%chk=000186747.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186747

0 1
S -3.010669 -1.417766 0.670924
S 3.627441 0.258781 -0.904737
F 3.915548 2.852507 -0.351565
F 2.028687 2.080762 0.243620
F 3.761131 1.644418 1.387854
O -3.280567 -1.548167 2.094667
O -3.496444 -2.425514 -0.258236
O 2.894858 0.478506 -2.112730
O 5.043946 0.054833 -0.888845
N 2.914640 -0.992347 -0.010689
C 1.483602 -1.103141 0.141255
C 0.695942 -1.602498 -0.922210
C -1.279547 -1.298832 0.470799
C -0.694535 -1.687418 -0.731827
C 0.891942 -0.739385 1.365504
C -0.489191 -0.842227 1.527094
C -3.587491 0.134916 0.146780
C 1.289239 -2.034444 -2.218092
C 3.746082 -1.715062 0.985165
C 3.320548 1.760533 0.130623
C -3.900980 0.345046 -1.198767
C -3.760643 1.163573 1.076834
C -4.362738 1.595283 -1.621809
C -4.222307 2.414907 0.657211
C -4.519450 2.630158 -0.693144
H -1.319925 -2.087459 -1.539663
H 1.506621 -0.381386 2.190582
H -0.946735 -0.575768 2.486274
H 0.591896 -2.616789 -2.834214
H 1.598515 -1.157815 -2.822222
H 2.185820 -2.654736 -2.074285
H 3.370913 -2.748976 1.100083
H 3.738477 -1.236788 1.978654
H 4.793922 -1.782288 0.631593
H -3.799222 -0.470650 -1.922198
H -3.548708 0.988324 2.137081
H -4.604708 1.760751 -2.670508
H -4.355672 3.217555 1.380750
H -4.878941 3.606004 -1.022007


%chk=000186747-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186747

0 1
S -3.107677 -1.468217 0.635725
S 3.673525 0.247740 -1.081870
F 5.029797 2.232201 0.619155
F 3.195765 3.086988 -0.423653
F 2.943359 1.702998 1.366419
O -3.370874 -1.614508 2.245757
O -3.634400 -2.550999 -0.473702
O 2.626382 0.643445 -2.249014
O 5.226023 -0.069721 -1.399903
N 2.955272 -1.359370 -0.039945
C 1.546023 -1.314610 0.131201
C 0.735124 -1.746395 -0.980758
C -1.218160 -1.366242 0.423313
C -0.671036 -1.764081 -0.801880
C 0.941765 -0.941500 1.372356
C -0.451692 -0.976143 1.535242
C -3.764795 0.235010 0.114250
C 1.335054 -2.212945 -2.285876
C 3.850387 -1.510800 1.134208
C 3.721280 1.978014 0.221866
C -4.124640 0.415429 -1.230276
C -3.916371 1.212266 1.110165
C -4.640068 1.678859 -1.603133
C -4.434012 2.468613 0.716743
C -4.786396 2.700150 -0.634298
H -1.328709 -2.126424 -1.599736
H 1.570209 -0.628096 2.211054
H -0.935630 -0.732301 2.486179
H 0.658432 -2.916905 -2.798306
H 1.514020 -1.352207 -2.956861
H 2.311933 -2.696883 -2.121345
H 3.682356 -2.526965 1.533754
H 3.699910 -0.780173 1.953494
H 4.893060 -1.452503 0.779451
H -4.030590 -0.407382 -1.946754
H -3.666291 0.987669 2.152402
H -4.931800 1.860051 -2.642668
H -4.567761 3.257993 1.463549
H -5.187478 3.675346 -0.930708


