%chk=000259735.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259735

0 1
S 1.478044 0.052171 -1.589693
O 3.332678 0.369365 1.808917
O 2.141895 -1.530083 1.821880
O -1.372347 2.789090 -2.187194
O 0.556407 1.795629 -2.367347
O -4.034603 -1.151536 1.993115
O -4.613129 0.671083 0.975995
N 4.630358 -1.987490 0.071941
N -0.593135 1.904468 -1.903208
N -3.826428 -0.223314 1.232078
C 3.561868 -0.981063 -0.133679
C 2.487305 -1.390903 -1.141643
C -0.010074 -0.144464 -0.690071
C -0.969321 0.859505 -0.956127
C -0.315928 -1.164466 0.221609
C -2.228275 0.851902 -0.335388
C -2.509383 -0.179125 0.561150
C -1.554245 -1.185333 0.846879
C 2.921368 -0.803885 1.247565
H 4.047569 -0.006650 -0.434416
H 2.950221 -1.741613 -2.086658
H 1.882306 -2.241477 -0.773354
H 0.429479 -1.933882 0.473470
H -2.968014 1.639281 -0.553367
H -1.808605 -1.973975 1.569664
H 5.294085 -1.986309 -0.695687
H 4.256992 -2.927165 0.173950
H 2.976910 0.508042 2.730619


%chk=000259735-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259735

0 1
S 1.606359 0.391342 -1.346587
O 4.297971 -0.030588 1.907417
O 2.396116 -1.365695 1.926956
O -2.071641 2.535227 -2.588097
O 0.189429 2.484310 -2.276737
O -4.172910 -1.330621 1.886747
O -4.969721 0.353671 0.564734
N 4.516814 -2.386444 -0.243153
N -1.009423 2.062379 -2.028576
N -4.019276 -0.403074 1.000189
C 3.724404 -1.146906 -0.165842
C 2.475343 -1.287769 -1.054704
C -0.050401 0.173304 -0.614300
C -1.158891 0.979130 -1.033385
C -0.307234 -0.801030 0.392392
C -2.458600 0.788857 -0.522384
C -2.660858 -0.200695 0.449110
C -1.589672 -0.993124 0.922790
C 3.355358 -0.854696 1.298063
H 4.352356 -0.319182 -0.534844
H 2.800626 -1.606372 -2.057191
H 1.761993 -2.026874 -0.658663
H 0.519647 -1.379375 0.812937
H -3.283903 1.407431 -0.884273
H -1.771807 -1.731479 1.707763
H 5.509841 -2.290727 -0.020486
H 4.077538 -3.215282 0.166985
H 4.084542 0.082085 2.874138


