%chk=000250548.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250548

0 1
S 2.330896 0.010307 -0.120836
O 2.395227 -1.240815 -0.848921
O 2.395372 1.268232 -0.837082
C -2.895826 0.001962 -0.212549
C -1.680283 0.001685 0.724452
C -4.211761 -0.002524 0.576843
C -0.367634 0.006261 -0.072243
C -5.426454 -0.001782 -0.361223
C 0.852915 0.005923 0.853404
C -6.743649 -0.006614 0.426290
C -7.957491 -0.005665 -0.512459
C 3.593574 0.004304 1.133365
C -9.276436 -0.010739 0.273251
C 4.948573 0.007772 0.496206
C -10.487775 -0.009410 -0.656658
C 5.587210 1.223916 0.205875
C 5.588236 -1.205139 0.194825
C 6.859714 1.222465 -0.371076
C 6.860738 -1.197364 -0.382084
C 7.500992 0.014117 -0.661561
H -2.859409 0.886619 -0.878096
H -2.856203 -0.879020 -0.882772
H -1.717830 -0.883796 1.387694
H -1.721082 0.883436 1.392459
H -4.250496 -0.887795 1.240473
H -4.253432 0.878709 1.245648
H -0.335883 -0.880401 -0.742395
H -0.339138 0.896704 -0.737468
H -5.385679 -0.882352 -1.031234
H -5.388851 0.883104 -1.025713
H 0.801457 -0.874279 1.522376
H 0.799024 0.883098 1.526199
H -6.785321 0.874191 1.095609
H -6.782265 -0.891878 1.089883
H -7.917529 -0.885554 -1.182981
H -7.920757 0.878879 -1.177014
H 3.495998 -0.874524 1.802825
H 3.495641 0.876348 1.811582
H -9.318896 0.870410 0.942955
H -9.315907 -0.896862 0.936544
H -10.496667 -0.889829 -1.309267
H -11.424071 -0.013468 -0.087628
H -10.500074 0.876093 -1.302294
H 5.085276 2.169337 0.407547
H 5.087124 -2.152780 0.387920
H 7.349826 2.167783 -0.600008
H 7.351650 -2.140145 -0.619600
H 8.491657 0.016582 -1.111260


%chk=000250548-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250548

0 1
S 2.427824 0.010387 -0.079779
O 2.479832 -1.414678 -0.890452
O 2.477290 1.442903 -0.877353
C -2.973674 0.000575 -0.158785
C -1.753042 0.000268 0.789927
C -4.323290 -0.003180 0.593961
C -0.409922 0.004571 0.015393
C -5.547551 -0.002917 -0.349337
C 0.782628 0.004160 0.971706
C -6.897838 -0.006300 0.402831
C -8.123913 -0.005970 -0.538012
C 3.922822 0.005072 1.288710
C -9.473765 -0.009304 0.215571
C 5.226841 0.008695 0.580898
C -10.693384 -0.008877 -0.731176
C 5.849292 1.237011 0.227093
C 5.848079 -1.216093 0.212949
C 7.081261 1.238783 -0.459005
C 7.080005 -1.211244 -0.473182
C 7.701560 0.015424 -0.806625
H -2.923598 0.890042 -0.819937
H -2.920914 -0.885692 -0.824015
H -1.801147 -0.891206 1.448868
H -1.804194 0.888248 1.453340
H -4.372300 -0.892980 1.256065
H -4.374983 0.883515 1.260017
H -0.354854 -0.885368 -0.640616
H -0.357982 0.898129 -0.635948
H -5.497380 -0.889239 -1.015696
H -5.499788 0.886274 -1.012039
H 0.858616 -0.910585 1.583287
H 0.855284 0.915772 1.588331
H -6.947932 0.880232 1.069390
H -6.945571 -0.895720 1.065704
H -8.076245 -0.892291 -1.204872
H -8.078561 0.883212 -1.201213
H 3.696396 -0.913601 1.850964
H 3.695651 0.918395 1.859312
H -9.520454 0.876453 0.881777
H -9.518153 -0.897981 0.878036
H -10.686207 -0.900016 -1.386856
H -11.645342 -0.011367 -0.168841
H -10.688576 0.885115 -1.382981
H 5.359354 2.183858 0.480283
H 5.357056 -2.165265 0.455089
H 7.554347 2.189020 -0.728914
H 7.552063 -2.158787 -0.754119
H 8.658659 0.018045 -1.339942


