173000    
 H   -7.014000       1.382000     -0.1229000    
 H   -5.903300       1.237100       1.257100    


%chk=000167718-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000167718

1 1
O 3.044786 3.293901 0.133065
O 0.511392 2.892761 -1.304857
O -3.170709 1.930135 1.480971
O -4.866763 1.072828 -0.723853
N 1.889873 -3.082469 -0.222027
C 0.768208 -1.979779 -0.302539
C 2.741653 -2.837409 1.041490
C 1.419967 -0.602049 -0.266051
C 3.481803 -1.495283 0.984196
C -0.329597 -2.156339 0.800706
C 2.635195 -0.355948 0.426785
C 2.751561 -3.003651 -1.482661
C 1.303157 -4.488538 -0.154939
C 0.740252 0.481971 -0.870980
C -1.550952 -1.305833 0.465801
C 3.126496 0.964588 0.496312
C 1.215925 1.805179 -0.768553
C 2.445372 2.062607 -0.079830
C -1.823742 -0.111605 1.171763
C -2.409542 -1.675328 -0.599490
C -2.920299 0.712409 0.827443
C -3.511991 -0.867438 -0.938804
C -3.791915 0.333502 -0.240843
C 2.753444 4.473154 -0.719184
C -5.723048 1.858456 0.198965
H 0.293176 -2.156724 -1.287060
H 3.441341 -3.686595 1.128949
H 2.038022 -2.875401 1.888728
H 4.405974 -1.599684 0.382309
H 3.820676 -1.261110 2.010735
H 0.078449 -1.859765 1.783012
H -0.644627 -3.213967 0.862987
H 3.630676 -3.654629 -1.356142
H 2.150008 -3.349458 -2.337598
H 3.063676 -1.964633 -1.649612
H 0.889292 -4.680760 0.844149
H 0.513342 -4.589535 -0.915395
H 2.108328 -5.211720 -0.358468
H -0.202295 0.299664 -1.402515
H 4.071793 1.185334 1.003541
H -1.155906 0.204559 1.984855
H -2.243392 -2.609200 -1.151161
H -4.196655 -1.146181 -1.745263
H -0.348514 2.607069 -1.703205
H 1.735317 4.847970 -0.539159
H 2.876690 4.222261 -1.786389
H 3.505644 5.213078 -0.409575
H -2.534580 2.078938 2.224113
H -6.091150 1.217849 1.020567
H -6.563388 2.186293 -0.430003
H -5.177323 2.720124 0.610514


