%chk=000268822.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268822

0 1
S -3.245671 1.193068 -0.947650
O -3.463062 -0.182447 0.008619
O -0.635965 -4.025910 -2.163726
O 2.717477 -2.373764 1.085672
O -2.844695 2.245039 -0.037067
O -4.453661 1.298259 -1.714617
N -0.681401 -1.516458 0.540959
C -2.032697 -1.675756 1.169125
C 0.336015 -1.052152 1.547054
C -0.246344 -2.784497 -0.125447
C -2.728543 -0.299073 1.249293
C 1.482719 -0.385027 0.830605
C -0.593271 -2.681307 -1.629615
C 1.396327 0.964996 0.354180
C -3.757342 -0.227035 2.368460
C 2.667737 -1.073316 0.621473
C 2.513401 1.549275 -0.306727
C 0.491920 -1.991477 -2.442584
C 0.216869 1.759335 0.519601
C 3.797273 -0.501468 -0.033563
C 3.711192 0.789377 -0.487438
C 2.425275 2.896936 -0.782889
C 0.154649 3.045096 0.047195
C 1.276196 3.626427 -0.612988
C -1.904047 0.736429 -1.937226
H -2.664980 -2.333724 0.527163
H -2.000491 -2.156187 2.168436
H 0.721389 -1.885082 2.182698
H -0.136393 -0.328689 2.249301
H 0.852148 -2.941739 -0.008151
H -0.707039 -3.695857 0.307277
H -1.984213 0.538886 1.331608
H -1.590828 -2.213829 -1.782804
H -4.238063 0.762168 2.390538
H -4.563884 -0.956983 2.216550
H -3.313875 -0.401472 3.353036
H 0.839486 -1.075405 -1.947105
H 1.359643 -2.655351 -2.568185
H 0.142911 -1.740213 -3.449625
H -0.655804 1.324421 1.025244
H 4.700405 -1.090655 -0.163535
H 4.557304 1.256550 -0.993289
H 3.291664 3.329706 -1.281704
H -1.440634 -4.490130 -1.877130
H -0.763934 3.629038 0.168816
H 1.201927 4.651665 -0.970831
H -1.217062 0.023815 -1.424612
H -2.187982 0.245235 -2.878878
H -1.252362 1.579970 -2.214834
H 3.602717 -2.784486 0.932123


%chk=000268822-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268822

0 1
S -3.741039 1.294093 -0.715236
O -3.253658 -0.443475 -0.176362
O -0.292736 -3.707570 -2.435467
O 2.912385 -2.385673 1.888880
O -2.673911 2.339952 -0.072485
O -5.325521 1.557246 -0.512047
N -0.503523 -1.496507 0.636586
C -1.827065 -1.759484 1.225005
C 0.474900 -0.984191 1.645065
C -0.002904 -2.566061 -0.253462
C -2.779150 -0.533970 1.228364
C 1.761450 -0.440379 1.044483
C -0.642990 -2.493042 -1.663728
C 1.801877 0.821439 0.342332
C -3.970001 -0.687322 2.184849
C 2.963630 -1.146738 1.210300
C 3.064183 1.332700 -0.159262
C -0.123328 -1.309488 -2.479222
C 0.622126 1.608829 0.120384
C 4.212246 -0.652995 0.713955
C 4.257204 0.566315 0.044014
C 3.099749 2.594071 -0.840230
C 0.685624 2.837343 -0.541974
C 1.933992 3.339342 -1.028052
C -3.369591 0.993731 -2.549146
H -2.332518 -2.569271 0.667516
H -1.747379 -2.106561 2.284071
H 0.731985 -1.773428 2.385730
H -0.032664 -0.171571 2.201118
H 1.089678 -2.460119 -0.363135
H -0.184390 -3.584766 0.177731
H -2.201611 0.382988 1.464239
H -1.747414 -2.420614 -1.557896
H -4.662776 0.166286 2.083369
H -4.533422 -1.611886 1.965662
H -3.622937 -0.725900 3.234012
H -0.240732 -0.381227 -1.893866
H 0.949379 -1.449530 -2.702347
H -0.664990 -1.224745 -3.438108
H -0.350239 1.240246 0.453303
H 5.128460 -1.238874 0.866091
H 5.210718 0.951740 -0.334995
H 4.063276 2.965660 -1.210039
H -0.594033 -4.505746 -1.929399
H -0.236489 3.410583 -0.686114
H 1.970114 4.304293 -1.545521
H -2.305879 0.731525 -2.605216
H -4.022597 0.165646 -2.854600
H -3.611293 1.933891 -3.063941
H 3.816205 -2.780585 1.957595


