%chk=000212708.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212708

0 1
S 6.998385 -0.422467 0.340169
O 1.920366 -0.380631 0.250482
C -2.260216 0.080219 0.328751
C -3.791334 0.204650 0.035231
C -1.666162 -1.241742 -0.201479
C -1.454347 1.265379 -0.244090
C -0.185956 -1.376214 0.168359
C 0.029386 1.162280 0.126028
C 0.615258 -0.174710 -0.352150
C -4.327954 1.513522 0.652893
C -4.081445 0.204449 -1.476417
C -4.537734 -0.975125 0.693437
C 2.993640 0.394553 -0.328854
C 4.256698 -0.313609 0.175416
C 5.501950 0.491415 -0.150804
H -2.137632 0.088555 1.440497
H -1.787270 -1.297184 -1.300168
H -2.225891 -2.103345 0.210300
H -1.862332 2.221537 0.135533
H -1.566613 1.301122 -1.344500
H -0.059171 -1.449369 1.267191
H 0.237711 -2.312856 -0.239049
H 0.590682 2.007939 -0.307883
H 0.162262 1.243455 1.222997
H 0.718879 -0.199192 -1.457047
H -3.868760 2.396063 0.195934
H -5.409940 1.602796 0.512394
H -4.133967 1.559411 1.728914
H -3.733854 -0.717816 -1.952791
H -3.589496 1.041775 -1.981228
H -5.154812 0.289169 -1.674509
H -4.234824 -1.936338 0.265465
H -4.349857 -1.019352 1.770628
H -5.619886 -0.886211 0.554246
H 2.911636 1.429436 0.045109
H 2.918535 0.386460 -1.429003
H 4.152655 -0.483279 1.268276
H 4.305497 -1.331683 -0.266484
H 5.488403 1.484435 0.335603
H 5.596208 0.671709 -1.241029
H 6.772300 -0.528904 1.665832


%chk=000212708-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212708

0 1
S 7.251535 -0.195789 0.152850
O 1.984081 -0.556296 0.318131
C -2.320155 0.058490 0.318145
C -3.851213 0.239646 -0.017086
C -1.718109 -1.291199 -0.165216
C -1.421145 1.219157 -0.192771
C -0.245769 -1.460864 0.279856
C 0.050702 1.055767 0.262269
C 0.628161 -0.296454 -0.207289
C -4.376243 1.556145 0.624175
C -4.116874 0.289320 -1.546855
C -4.664490 -0.936696 0.594856
C 3.030202 0.300250 -0.248990
C 4.379343 -0.302145 0.175569
C 5.565295 0.564294 -0.277821
H -2.251703 0.061179 1.431068
H -1.772842 -1.346885 -1.272002
H -2.305402 -2.141307 0.226345
H -1.797332 2.194265 0.166942
H -1.456804 1.252181 -1.301465
H -0.184774 -1.497064 1.385708
H 0.170598 -2.412698 -0.098972
H 0.656414 1.896448 -0.128426
H 0.110847 1.091773 1.368841
H 0.669407 -0.302735 -1.323883
H -3.928033 2.453156 0.160770
H -5.472684 1.632669 0.496652
H -4.158613 1.585477 1.709319
H -3.787789 -0.638312 -2.050050
H -3.599105 1.141236 -2.024469
H -5.199782 0.407491 -1.740712
H -4.448046 -1.897198 0.094020
H -4.442846 -1.055508 1.673165
H -5.749570 -0.746931 0.491691
H 2.933879 1.343455 0.126052
H 2.942504 0.326307 -1.359944
H 4.380821 -0.406426 1.277672
H 4.471434 -1.320135 -0.243564
H 5.524359 1.576591 0.159934
H 5.598369 0.663957 -1.376822
H 7.052371 -0.214308 1.524505


