%chk=000091565.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091565

0 1
 O   0.5978000       1.408700      0.8200000    
 O    3.103600       2.070700       1.907600    
 O   -4.182800      0.4797000      -1.775600    
 N    3.159500     -0.3356000     -0.9055000    
 C    2.969200       1.666700      0.5419000    
 C    3.215100      0.1581000      0.4638000    
 C    3.452300      -1.761400     -0.9576000    
 C    1.586000       2.079700      4.3600000E-02
 C  -0.5919000       1.138500      0.2062000    
 C    3.379300      -2.264300      -2.396600    
 C    2.472100      -2.514200     -6.3600004E-02
 C   -1.362200      2.0199999E-02  0.5651000    
 C   -2.588100     -0.2179000     -0.1005000    
 C   -1.024100       2.009200     -0.7946000    
 C   -3.007900      0.6692000      -1.105200    
 C  -0.9426000     -0.8668000       1.570000    
 C   -2.229800       1.775100      -1.448900    
 C   -3.358500      -1.336000      0.2581000    
 C   -1.720600      -1.972800       1.913200    
 C   -2.926300      -2.207000       1.258600    
 H    3.739200       2.197400     -3.0600000E-02
 H    2.476400     -0.3202000       1.115000    
 H    4.196900     -5.4499999E-02  0.9072000    
 H    4.472400      -1.945200     -0.5967000    
 H    3.824200      0.1759000      -1.485200    
 H    1.516900       1.836600      -1.024100    
 H    1.455200       3.159500      0.1822000    
 H    4.091900      -1.731100      -3.035700    
 H    3.622000      -3.331100      -2.448200    
 H    2.377300      -2.126200      -2.818500    
 H    2.692600      -2.393100       1.001700    
 H    2.532900      -3.591300     -0.2601000    
 H    1.434400      -2.214000     -0.2490000    
 H  -0.4748000       2.902900      -1.075000    
 H    2.981500       3.034900       1.941200    
 H  -5.7000001E-03 -0.7131000       2.100700    
 H   -2.563900       2.461900      -2.222100    
 H   -4.314400      -1.559700     -0.2066000    
 H   -1.385000      -2.651000       2.692300    
 H   -3.532800      -3.066500       1.529400    
 H   -4.410400     -0.4624000      -1.799700    


%chk=000091565-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091565

0 1
O 0.575780 0.853705 0.488253
O 2.665462 1.996350 1.945151
O -4.725306 0.532341 -1.459348
N 3.888800 -0.267342 -0.823463
C 2.873995 1.534347 0.564570
C 3.452340 0.098134 0.542190
C 3.962814 -1.724381 -1.134437
C 1.580311 1.650770 -0.248710
C -0.729610 0.794937 -0.033116
C 4.836249 -1.915240 -2.391121
C 2.548227 -2.304013 -1.356428
C -1.656620 -0.015012 0.716144
C -3.027461 -0.126180 0.258860
C -1.142165 1.458096 -1.193896
C -3.416912 0.579181 -0.938833
C -1.257992 -0.715931 1.899357
C -2.490015 1.346849 -1.642608
C -3.936455 -0.936243 1.016348
C -2.169149 -1.496657 2.614974
C -3.522205 -1.607304 2.169557
H 3.616423 2.236492 0.141226
H 2.661333 -0.603470 0.861788
H 4.264690 0.049000 1.302272
H 4.440757 -2.285805 -0.292630
H 4.770874 0.203405 -1.069621
H 1.734370 1.230634 -1.260739
H 1.243337 2.704358 -0.301425
H 5.871600 -1.560506 -2.222266
H 4.886086 -2.981435 -2.673988
H 4.408518 -1.349628 -3.239694
H 1.889575 -2.126534 -0.487432
H 2.599003 -3.395860 -1.524506
H 2.080440 -1.828839 -2.237621
H -0.446083 2.068648 -1.774045
H 1.818372 1.586903 2.262949
H -0.218823 -0.628856 2.228418
H -2.816678 1.865893 -2.547969
H -4.983241 -1.047832 0.701411
H -1.849510 -2.027256 3.518172
H -4.233629 -2.220845 2.732522
H -5.320600 -0.015374 -0.892063


