%chk=000218280.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218280

0 1
O 4.369622 -0.257337 0.130733
O 4.412291 1.970734 0.502856
N -1.832017 0.311375 0.649973
N -1.615004 -3.893152 0.086387
C -1.930828 -1.067673 0.334218
C -0.658905 -1.587539 0.138709
C -3.186738 -1.856834 0.267054
C -0.426631 -3.020773 -0.197778
C 0.287670 -0.515831 0.299745
C -2.881288 -3.241888 -0.362835
C -0.475805 0.671726 0.603365
C -2.960665 1.239754 0.839696
C -3.365257 1.903884 -0.486940
C 1.682779 -0.433810 0.221880
C 0.149482 1.918666 0.817238
C -1.672149 -4.274948 1.528509
C 2.291856 0.800895 0.437751
C -4.544377 2.863210 -0.285658
C 1.526855 1.966009 0.731569
C -4.950908 3.530062 -1.597112
C 3.757543 0.958944 0.369095
C 5.825326 -0.271024 0.002121
C 6.223308 0.212473 -1.377495
H -3.611866 -1.985384 1.283922
H -3.963180 -1.339758 -0.329887
H -0.205525 -3.122618 -1.287685
H 0.462517 -3.418994 0.337571
H -3.722822 -3.936918 -0.161661
H -2.813294 -3.133943 -1.468914
H -3.819617 0.682917 1.277903
H -2.669068 2.012414 1.588880
H -3.623593 1.131026 -1.237384
H -2.499458 2.447167 -0.917262
H 2.281082 -1.319446 -0.003804
H -0.435803 2.805070 1.038363
H -0.786970 -4.888133 1.764555
H -2.558063 -4.902662 1.707812
H -1.696664 -3.424800 2.226610
H -5.410637 2.318188 0.138799
H -4.278996 3.639943 0.459107
H 2.061808 2.907700 0.887625
H -5.792364 4.216863 -1.448262
H -4.127633 4.112084 -2.028547
H -5.258527 2.794382 -2.349391
H 6.256954 0.347963 0.809131
H 6.038679 -1.342296 0.168172
H 7.294064 0.070562 -1.560543
H 5.672027 -0.317632 -2.164337
H 6.005294 1.284982 -1.496553


%chk=000218280-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218280

0 1
O 4.438385 -0.254867 0.089705
O 4.391194 2.031009 0.565876
N -1.851137 0.262461 0.581341
N -1.662211 -3.942119 0.171338
C -1.947860 -1.121051 0.298256
C -0.671889 -1.653968 0.120850
C -3.226882 -1.909240 0.244009
C -0.462942 -3.127674 -0.179868
C 0.272398 -0.566648 0.276543
C -2.901308 -3.323998 -0.355859
C -0.500217 0.622661 0.561788
C -2.976928 1.187981 0.776060
C -3.392205 1.933567 -0.515553
C 1.681032 -0.474764 0.211566
C 0.112215 1.879393 0.778067
C -1.737448 -4.292969 1.606613
C 2.298307 0.780455 0.430742
C -4.546819 2.930079 -0.266370
C 1.513050 1.944658 0.712252
C -4.961846 3.687270 -1.546175
C 3.773003 0.950028 0.376630
C 5.923873 -0.174627 -0.013133
C 6.351615 0.255697 -1.420091
H -3.668010 -2.017721 1.257226
H -3.994961 -1.415621 -0.385151
H -0.247933 -3.276885 -1.258325
H 0.406692 -3.529183 0.373685
H -3.748095 -4.009546 -0.168570
H -2.784477 -3.224770 -1.452053
H -3.835531 0.613103 1.169116
H -2.698159 1.921327 1.557036
H -3.693282 1.194551 -1.284313
H -2.514355 2.472134 -0.922893
H 2.303403 -1.347660 -0.003942
H -0.475206 2.778851 0.990478
H -0.848247 -4.887574 1.882485
H -2.630849 -4.920642 1.778821
H -1.787718 -3.416933 2.297041
H -5.423270 2.386535 0.142687
H -4.241037 3.658940 0.512013
H 2.039821 2.890560 0.873609
H -5.789567 4.392016 -1.347390
H -4.114039 4.267526 -1.955689
H -5.296907 2.984511 -2.331845
H 6.293046 0.534866 0.748455
H 6.257509 -1.197761 0.225205
H 7.454284 0.225338 -1.502987
H 5.928184 -0.419518 -2.183897
H 6.017826 1.285821 -1.628090


