%chk=000277388.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277388

0 1
S 4.792591 -1.502388 -1.799895
F 6.195482 -0.935853 -2.269550
O 5.091647 -2.847284 -1.412735
O 3.925578 -1.179338 -2.892514
N -3.110952 -0.575025 0.188809
N -2.633999 -2.995092 0.615958
N -4.869719 -2.053905 0.952040
N -5.416688 0.154793 0.369076
N -4.447039 -4.374153 1.237063
C -2.074350 -1.731871 0.127702
C 0.533784 3.969236 0.402747
C -0.949240 3.861853 0.791385
C -2.745138 0.713287 -0.364633
C 1.294421 2.662233 0.658054
C -1.691733 2.875623 -0.069300
C -1.640358 -1.909758 -1.333750
C -0.896436 -1.339097 1.031557
C -2.060104 1.627084 0.450668
C 2.789677 2.815094 0.338093
C -4.449042 -0.858174 0.511951
C -3.083915 1.040121 -1.687615
C -2.023390 3.202976 -1.393862
C 3.514498 1.509807 0.512896
C -2.714937 2.288842 -2.192532
C -3.913840 -3.113281 0.926095
C 3.781133 0.693800 -0.596245
C 3.927111 1.089579 1.788678
C 4.459670 -0.517294 -0.428687
C 4.596262 -0.126099 1.952569
C 4.865535 -0.933103 0.842968
H 0.620112 4.251981 -0.665412
H 0.997546 4.796846 0.974652
H -1.036460 3.591780 1.863741
H -1.423728 4.862500 0.707001
H 1.164093 2.342312 1.709632
H 0.857951 1.849130 0.042136
H -0.961226 -2.771580 -1.418277
H -2.492450 -2.126168 -1.988870
H -1.118530 -1.033658 -1.728736
H -0.203089 -2.189410 1.117186
H -0.336517 -0.487305 0.636765
H -1.228221 -1.101123 2.048151
H -1.813340 1.360340 1.477120
H 2.915966 3.196045 -0.696949
H 3.240210 3.594228 0.987227
H -3.627472 0.327660 -2.307469
H -1.739706 4.171252 -1.801526
H -2.969163 2.550302 -3.220382
H 3.448931 1.004862 -1.593627
H 3.721722 1.716361 2.658045
H -6.326141 -0.047781 0.776361
H -5.124158 1.116493 0.472158
H 4.909254 -0.446813 2.946319
H 5.385730 -1.888554 0.974939
H -3.785484 -5.091419 1.502510
H -5.319441 -4.385595 1.747313


%chk=000277388-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277388

0 1
S 3.944914 -2.138101 -0.981875
F 5.341463 -1.592561 -2.091134
O 4.411492 -3.528041 -0.324578
O 2.614039 -2.011807 -1.875457
N -2.916223 -0.567192 -0.191953
N -1.967143 -2.790467 0.359614
N -4.222541 -2.138127 1.082053
N -5.045916 0.008229 0.691782
N -3.199592 -4.074684 1.885986
C -1.971152 -1.712740 -0.639089
C 0.468417 4.051145 0.622105
C -1.064685 3.979844 0.891668
C -2.689195 0.798212 -0.594427
C 1.209850 2.729437 0.918288
C -1.793304 3.037355 -0.057108
C -2.479681 -2.261948 -2.001248
C -0.535756 -1.169078 -0.771266
C -2.069507 1.698233 0.310248
C 2.730359 2.826054 0.608190
C -4.048783 -0.932868 0.523129
C -3.067824 1.252043 -1.884021
C -2.169989 3.472138 -1.356228
C 3.463881 1.523422 0.880690
C -2.804356 2.589459 -2.258191
C -3.084462 -2.974907 1.052660
C 3.392115 0.455677 -0.051235
C 4.206253 1.325218 2.074885
C 4.057837 -0.737806 0.258807
C 4.860689 0.102783 2.350982
C 4.798996 -0.965740 1.428690
H 0.637231 4.340192 -0.435187
H 0.899329 4.861075 1.245378
H -1.226719 3.663139 1.940353
H -1.482670 5.000583 0.795454
H 1.069979 2.453407 1.983158
H 0.767985 1.909194 0.320452
H -1.854859 -3.122759 -2.295543
H -3.525030 -2.607181 -1.908881
H -2.415430 -1.494896 -2.794817
H 0.122724 -2.003275 -1.061706
H -0.460736 -0.378925 -1.538963
H -0.184849 -0.777992 0.199844
H -1.797875 1.329114 1.306158
H 2.854084 3.114426 -0.454109
H 3.172682 3.639228 1.215307
H -3.560928 0.562017 -2.576508
H -1.970666 4.508294 -1.657086
H -3.097641 2.942619 -3.253177
H 2.825706 0.555238 -0.983831
H 4.272050 2.145196 2.799448
H -5.834301 -0.260740 1.274492
H -5.028950 0.903571 0.211209
H 5.425226 -0.021674 3.280412
H 5.293711 -1.924059 1.612521
H -2.443156 -4.751506 1.919136
H -4.024193 -4.162171 2.471519


