%chk=000245709.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245709

0 1
S -0.522825 2.339688 0.455811
O -3.985757 -1.789652 0.596098
O 4.459455 -0.652258 -0.440670
N -2.186902 0.315051 -0.108499
C -3.111079 0.451969 1.065446
C -2.821377 -0.544944 -1.164336
C -3.410026 -0.949490 1.618495
C -3.125120 -1.922043 -0.552449
C -1.796416 1.634109 -0.656065
C 0.908942 1.373032 0.157080
C 0.935070 0.018580 0.490802
C 2.040602 2.017790 -0.364588
C 2.107773 -0.722561 0.306404
C 3.218005 1.302136 -0.546408
C 3.235795 -0.068911 -0.206336
C 4.615885 -2.056144 -0.121195
H -4.061154 0.967564 0.809068
H -2.603163 1.062423 1.845800
H -2.104015 -0.658539 -2.004800
H -3.753614 -0.104193 -1.577664
H -2.501495 -1.436931 2.013390
H -4.202938 -0.934726 2.386541
H -3.726095 -2.555113 -1.228362
H -2.201959 -2.447826 -0.251448
H -2.606765 2.392438 -0.700615
H -1.375039 1.524444 -1.676829
H 0.038116 -0.470205 0.885724
H 2.002823 3.077496 -0.625965
H 2.126913 -1.775357 0.562505
H 4.117467 1.767497 -0.941528
H 3.940043 -2.662122 -0.731075
H 4.461318 -2.221777 0.948846
H 5.663132 -2.233524 -0.399379


%chk=000245709-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245709

0 1
S -0.677731 1.783514 1.361952
O -3.344289 -1.768695 0.666826
O 4.192919 -0.929657 -1.059913
N -2.820612 0.832037 -0.512821
C -3.984296 0.607428 0.374961
C -2.339103 -0.411533 -1.157007
C -3.710462 -0.531554 1.384970
C -2.122627 -1.549539 -0.132078
C -1.935576 1.899272 -0.258474
C 0.771547 0.932020 0.627116
C 1.221036 -0.297749 1.165000
C 1.492711 1.508579 -0.454073
C 2.362877 -0.949854 0.642641
C 2.616155 0.859322 -0.997630
C 3.056464 -0.373223 -0.449966
C 4.704294 -2.186921 -0.510812
H -4.853824 0.325664 -0.251748
H -4.225581 1.546246 0.905694
H -1.399444 -0.203071 -1.699273
H -3.103726 -0.738553 -1.889929
H -2.893341 -0.239198 2.076493
H -4.618770 -0.784126 1.957107
H -1.933364 -2.507621 -0.644762
H -1.271264 -1.310233 0.535663
H -2.470127 2.826983 -0.002499
H -1.225480 2.055217 -1.084452
H 0.683345 -0.742111 2.009688
H 1.188165 2.483287 -0.851768
H 2.689551 -1.893495 1.090003
H 3.179357 1.296464 -1.827868
H 3.955423 -2.998759 -0.595828
H 5.005870 -2.071260 0.548647
H 5.585502 -2.430981 -1.122062


