%chk=000251377.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251377

0 1
S 2.297413 0.979682 -1.134775
O -2.151262 0.548818 -1.576803
O -2.990491 -1.514893 1.330953
O -3.998211 -0.810777 -2.107739
O -2.301392 1.848446 0.918251
O 1.025779 0.778097 -0.019842
O -4.875212 -2.828529 0.813720
O -0.902061 3.714134 0.978591
O 2.695599 2.359079 -0.989795
O 1.799742 0.486466 -2.390951
C -1.852553 -0.137505 -0.330147
C -3.200267 -0.682579 0.167524
C -1.237465 0.922217 0.600612
C -3.796658 -1.604848 -0.922703
C -0.083406 1.687929 -0.091964
C -5.147766 -2.129236 -0.424064
C 0.289614 2.958928 0.693487
C -2.757579 -0.261601 -2.583351
C -4.235111 -2.039246 1.820183
C -1.882054 2.971648 1.698280
C 3.435012 -0.089014 -0.440638
C 3.450318 -1.439835 -0.813897
C 4.356623 0.383085 0.503993
C 4.374760 -2.313968 -0.245691
C 5.283430 -0.486594 1.074892
C 5.297639 -1.844557 0.706832
C 6.295277 -2.774708 1.307466
H -1.107440 -0.942411 -0.524205
H -3.878019 0.165175 0.426610
H -0.892579 0.436744 1.544079
H -3.114107 -2.452647 -1.157441
H -0.347172 1.912959 -1.153444
H -5.889606 -1.330488 -0.262509
H -5.574995 -2.919153 -1.066321
H 0.821897 2.723464 1.630287
H 0.896735 3.665122 0.089101
H -2.078831 -1.065664 -2.905055
H -3.056030 0.458752 -3.365188
H -4.892259 -1.222264 2.153762
H -3.943113 -2.768632 2.594200
H -1.499967 2.646872 2.677380
H -2.768755 3.628909 1.722334
H 2.738323 -1.811079 -1.560522
H 4.355112 1.441545 0.790652
H 4.382378 -3.362248 -0.540935
H 5.998535 -0.113185 1.806471
H 6.587389 -2.482250 2.326302
H 5.927829 -3.809369 1.366384
H 7.218161 -2.797691 0.705034


%chk=000251377-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251377

0 1
S 1.608454 -0.174610 -1.024272
O -1.777599 0.599626 -1.484431
O -3.620427 -1.180888 1.243548
O -3.599765 -0.662786 -2.472729
O -2.405937 2.028149 1.028396
O 0.991876 0.466117 0.650960
O -5.480622 -2.402509 0.259841
O -0.705976 3.585511 1.755012
O 1.738600 1.095952 -2.020180
O 0.755515 -1.485467 -1.457534
C -1.932537 -0.056259 -0.162204
C -3.410027 -0.443645 -0.020607
C -1.435716 0.913135 0.906689
C -3.817464 -1.365268 -1.197275
C -0.045154 1.513428 0.579860
C -5.298049 -1.741725 -1.054819
C 0.347720 2.558669 1.651699
C -2.182786 -0.296635 -2.561718
C -5.038649 -1.529681 1.340114
C -1.981060 2.952417 2.066960
C 3.293347 -0.720329 -0.422867
C 3.445914 -2.052102 -0.007017
C 4.334066 0.221930 -0.426981
C 4.726549 -2.454252 0.430308
C 5.603489 -0.209783 0.013504
C 5.818474 -1.545738 0.447772
C 7.195603 -2.001620 0.890800
H -1.303289 -0.971726 -0.133751
H -4.028918 0.477415 -0.034038
H -1.384694 0.368316 1.875082
H -3.193608 -2.285230 -1.154176
H -0.072953 1.984113 -0.421122
H -5.932709 -0.832914 -1.124102
H -5.616180 -2.475608 -1.809812
H 0.487327 2.054169 2.632387
H 1.268981 3.089919 1.370842
H -1.555963 -1.213831 -2.527335
H -2.063300 0.267464 -3.495588
H -5.640819 -0.591491 1.330752
H -5.160034 -2.100578 2.270270
H -1.895023 2.407917 3.037675
H -2.728957 3.755737 2.099912
H 2.601549 -2.747496 -0.036543
H 4.163641 1.245682 -0.774286
H 4.877239 -3.487292 0.762940
H 6.436734 0.501686 0.020856
H 7.777635 -1.172351 1.328143
H 7.135017 -2.811460 1.637965
H 7.773689 -2.390979 0.030501


