%chk=000211714.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211714

0 1
S 3.008856 -1.537317 1.067949
S 1.000583 0.088837 2.544642
O 3.705744 1.260968 -1.493734
O -2.291823 -1.803969 -0.447588
O -4.172594 -0.430690 0.524124
N 2.371629 0.867548 0.350317
C 3.906976 -0.901035 -0.386942
C 1.685737 2.190005 0.223645
C 0.652249 2.191021 -0.913365
C 3.371190 0.499799 -0.619938
C 5.411696 -0.895569 -0.130599
C -0.639710 1.530562 -0.516687
C 2.041811 -0.060484 1.326171
C 5.995741 -2.302904 -0.105111
C -0.795180 0.136612 -0.700231
C -1.675025 2.284233 0.024409
C -1.985067 -0.473024 -0.329284
C -3.055677 0.310655 0.223161
C -2.892234 1.677311 0.394066
C -1.206010 -2.714718 -0.821198
C -5.298448 0.274780 1.139571
C -1.874086 -4.074723 -0.762072
C -6.312197 -0.832807 1.353557
H 3.664424 -1.540315 -1.273679
H 1.201897 2.450948 1.194551
H 2.471693 2.955494 0.020912
H 1.076839 1.711736 -1.821449
H 0.467274 3.243186 -1.220155
H 5.645389 -0.371328 0.820557
H 5.908841 -0.298142 -0.929579
H 7.084229 -2.270075 0.036441
H 5.808854 -2.845850 -1.039104
H 5.587394 -2.905967 0.716272
H 0.020567 -0.437980 -1.124390
H -1.561213 3.355141 0.173681
H -3.681800 2.293561 0.812435
H -0.862764 -2.449719 -1.835032
H -0.388431 -2.606613 -0.087417
H -4.955421 0.729257 2.084503
H -5.652408 1.049339 0.438444
H -1.173679 -4.877954 -1.011920
H -2.279304 -4.270313 0.241643
H -2.726067 -4.128927 -1.454299
H -6.577178 -1.315483 0.402026
H -7.229605 -0.454516 1.815669
H -5.901789 -1.624575 1.996727


%chk=000211714-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211714

0 1
S 2.663884 -1.352163 1.469669
S 1.064714 0.904536 2.823355
O 3.455599 0.928793 -1.691998
O -2.050878 -1.834617 -0.563328
O -4.045591 -0.549157 0.618199
N 2.265735 1.023482 0.334029
C 3.525859 -1.021985 -0.195574
C 1.765041 2.392554 0.045587
C 0.633607 2.407240 -1.023034
C 3.091337 0.384060 -0.617611
C 5.064423 -1.146676 -0.106921
C -0.625913 1.664714 -0.606912
C 1.948346 0.331839 1.515355
C 5.534256 -2.584671 0.184284
C -0.735326 0.264151 -0.821096
C -1.693325 2.335064 0.024124
C -1.874162 -0.455283 -0.400989
C -2.950957 0.237570 0.241326
C -2.846862 1.630921 0.443529
C -0.926726 -2.603121 -1.129408
C -5.165706 0.129143 1.297847
C -1.357389 -4.067602 -1.131974
C -6.205590 -0.945728 1.603085
H 3.128373 -1.750400 -0.924973
H 1.409364 2.806794 1.004005
H 2.624398 2.980960 -0.322803
H 1.042760 2.001726 -1.966340
H 0.401558 3.473491 -1.207913
H 5.438422 -0.455031 0.671240
H 5.471592 -0.798953 -1.076502
H 6.637118 -2.633045 0.212101
H 5.185206 -3.286146 -0.596609
H 5.157878 -2.942286 1.160441
H 0.078115 -0.258281 -1.334756
H -1.631447 3.415615 0.198805
H -3.659283 2.178267 0.929969
H -0.712225 -2.246118 -2.158779
H -0.023016 -2.448186 -0.502175
H -4.797982 0.610626 2.227835
H -5.581539 0.915463 0.633564
H -0.554430 -4.701093 -1.551619
H -1.575307 -4.408063 -0.105642
H -2.266972 -4.202824 -1.741501
H -6.553315 -1.424314 0.671854
H -7.076162 -0.498641 2.117000
H -5.775580 -1.726627 2.252950


