%chk=000250598.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250598

0 1
S 1.162522 0.116107 0.157050
O -6.553448 -1.989473 0.092977
O -7.563562 -0.196883 1.276181
C 6.362723 -0.166491 0.378505
C 5.202277 0.205816 -0.553963
C 7.719760 0.021815 -0.312994
C 3.845554 0.015592 0.142547
C 8.879862 -0.350571 0.619811
C 2.699174 0.387245 -0.789949
C 10.238598 -0.162972 -0.069821
C -1.457951 0.388827 -0.351761
C -2.625329 0.768827 -1.280316
C -0.120240 0.591876 -1.050754
C -3.943461 0.560768 -0.585030
C 11.396770 -0.532449 0.854382
C -4.553978 -0.721332 -0.652140
C -4.539900 1.611149 0.115355
C -5.754711 -0.856865 0.003545
C -6.360759 0.221432 0.714943
C -5.775786 1.464337 0.787729
C -7.714708 -1.604098 0.901334
H 6.254449 -1.215967 0.714851
H 6.320376 0.449447 1.297778
H 5.311100 1.255536 -0.888491
H 5.245214 -0.411421 -1.472039
H 7.829133 1.071147 -0.648524
H 7.763195 -0.594683 -1.231523
H 3.745021 -1.036840 0.480767
H 3.810910 0.632042 1.064967
H 8.772448 -1.399600 0.956602
H 8.838311 0.264712 1.539116
H 2.698902 -0.238361 -1.700221
H 2.765082 1.441657 -1.112091
H 10.282679 -0.779928 -0.988624
H 10.348739 0.886912 -0.405057
H -1.512331 0.995831 0.576721
H -1.573976 -0.666439 -0.025107
H -2.581631 0.168092 -2.211916
H -2.521218 1.822945 -1.609116
H 0.021872 1.642968 -1.359177
H -0.036960 -0.033159 -1.957715
H 11.339307 -1.578832 1.175139
H 11.405024 0.086686 1.758651
H 12.361927 -0.395298 0.354207
H -4.092397 -1.544223 -1.188923
H -4.046746 2.581784 0.156361
H -6.229918 2.289038 1.328702
H -7.697054 -2.203001 1.821207
H -8.607667 -1.691402 0.268922


%chk=000250598-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250598

0 1
S 1.135682 -0.036696 0.562997
O -6.750637 -1.972887 -0.009739
O -7.918000 -0.088653 0.923268
C 6.524306 -0.209394 0.436549
C 5.267844 0.134205 -0.395659
C 7.845548 0.018638 -0.331887
C 3.950190 -0.093764 0.383200
C 9.103549 -0.320349 0.499235
C 2.709370 0.253480 -0.456495
C 10.424979 -0.092241 -0.269763
C -1.562540 0.345071 -0.152760
C -2.651852 0.773467 -1.178717
C -0.144774 0.498771 -0.728098
C -4.063373 0.603843 -0.633322
C 11.677177 -0.427695 0.569063
C -4.673860 -0.687510 -0.642889
C -4.763685 1.706206 -0.081286
C -5.951116 -0.803363 -0.094068
C -6.636039 0.301825 0.453519
C -6.067887 1.576339 0.473927
C -7.992376 -1.556408 0.695974
H 6.468668 -1.268470 0.764135
H 6.528576 0.402659 1.362558
H 5.324620 1.193292 -0.723343
H 5.262056 -0.480028 -1.320309
H 7.899564 1.077484 -0.661787
H 7.842211 -0.594948 -1.257311
H 3.890987 -1.151728 0.707870
H 3.954395 0.522047 1.304631
H 9.051775 -1.378956 0.829998
H 9.109143 0.293417 1.424475
H 2.652080 -0.380827 -1.360023
H 2.724724 1.315284 -0.764032
H 10.420377 -0.708531 -1.192158
H 10.473979 0.964653 -0.603211
H -1.664322 0.955550 0.764897
H -1.732394 -0.707615 0.144716
H -2.525275 0.170938 -2.100328
H -2.482230 1.830625 -1.461150
H 0.061495 1.550778 -0.998924
H -0.011825 -0.133794 -1.625347
H 11.666070 -1.486063 0.891804
H 11.723413 0.199016 1.479802
H 12.607331 -0.259221 -0.004444
H -4.161015 -1.555198 -1.068899
H -4.287286 2.693142 -0.082399
H -6.602723 2.432525 0.892609
H -8.038554 -2.069848 1.673131
H -8.861145 -1.776772 0.053087


