%chk=000212604.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212604

0 1
O -0.309413 -1.266580 -0.527474
O 1.957392 0.192865 -0.749969
N -3.334300 -0.397689 0.068775
C -4.513810 0.391286 -0.424696
C -2.499475 0.587428 0.837627
C -4.093399 1.873946 -0.530387
C -2.808575 2.004477 0.307261
C -2.568685 -1.013013 -1.062832
C -1.565730 -2.026900 -0.503970
C 0.826972 -1.878653 -0.081197
C 1.992804 -1.066630 -0.138017
C 0.926757 -3.185631 0.409320
C 3.226454 -1.550313 0.287209
C 2.174088 -3.665767 0.829826
C 3.314091 -2.863262 0.770488
C 1.397023 1.245816 -0.034994
C 1.069912 1.201068 1.324716
C 1.224777 2.404370 -0.815252
C 0.556512 2.359738 1.915842
C 0.712770 3.541949 -0.196685
C 0.376579 3.524525 1.164935
H -5.313147 0.263581 0.336900
H -4.912194 0.000474 -1.376708
H -1.416819 0.351902 0.772607
H -2.793873 0.489016 1.902653
H -4.888020 2.539694 -0.158523
H -3.910840 2.160818 -1.578862
H -1.970015 2.385631 -0.301745
H -2.935335 2.718310 1.136219
H -2.022261 -0.265147 -1.686378
H -3.282649 -1.535531 -1.735219
H -1.448155 -2.908201 -1.153688
H -1.782642 -2.326935 0.536098
H 0.055826 -3.831149 0.465807
H 4.105481 -0.908343 0.230054
H 2.248802 -4.685521 1.208708
H 4.275791 -3.251557 1.098675
H 1.212807 0.294551 1.905833
H 1.491587 2.390627 -1.868762
H 0.297131 2.350009 2.974350
H 0.572686 4.453784 -0.776961
H -0.020107 4.419958 1.635416


%chk=000212604-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212604

0 1
O -0.316204 -1.168884 -0.369827
O 2.037949 0.260797 -0.640624
N -3.308807 -0.273549 0.185007
C -4.652121 0.277821 -0.162421
C -2.530556 0.951225 0.554733
C -4.406637 1.633740 -0.913119
C -2.986455 2.081659 -0.431543
C -2.698656 -1.076031 -0.907205
C -1.558561 -1.975542 -0.423590
C 0.867705 -1.828818 -0.033800
C 2.066823 -1.061632 -0.128443
C 0.954068 -3.182805 0.375715
C 3.313733 -1.640568 0.164362
C 2.211583 -3.757141 0.674241
C 3.394290 -2.994456 0.567564
C 1.525236 1.311704 0.158819
C 1.273467 1.185937 1.544161
C 1.325228 2.540598 -0.510374
C 0.810335 2.313360 2.260232
C 0.863869 3.656042 0.219389
C 0.602273 3.549930 1.607396
H -5.198131 0.470595 0.781356
H -5.239438 -0.450394 -0.748565
H -1.449950 0.752929 0.520875
H -2.799699 1.226396 1.592387
H -5.185836 2.377318 -0.668241
H -4.422857 1.486759 -2.008356
H -2.285504 2.161551 -1.281368
H -3.003238 3.064723 0.070599
H -2.320657 -0.468308 -1.764379
H -3.488009 -1.743824 -1.302401
H -1.397274 -2.814925 -1.131213
H -1.800159 -2.368552 0.583032
H 0.050140 -3.792238 0.461282
H 4.208905 -1.019137 0.061927
H 2.259759 -4.805677 0.987730
H 4.367420 -3.441899 0.792740
H 1.440352 0.231715 2.054010
H 1.534074 2.599857 -1.582763
H 0.614319 2.220025 3.334435
H 0.708334 4.609836 -0.297313
H 0.245688 4.418865 2.170553


