%chk=000250599.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250599

0 1
S -2.639851 -3.140645 -0.681026
O 4.087138 -2.281916 1.462306
O 3.563875 -0.478787 2.914179
O -1.698427 1.922212 0.345158
O -3.455011 -0.205196 1.931188
C 0.652347 -0.927345 -1.902084
C -0.813874 -1.330424 -1.670686
C 1.405596 -0.766895 -0.609937
C -0.924238 -2.752804 -1.141575
C 2.417307 -1.710200 -0.283800
C 3.068943 -1.513540 0.911677
C 1.103050 0.292207 0.249079
C 2.753785 -0.430101 1.782797
C -0.758056 2.838250 -1.599040
C 1.774772 0.487721 1.475883
C -2.852358 -2.285821 0.902449
C -1.789246 3.099323 -0.502955
C -1.385177 2.285683 -2.884023
C -3.382800 -0.881778 0.653031
C -2.525455 2.001698 1.531497
C -2.338179 0.650075 2.225976
C 4.427157 -1.648213 2.740164
C -0.320478 1.922596 -3.915420
H 0.678997 0.033545 -2.476627
H 1.147412 -1.667941 -2.561393
H -1.376184 -1.228553 -2.621039
H -1.291025 -0.607599 -0.965802
H -0.248726 -2.916941 -0.279891
H -0.635899 -3.496151 -1.911116
H 2.661009 -2.537856 -0.941841
H 0.309473 1.006579 -0.026430
H -0.009037 2.108933 -1.198659
H -0.190042 3.761938 -1.816001
H 1.528891 1.317386 2.131523
H -1.912683 -2.261345 1.484227
H -3.566173 -2.877401 1.511207
H -2.822002 3.183851 -0.880095
H -1.541151 3.991124 0.097697
H -2.086416 3.027809 -3.313178
H -1.996599 1.391606 -2.644580
H -2.758609 -0.303531 -0.061317
H -4.436092 -0.879353 0.316291
H -2.178784 2.843873 2.153262
H -3.579422 2.155939 1.237277
H -2.397393 0.741701 3.326547
H -1.381919 0.176688 1.934992
H 5.464736 -1.295981 2.674540
H 4.195101 -2.362150 3.541021
H 0.354289 1.137094 -3.531893
H -0.773377 1.543921 -4.838473
H 0.299410 2.785211 -4.183685


%chk=000250599-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250599

0 1
S -2.614892 -3.029317 -0.968530
O 4.508549 -2.400537 1.657474
O 3.711850 -0.823597 3.290465
O -1.758098 1.959371 0.218337
O -3.783611 0.032841 1.653443
C 1.071540 -0.987128 -1.807453
C -0.455847 -1.281061 -1.755873
C 1.735889 -0.917467 -0.433857
C -0.766085 -2.698343 -1.247890
C 2.834155 -1.774746 -0.125701
C 3.412823 -1.660776 1.140746
C 1.273253 0.009363 0.539614
C 2.946183 -0.737817 2.097277
C -0.977807 2.975894 -1.861037
C 1.873526 0.114414 1.824514
C -2.884242 -2.052115 0.638586
C -1.574652 3.248250 -0.476460
C -1.940157 2.239903 -2.820836
C -3.560082 -0.693616 0.382906
C -2.405055 2.124483 1.530041
C -2.614511 0.750724 2.172525
C 4.704625 -1.904327 3.046374
C -1.285909 1.917048 -4.180836
H 1.212895 -0.021317 -2.334481
H 1.572861 -1.756368 -2.426541
H -0.891787 -1.150964 -2.765097
H -0.940670 -0.532537 -1.103707
H -0.249544 -2.910038 -0.295197
H -0.459345 -3.465353 -1.981892
H 3.212811 -2.496373 -0.855533
H 0.427323 0.667019 0.304510
H -0.045802 2.388916 -1.736248
H -0.681851 3.947698 -2.306912
H 1.518079 0.834817 2.566192
H -1.895839 -1.935387 1.116935
H -3.513243 -2.681946 1.288546
H -2.558114 3.762031 -0.567373
H -0.899038 3.894671 0.127179
H -2.842031 2.865679 -2.980306
H -2.287759 1.306562 -2.340038
H -2.970734 -0.074616 -0.316972
H -4.569735 -0.844519 -0.034618
H -1.759325 2.751800 2.187943
H -3.386779 2.631759 1.412404
H -2.828455 0.891272 3.247515
H -1.684428 0.152787 2.075320
H 5.721506 -1.485353 3.137254
H 4.516361 -2.731963 3.752943
H -0.402510 1.263134 -4.048459
H -1.991545 1.397395 -4.854216
H -0.946144 2.838248 -4.691576


