%chk=000250443.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250443

0 1
S 3.898044 0.439000 1.355412
S -4.097413 0.647210 -1.303724
O 2.497872 0.543655 0.409350
O -2.773723 1.087736 -0.345449
O 3.581142 -0.493713 2.409753
O 4.246063 1.797931 1.703950
O -3.534593 -0.050913 -2.435007
O -4.847032 1.860728 -1.534542
C 0.358996 1.327162 -0.163088
C -0.798584 2.272182 0.167357
C 1.422911 1.353487 0.934472
C -1.938794 2.157049 -0.844208
C 4.981989 -0.217623 0.203695
C -4.906742 -0.401778 -0.219018
C 4.786832 -1.495577 -0.339223
C -4.317951 -1.596565 0.219086
C 6.082407 0.562061 -0.186752
C -6.187016 -0.033661 0.224506
C 7.006247 0.072517 -1.111869
C -6.899117 -0.857288 1.098260
C 5.722120 -1.987536 -1.273139
C -5.040081 -2.426681 1.101373
C 6.814304 -1.216281 -1.652008
C -6.310173 -2.063195 1.532570
C 3.613081 -2.323828 0.049150
C -2.952652 -1.987729 -0.225323
C 8.182489 0.890250 -1.532563
C -8.262791 -0.479124 1.574285
H -0.016237 0.291675 -0.296072
H 0.826387 1.595186 -1.132526
H -0.443484 3.320449 0.209980
H -1.203854 2.041269 1.177445
H 1.809269 2.373390 1.125544
H 1.067340 0.895275 1.875808
H -1.587690 1.892938 -1.859091
H -2.552599 3.078209 -0.881843
H 6.214121 1.564476 0.239815
H -6.628223 0.910423 -0.119265
H 5.583504 -2.979699 -1.700619
H -4.595031 -3.358622 1.447555
H 7.531189 -1.607895 -2.375473
H -6.859058 -2.713859 2.215267
H 2.662703 -1.836103 -0.236611
H 3.611164 -3.320544 -0.408272
H 3.559236 -2.475371 1.146087
H -2.873874 -2.028893 -1.330192
H -2.194869 -1.253458 0.106574
H -2.634452 -2.967287 0.151550
H 8.175021 1.075342 -2.616621
H 8.213831 1.873244 -1.042650
H 9.129051 0.384490 -1.292633
H -8.602517 0.484001 1.168996
H -9.011803 -1.229567 1.282428
H -8.295261 -0.392147 2.670114


%chk=000250443-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250443

0 1
S 3.970514 1.103062 1.332252
S -4.346606 1.226686 -1.195563
O 2.334509 1.010569 0.418200
O -2.800085 1.590816 -0.203820
O 3.720362 0.677489 2.876808
O 4.650781 2.544306 1.025264
O -3.918140 1.067445 -2.751928
O -5.482374 2.318993 -0.812975
C 0.154597 1.909970 -0.048755
C -0.900010 2.998059 0.261808
C 1.397599 2.084702 0.834120
C -2.164850 2.875245 -0.600241
C 4.856651 -0.236294 0.337505
C -4.754235 -0.421471 -0.368336
C 4.479716 -1.592137 0.475918
C -3.943364 -1.556287 -0.598015
C 5.889479 0.240445 -0.482072
C -5.901284 -0.392486 0.439499
C 6.643743 -0.685587 -1.246381
C -6.316987 -1.582472 1.086653
C 5.250990 -2.495106 -0.301436
C -4.381933 -2.732004 0.067174
C 6.303497 -2.056831 -1.136442
C -5.532548 -2.746490 0.885470
C 3.350143 -2.077211 1.361748
C -2.698097 -1.558989 -1.461377
C 7.763862 -0.208062 -2.151877
C -7.568570 -1.605040 1.944039
H -0.281990 0.910255 0.122291
H 0.455235 1.965701 -1.112228
H -0.472308 4.004988 0.078488
H -1.191811 2.958246 1.328659
H 1.871004 3.072791 0.668353
H 1.144225 1.969950 1.906380
H -1.915344 2.851543 -1.679271
H -2.863332 3.708740 -0.395042
H 6.101972 1.315009 -0.518237
H -6.459810 0.543070 0.555658
H 5.013199 -3.563375 -0.244856
H -3.796362 -3.649385 -0.061153
H 6.870755 -2.795804 -1.714272
H -5.826009 -3.680406 1.379299
H 2.410399 -1.545138 1.128986
H 3.189492 -3.158645 1.221710
H 3.566817 -1.884715 2.427352
H -2.936600 -1.309087 -2.510033
H -1.974501 -0.800149 -1.112708
H -2.212858 -2.548071 -1.432469
H 7.367538 0.384931 -2.997443
H 8.474458 0.438675 -1.606081
H 8.330150 -1.055978 -2.572864
H -7.734852 -0.635652 2.444520
H -8.464894 -1.815528 1.329409
H -7.510235 -2.386889 2.720910


