%chk=000168209.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168209

0 1
 O    1.171400     -0.9025000     -0.3595000    
 O   0.8068000       2.696300      0.2072000    
 O    3.191800       2.017800       1.733000    
 O    4.663700     -0.1083000      0.4686000    
 O    2.329500      -3.153900      -1.411300    
 O   -1.079500       1.077000      -2.701900    
 O   -4.807300      8.6300001E-02 -0.1978000    
 N  -0.7666000      0.3474000     -0.5066000    
 N   -2.930000      0.5801000      -1.441500    
 C    2.739400       1.309700      0.5772000    
 C    1.211700       1.364600      0.5196000    
 C    3.248500     -0.1317000      0.6331000    
 C   0.6728000      0.4180000     -0.5520000    
 C    2.595400     -0.9753000     -0.4677000    
 C    2.980300      -2.448200     -0.3705000    
 C   -1.369000     -7.3299997E-02  0.6705000    
 C   -1.548000      0.6960000      -1.627100    
 C   -2.691900     -0.1831000      0.8446000    
 C   -3.585300      0.1660000     -0.2918000    
 C   -3.323200     -0.6384000       2.121000    
 C   -3.510300      -2.144400       2.152800    
 H    3.172100       1.832400     -0.2855000    
 H   0.8342000       1.141500       1.523200    
 H    3.037900     -0.5543000       1.622800    
 H   0.9798000      0.7687000      -1.545200    
 H    2.887500     -0.6146000      -1.463400    
 H    2.659400      -2.884200      0.5813000    
 H    4.059500      -2.590400     -0.4776000    
 H  -0.1653000       2.707900      0.1868000    
 H    2.835700       2.921200       1.678100    
 H  -0.7036000     -0.3499000       1.481900    
 H    4.857400      0.2305000     -0.4221000    
 H   -3.515200      0.8256000      -2.235200    
 H    1.372400      -3.017000      -1.305800    
 H   -2.694800     -0.3439000       2.971300    
 H   -4.285600     -0.1383000       2.280300    
 H   -3.964700      -2.448300       3.101400    
 H   -2.553100      -2.668100       2.056300    
 H   -4.166100      -2.481500       1.343000    


%chk=000168209-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168209

0 1
O 1.177217 -0.907695 -0.264822
O 0.944852 2.832075 0.164963
O 3.500683 2.200473 1.322017
O 4.791093 -0.109762 0.202730
O 2.324217 -3.315198 -1.269013
O -1.088940 1.085480 -2.656511
O -4.896335 0.084355 -0.141774
N -0.799384 0.374107 -0.419830
N -2.960029 0.571462 -1.346181
C 2.830354 1.384201 0.307186
C 1.303425 1.441428 0.456455
C 3.361563 -0.045762 0.492378
C 0.659593 0.443582 -0.542900
C 2.651982 -0.997349 -0.487741
C 3.001745 -2.471772 -0.285746
C -1.381414 -0.122828 0.757102
C -1.583479 0.700599 -1.564491
C -2.736076 -0.261167 0.935818
C -3.633288 0.124928 -0.168156
C -3.350641 -0.821005 2.201220
C -3.908058 -2.256896 2.012350
H 3.094238 1.745191 -0.710897
H 1.023158 1.165242 1.495359
H 3.157094 -0.358905 1.540207
H 0.878356 0.755689 -1.583636
H 2.875448 -0.699373 -1.533310
H 2.744202 -2.772761 0.752873
H 4.081047 -2.614676 -0.445707
H -0.020196 2.978899 0.329730
H 3.182010 3.134083 1.225753
H -0.670134 -0.430861 1.527602
H 5.231530 0.610917 0.724143
H -3.557075 0.819636 -2.142297
H 1.355317 -3.106081 -1.224773
H -2.598874 -0.814060 3.013161
H -4.182027 -0.161198 2.513705
H -4.355982 -2.621737 2.954071
H -3.108622 -2.959355 1.715181
H -4.690871 -2.266505 1.235280


