%chk=000201862.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201862

0 1
O 0.499027 2.590017 0.891524
N 1.864876 0.137051 0.074871
C 0.416113 0.399939 -0.258961
C 2.134492 -1.316079 0.344939
C 2.766180 0.611616 -1.033198
C 3.588174 -1.494629 0.812449
C 4.235173 0.475301 -0.599729
C 4.573580 -0.976835 -0.242076
C -0.515585 -0.151682 0.846254
C 0.208860 1.934623 -0.347990
C -1.933454 -0.259853 0.359990
C -2.873343 0.726955 0.695056
C -2.327591 -1.350720 -0.431034
C -4.191795 0.621096 0.244900
C -3.647245 -1.451250 -0.878883
C -4.581992 -0.466797 -0.542611
H 0.128811 -0.056158 -1.241937
H 1.937681 -1.956443 -0.541595
H 1.443499 -1.656947 1.151293
H 2.543248 1.683297 -1.235991
H 2.598110 0.060423 -1.983320
H 3.779393 -2.560279 1.032847
H 3.738038 -0.944970 1.763638
H 4.421496 1.127263 0.277391
H 4.895653 0.840396 -1.406910
H 5.609882 -1.045224 0.137122
H 4.534632 -1.612479 -1.146616
H -0.161706 -1.140177 1.211277
H -0.447999 0.516270 1.735461
H 0.838494 2.392071 -1.134414
H -0.852996 2.186894 -0.530454
H -2.572921 1.577473 1.307463
H -1.606553 -2.120959 -0.694127
H 1.343747 2.234404 1.261553
H -4.917188 1.388969 0.509350
H -3.948646 -2.299777 -1.490585
H -5.608946 -0.547599 -0.891149


%chk=000201862-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201862

0 1
O 0.680642 2.325807 0.958910
N 1.876546 0.093559 -0.002420
C 0.415290 0.262583 -0.345925
C 2.286642 -1.165025 0.679709
C 2.739963 0.352322 -1.193941
C 3.762636 -1.088099 1.126283
C 4.226401 0.471775 -0.805261
C 4.698875 -0.800416 -0.067855
C -0.530702 -0.493718 0.631805
C 0.145152 1.796129 -0.294318
C -1.995780 -0.375053 0.235316
C -2.866118 0.522225 0.905912
C -2.521171 -1.163897 -0.821770
C -4.224756 0.630984 0.529978
C -3.877238 -1.056908 -1.202977
C -4.735019 -0.157312 -0.527206
H 0.208721 -0.111769 -1.377056
H 2.153150 -2.051983 0.008135
H 1.652322 -1.319569 1.567164
H 2.402205 1.285125 -1.678400
H 2.618897 -0.472249 -1.942289
H 4.039195 -2.038563 1.622085
H 3.862126 -0.278984 1.876195
H 4.355995 1.353880 -0.148477
H 4.829283 0.644711 -1.717458
H 5.744340 -0.688211 0.275649
H 4.678120 -1.660921 -0.768552
H -0.255429 -1.564089 0.647852
H -0.379287 -0.086627 1.649268
H 0.611014 2.302468 -1.166876
H -0.935945 2.006407 -0.311999
H -2.472304 1.137492 1.724185
H -1.864888 -1.873692 -1.342182
H 1.519825 1.779811 1.079229
H -4.882711 1.328121 1.061258
H -4.266529 -1.675874 -2.019625
H -5.788263 -0.075240 -0.818546


