%chk=000197539.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197539

0 1
F -2.749634 -3.577169 -1.182428
F 6.958297 -3.702275 0.994510
O -1.668835 -1.214347 1.273171
O 5.082765 1.600762 -1.774075
N 0.736717 2.565497 0.344277
N -3.025652 0.525492 0.399412
N -3.951980 -1.549967 0.753321
C -2.028200 1.618537 0.240546
C -1.300956 1.863045 1.576041
C -1.000867 1.255725 -0.849218
C -0.244494 2.964517 1.407570
C 0.049349 2.368894 -0.973941
C 1.843353 3.573832 0.241780
C -4.377245 0.576810 -0.041180
C -2.718453 -0.805481 0.832042
C -4.952559 -0.729176 0.158788
C 3.030310 3.000852 -0.550870
C -5.137206 1.615117 -0.568383
C -3.984005 -3.022609 0.772997
C 3.556586 1.701647 0.065395
C -6.279361 -0.983519 -0.166951
C -6.473988 1.342850 -0.892304
C -7.032364 0.074558 -0.696220
C -4.001367 -3.651334 -0.627496
C 4.656229 1.083841 -0.761088
C 5.236440 -0.205085 -0.263880
C 4.540384 -1.054502 0.608981
C 6.518253 -0.562934 -0.719011
C 5.116299 -2.250269 1.043570
C 7.119152 -1.748784 -0.295245
C 6.397737 -2.565633 0.580983
H -2.592760 2.540456 -0.058826
H -2.015850 2.133304 2.372992
H -0.808108 0.919826 1.909768
H -0.498217 0.298889 -0.583267
H -1.495581 1.084500 -1.821385
H 0.315118 3.077869 2.362593
H -0.735305 3.939844 1.201410
H -0.419055 3.298972 -1.361463
H 0.820232 2.062597 -1.717368
H 2.181123 3.820619 1.273074
H 1.518404 4.530569 -0.221671
H 3.842063 3.754447 -0.596312
H 2.744432 2.817672 -1.607565
H -4.716637 2.604494 -0.723039
H -4.887896 -3.344795 1.341250
H -3.092115 -3.374065 1.355380
H 3.914869 1.879939 1.099550
H 2.705987 0.987062 0.180334
H -6.723735 -1.961616 -0.010795
H -7.090358 2.140801 -1.305423
H -8.075488 -0.097623 -0.958657
H -4.267762 -4.724957 -0.582460
H -4.688044 -3.126606 -1.320569
H 3.535771 -0.793066 0.951668
H 7.039459 0.101070 -1.417286
H 4.578290 -2.914722 1.718501
H 8.113156 -2.027066 -0.641926


%chk=000197539-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197539

0 1
F -3.230681 -3.716886 -1.645474
F 7.108517 -3.737822 1.195402
O -1.554722 -1.403407 0.712301
O 5.250294 1.689198 -1.679627
N 0.726809 2.597414 0.258975
N -3.004954 0.430714 0.128649
N -3.921105 -1.618089 0.388011
C -2.000831 1.516173 0.056944
C -1.316357 1.762499 1.422247
C -0.932924 1.244222 -1.028474
C -0.289300 2.904918 1.294931
C 0.090977 2.397617 -1.066930
C 1.831755 3.590536 0.232717
C -4.393129 0.560886 -0.083189
C -2.683969 -0.914303 0.434400
C -4.973000 -0.736150 0.082808
C 3.092080 3.074564 -0.495743
C -5.193222 1.675212 -0.390833
C -3.998462 -3.062697 0.579715
C 3.595964 1.754973 0.111867
C -6.358495 -0.939469 -0.044131
C -6.589679 1.469700 -0.525236
C -7.163626 0.186234 -0.351831
C -4.336435 -3.834595 -0.700389
C 4.771987 1.139785 -0.641406
C 5.362767 -0.145910 -0.126588
C 4.814861 -0.846530 0.982451
C 6.506801 -0.677150 -0.784138
C 5.392272 -2.052071 1.431318
C 7.099973 -1.876982 -0.349745
C 6.524313 -2.536530 0.752721
H -2.558287 2.432278 -0.223913
H -2.073450 2.022526 2.186206
H -0.804473 0.836459 1.737256
H -0.416873 0.297108 -0.793937
H -1.415052 1.140703 -2.018661
H 0.227464 3.047450 2.261923
H -0.829340 3.863589 1.063494
H -0.417065 3.340509 -1.408792
H 0.872625 2.164223 -1.810613
H 2.093807 3.817260 1.285423
H 1.506117 4.555684 -0.233628
H 3.880450 3.848303 -0.436897
H 2.899545 2.932445 -1.574658
H -4.763826 2.673371 -0.521808
H -4.757290 -3.303745 1.351484
H -3.009112 -3.384380 0.951378
H 3.890960 1.908442 1.171344
H 2.750175 1.037486 0.148699
H -6.811185 -1.926301 0.096929
H -7.234543 2.321644 -0.764972
H -8.246211 0.059202 -0.456463
H -4.464438 -4.909599 -0.475468
H -5.232148 -3.437033 -1.209797
H 3.928825 -0.462594 1.496458
H 6.909592 -0.124642 -1.638976
H 4.981756 -2.609212 2.278007
H 7.980198 -2.299925 -0.842137


