%chk=000200250.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200250

0 1
O -2.780289 -1.808092 -2.067919
O -4.999288 1.183781 0.970571
O 6.143724 -0.617918 -1.363339
N -5.026173 2.462614 -0.889491
C -1.684982 -0.472061 0.694562
C -0.974344 0.451852 -0.345197
C 0.377541 0.947011 0.185749
C 1.280442 -0.306115 0.396672
C -3.088005 -0.679205 0.029021
C -0.808522 -1.726788 0.868694
C 2.701388 0.106152 0.901807
C -2.051855 1.483327 -0.710639
C 0.600566 -1.323366 1.337190
C -3.356775 0.643378 -0.749347
C 1.029057 1.947700 -0.784421
C -1.918046 0.197803 2.058030
C 3.253168 1.083692 -0.138116
C 2.442701 2.337465 -0.325267
C 3.624925 -1.133313 1.059241
C 2.640560 0.807353 2.272484
C -3.119937 -1.879118 -0.906632
C -4.511252 1.416060 -0.124148
C 4.270735 -1.598652 -0.242920
C 4.327141 0.831936 -0.901260
C 5.044521 -0.457958 -0.878412
C -3.623885 -3.160731 -0.308613
H -0.778613 -0.158364 -1.268660
H 0.229379 1.454119 1.171303
H 1.420112 -0.800336 -0.597780
H -3.864802 -0.811274 0.825395
H -0.734769 -2.288682 -0.082477
H -1.258717 -2.420873 1.600815
H -1.853828 1.961357 -1.682274
H -2.103910 2.291419 0.039507
H 0.543363 -0.910147 2.362962
H 1.234037 -2.230901 1.412910
H -3.598611 0.393695 -1.813866
H 0.402565 2.855115 -0.867757
H 1.076876 1.516449 -1.804070
H -2.267111 -0.523689 2.804115
H -1.003690 0.660221 2.445896
H -2.684120 0.984760 2.002931
H 2.401864 2.920409 0.616824
H 2.906848 3.016104 -1.068550
H 3.054525 -1.970511 1.510157
H 4.429554 -0.899418 1.787302
H 2.387627 0.101866 3.071782
H 3.602903 1.264538 2.530378
H 1.882721 1.599699 2.293616
H 3.510384 -1.962530 -0.962705
H 4.943437 -2.460597 -0.061057
H 4.725072 1.556882 -1.611861
H -3.215910 -3.355462 0.690445
H -4.719472 -3.140825 -0.209852
H -3.379751 -4.022528 -0.947578
H -5.785849 3.019629 -0.529091
H -4.668426 2.720567 -1.789660


%chk=000200250-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200250

0 1
O -2.737047 -1.739382 -2.120098
O -4.948987 1.580747 0.861001
O 5.828707 -0.799038 -1.967050
N -5.310946 2.044096 -1.380409
C -1.694795 -0.427214 0.767148
C -0.958806 0.555525 -0.199797
C 0.424530 1.005830 0.320064
C 1.315395 -0.271152 0.504785
C -3.094857 -0.602727 0.018563
C -0.807078 -1.687262 0.928242
C 2.794591 0.095185 0.953129
C -2.028570 1.618783 -0.519063
C 0.615326 -1.308662 1.425800
C -3.305557 0.740648 -0.770244
C 1.081519 2.039131 -0.627699
C -2.013919 0.186397 2.159436
C 3.312004 1.091577 -0.095491
C 2.539796 2.388524 -0.200847
C 3.739011 -1.145044 1.018860
C 2.814605 0.743689 2.371794
C -3.118354 -1.815996 -0.917056
C -4.583821 1.471018 -0.350606
C 4.197053 -1.673304 -0.355317
C 4.298516 0.784485 -0.999622
C 4.877672 -0.565201 -1.159547
C -3.638630 -3.122951 -0.336525
H -0.780001 -0.010660 -1.142288
H 0.289353 1.493521 1.307525
H 1.400769 -0.735619 -0.504297
H -3.882679 -0.730940 0.783358
H -0.711799 -2.209909 -0.045779
H -1.258137 -2.403858 1.643638
H -1.783799 2.231112 -1.404400
H -2.181790 2.301245 0.337801
H 0.555280 -0.915815 2.458840
H 1.218583 -2.234241 1.476758
H -3.335753 0.492329 -1.848423
H 0.475347 2.964561 -0.654156
H 1.101395 1.631169 -1.659305
H -2.444868 -0.594236 2.814940
H -1.117646 0.584431 2.665432
H -2.764234 0.992036 2.085619
H 2.513955 2.926659 0.766286
H 3.001667 3.061645 -0.945284
H 3.261541 -1.953776 1.601084
H 4.642150 -0.847864 1.589341
H 2.607163 -0.022432 3.140930
H 3.813964 1.165393 2.584741
H 2.075145 1.552364 2.495871
H 3.331901 -2.038527 -0.946489
H 4.896862 -2.521171 -0.252879
H 4.650578 1.540649 -1.713739
H -3.184871 -3.331823 0.648871
H -4.730748 -3.036938 -0.171455
H -3.444473 -3.957955 -1.027568
H -6.149246 2.578556 -1.151562
H -5.036161 1.939892 -2.355460


