%chk=000250128.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250128

0 1
S 0.001338 -1.088394 0.085591
O -1.852667 -0.002653 1.649084
O 1.852955 -0.198895 -1.599730
O -3.715537 -1.029837 0.883838
O 3.718093 -1.119943 -0.714341
C -4.582486 1.908572 0.448604
C 4.578143 1.851682 -0.643431
C -3.182758 1.288492 0.232477
C 3.179803 1.259604 -0.352663
C -4.886763 2.059580 1.942249
C -5.662225 1.083649 -0.255017
C 4.882413 1.818699 -2.144327
C 5.659625 1.121994 0.156177
C -3.023636 -0.039550 0.908520
C 3.023903 -0.141798 -0.860391
C -1.420332 -1.226830 2.306819
C 1.423571 -1.495626 -2.102003
C -0.864550 -2.178438 1.263643
C 0.869724 -2.313052 -0.949729
H -4.557841 2.929635 -0.012160
H 4.551021 2.921568 -0.311639
H -2.395961 1.991649 0.584896
H -2.989291 1.147843 -0.853898
H 2.391458 1.912300 -0.788761
H 2.986413 1.253073 0.742774
H -5.009265 1.085043 2.431405
H -4.088485 2.593869 2.468114
H -5.817177 2.615616 2.102169
H -5.652663 0.036700 0.088557
H -6.663174 1.480683 -0.059142
H -5.518112 1.064761 -1.339652
H 5.007313 0.791726 -2.510017
H 4.083005 2.282429 -2.731822
H 5.811556 2.353059 -2.371425
H 5.652554 0.040734 -0.056110
H 6.659703 1.494248 -0.087085
H 5.515328 1.236240 1.234918
H -2.273333 -1.661278 2.860153
H -0.654735 -0.840935 3.006788
H 2.277688 -1.992837 -2.597778
H 0.657252 -1.200437 -2.844043
H -1.676305 -2.728737 0.747355
H -0.183828 -2.924048 1.707047
H 1.682594 -2.793993 -0.369849
H 0.190670 -3.108966 -1.298063


%chk=000250128-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250128

0 1
S 0.006992 -0.072878 0.060299
O -2.847882 0.493179 1.354136
O 2.851411 0.339025 -1.316643
O -4.340568 -1.159449 0.665865
O 4.357930 -1.230720 -0.479473
C -6.154255 1.471715 0.734949
C 6.154197 1.385917 -0.901381
C -4.755850 1.216543 0.081159
C 4.783901 1.194007 -0.169719
C -6.032831 1.711729 2.258257
C -7.166870 0.346906 0.417858
C 5.975150 1.453656 -2.436515
C 7.189584 0.310180 -0.498922
C -4.007214 0.049731 0.696264
C 4.022976 -0.031809 -0.636012
C -2.005691 -0.560523 1.987507
C 2.000486 -0.775095 -1.821019
C -1.132642 -1.288719 0.965966
C 1.137013 -1.383793 -0.716653
H -6.526391 2.408396 0.270022
H 6.532112 2.371165 -0.557508
H -4.128714 2.119359 0.169321
H -4.901612 0.994315 -0.993137
H 4.147769 2.081273 -0.325006
H 4.973599 1.081845 0.914564
H -5.710975 0.790197 2.779176
H -5.298601 2.505900 2.487106
H -7.008673 2.011348 2.682253
H -6.823458 -0.621183 0.822111
H -8.152842 0.581523 0.860549
H -7.302584 0.224891 -0.673045
H 5.651892 0.475968 -2.841610
H 5.219870 2.207578 -2.725010
H 6.930682 1.717451 -2.925654
H 6.835335 -0.700323 -0.767114
H 8.152382 0.491646 -1.011814
H 7.375613 0.321141 0.591371
H -2.665919 -1.287557 2.495463
H -1.398308 -0.007003 2.720761
H 2.653422 -1.555856 -2.253064
H 1.385912 -0.303872 -2.604049
H -1.752262 -1.827176 0.230643
H -0.493291 -2.012561 1.504184
H 1.762895 -1.839979 0.067454
H 0.491309 -2.160887 -1.165786


