%chk=000291618.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291618

0 1
O -1.507171 3.068123 0.121691
O -4.777353 -0.342643 -0.100358
O 1.946983 -3.730856 0.243880
O 4.647012 1.860167 -0.147825
O -2.419225 -3.353209 0.655855
O 2.824449 2.736310 0.850537
N 0.606839 1.014426 0.166411
N -0.189429 -1.685512 0.106566
C -0.704570 0.688225 0.127211
C -1.126655 -0.701153 0.110278
C -3.073563 1.391319 0.024613
C -1.725554 1.733242 0.090056
C -2.525151 -1.029452 0.086643
C 1.541043 0.028382 0.227566
C 1.119730 -1.357961 0.186792
C -3.436909 0.008751 0.034062
C 2.943344 0.348938 0.314288
C 2.147746 -2.397240 0.234961
C -4.112844 2.454594 -0.088765
C 3.870157 -0.674029 0.330845
C 3.484124 -2.033929 0.296040
C -3.004399 -2.438410 0.120516
C 3.371326 1.759313 0.396895
C -0.158418 3.623854 0.108243
C -5.572406 -0.188297 1.105497
C 0.607323 -4.304008 0.155702
C 5.258118 3.175389 -0.122102
H -4.379162 2.863806 0.895971
H -3.746764 3.302449 -0.692013
H -5.026972 2.080024 -0.572274
H 4.941142 -0.437465 0.378009
H 4.248105 -2.812346 0.324502
H -3.978362 -2.588650 -0.379756
H 0.350628 3.354002 -0.821215
H 0.421150 3.281645 0.977725
H -0.379815 4.695652 0.163146
H -5.240375 -0.918269 1.850615
H -6.581858 -0.418461 0.741631
H -5.512845 0.832738 1.491434
H -0.034332 -3.945964 0.973826
H 0.833618 -5.371923 0.251239
H 0.161636 -4.059727 -0.812884
H 5.353676 3.517416 0.913119
H 4.649339 3.873699 -0.704834
H 6.232540 2.995638 -0.587739


%chk=000291618-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291618

0 1
O -1.511243 3.062245 -0.157699
O -4.865363 -0.320449 0.123233
O 1.915036 -3.759466 0.131662
O 4.811245 1.868486 0.223429
O -2.409409 -3.497648 0.615106
O 2.741921 2.824028 0.674685
N 0.582911 1.021767 0.082155
N -0.196004 -1.702558 0.130739
C -0.732186 0.672688 0.050459
C -1.150888 -0.728461 0.135198
C -3.119858 1.365731 -0.033548
C -1.749297 1.709675 -0.060387
C -2.553608 -1.075556 0.197332
C 1.539206 0.050456 0.189634
C 1.121837 -1.357189 0.153929
C -3.485091 -0.009805 0.113029
C 2.939975 0.391033 0.295771
C 2.136082 -2.404245 0.160452
C -4.166452 2.446723 -0.183013
C 3.871289 -0.666067 0.313373
C 3.488554 -2.025338 0.243552
C -3.071750 -2.453254 0.346082
C 3.412814 1.793606 0.418964
C -0.179973 3.675634 -0.413123
C -5.523824 -0.189045 1.440240
C 0.595919 -4.396323 -0.132182
C 5.393300 3.218167 0.378232
H -4.242386 3.065483 0.731410
H -3.883647 3.137865 -0.995129
H -5.151056 2.007508 -0.404876
H 4.932392 -0.416012 0.387148
H 4.241351 -2.818063 0.261841
H -4.173155 -2.520981 0.193472
H 0.221852 3.315811 -1.375165
H 0.542989 3.432340 0.376439
H -0.407634 4.751980 -0.460778
H -5.091521 -0.910466 2.160007
H -6.584587 -0.420631 1.263358
H -5.420390 0.838185 1.837610
H -0.168904 -4.084328 0.591237
H 0.821137 -5.472025 -0.071077
H 0.244569 -4.124886 -1.141941
H 5.203524 3.607563 1.393108
H 4.956520 3.913288 -0.358814
H 6.469699 3.081130 0.201447


