%chk=000271531.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271531

0 1
O 0.281168 0.447942 -0.525932
C 1.353818 0.136202 0.447844
C 2.467950 1.102133 0.062600
C 1.723284 -1.314607 0.162714
C 0.933900 0.377395 1.875191
C -1.031231 0.350436 -0.135476
C -1.415219 0.360915 1.249833
C -0.349974 0.465619 2.243550
C -1.958082 0.304194 -1.156657
C -2.755471 0.301284 1.563106
C -3.342503 0.249470 -0.829639
C -3.745053 0.240924 0.535801
C 3.802490 0.774994 0.344149
C 1.811074 -1.729919 -1.175551
C 2.161916 2.327716 -0.542850
C 1.979971 -2.229663 1.191007
C -4.347716 0.195573 -1.850634
C -5.140300 0.176404 0.850962
C 4.822452 1.673387 0.021601
C 2.154502 -3.048539 -1.480221
C 3.186796 3.221556 -0.867240
C 2.327197 -3.549033 0.881738
C 4.516729 2.897100 -0.584104
C 2.415451 -3.960022 -0.451265
C -5.675792 0.135196 -1.515530
C -6.079756 0.125062 -0.146803
H 1.756027 0.479849 2.582302
H -0.647812 0.634583 3.278785
H -1.636714 0.304204 -2.194942
H -3.080510 0.302378 2.604014
H 4.047146 -0.181109 0.806619
H 1.598629 -1.014036 -1.972594
H 1.121640 2.574306 -0.766704
H 1.905471 -1.928021 2.234633
H -4.030610 0.203008 -2.892095
H -5.437842 0.168870 1.898721
H 5.857900 1.418226 0.239928
H 2.218164 -3.366523 -2.519414
H 2.945876 4.171709 -1.340900
H 2.525279 -4.257683 1.683813
H 5.313736 3.594262 -0.835548
H 2.684144 -4.987642 -0.688833
H -6.444865 0.093765 -2.286032
H -7.141656 0.075833 0.084549


%chk=000271531-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271531

0 1
O 0.271702 0.608032 -0.585044
C 1.401990 0.233375 0.353543
C 2.565094 1.171768 -0.023308
C 1.722081 -1.252102 0.083850
C 1.006960 0.511300 1.800808
C -1.050105 0.394432 -0.164332
C -1.386336 0.419274 1.239698
C -0.293889 0.590717 2.197380
C -2.033204 0.266146 -1.141357
C -2.732554 0.313571 1.611689
C -3.412062 0.152631 -0.768494
C -3.771569 0.175574 0.638151
C 3.881652 0.851593 0.395078
C 2.327683 -1.614062 -1.148296
C 2.334533 2.390447 -0.703592
C 1.359139 -2.272439 0.994966
C -4.453414 0.015555 -1.744643
C -5.152781 0.063368 1.006836
C 4.951704 1.733484 0.130585
C 2.569771 -2.967548 -1.458030
C 3.407931 3.269228 -0.975274
C 1.607281 -3.630602 0.688332
C 4.719291 2.946934 -0.558190
C 2.212828 -3.983026 -0.537792
C -5.791128 -0.092555 -1.354244
C -6.145753 -0.067738 0.032711
H 1.832263 0.642482 2.508399
H -0.544329 0.788156 3.246589
H -1.742347 0.257237 -2.196796
H -2.999538 0.339600 2.676182
H 4.072668 -0.095755 0.913199
H 2.601709 -0.829105 -1.861732
H 1.318292 2.633824 -1.024234
H 0.880856 -2.006322 1.943578
H -4.183814 -0.003001 -2.807224
H -5.420110 0.082059 2.070545
H 5.964725 1.471903 0.456563
H 3.035089 -3.233270 -2.413876
H 3.218267 4.206400 -1.510896
H 1.323293 -4.410308 1.404097
H 5.549864 3.630421 -0.767597
H 2.403354 -5.035395 -0.777006
H -6.577204 -0.196204 -2.110532
H -7.198281 -0.152381 0.324201


