%chk=000252677.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252677

0 1
S -1.192468 -1.361272 0.341274
S 2.890295 2.413011 -0.586834
S 3.391749 -1.632800 0.859353
O 1.766748 1.389467 -1.356815
O 2.085231 -2.233907 -0.042670
O -1.393975 -2.790360 0.417058
O -0.383424 -0.693854 1.360040
O 2.526932 3.749298 -0.975318
O 2.820413 2.065135 0.816784
O 4.076958 -2.782866 1.375338
O 4.097014 -0.767171 -0.081773
N -0.526001 -1.044559 -1.218061
C -0.351661 0.361727 -1.641103
C 0.452035 -2.028844 -1.738851
C -2.709775 -0.544794 0.262562
C 0.479749 1.271192 -0.719070
C 1.923927 -1.767119 -1.390949
C -2.918466 0.619854 1.011421
C -3.746520 -1.061712 -0.522359
C -5.187853 0.765654 0.165523
C -4.146858 1.276129 0.962640
C -4.978736 -0.410173 -0.576410
C -6.508524 1.456396 0.123769
C 4.327958 1.882440 -1.351271
C 2.602250 -0.737088 2.075210
H 0.114599 0.387665 -2.658353
H -1.372045 0.798277 -1.765120
H 0.166033 -3.045178 -1.353919
H 0.343924 -2.068889 -2.847850
H 0.030146 2.280194 -0.650681
H 0.629041 0.857903 0.304406
H 2.597690 -2.366150 -2.032705
H 2.200528 -0.694209 -1.470948
H -2.113934 1.014149 1.645054
H -3.596613 -1.983791 -1.094238
H -4.302679 2.180575 1.548422
H -5.781197 -0.818427 -1.188376
H -7.037093 1.303431 -0.827670
H -6.422541 2.542394 0.270823
H -7.169451 1.077882 0.920659
H 4.255983 1.799038 -2.446416
H 5.209895 2.508065 -1.153032
H 4.634212 0.849912 -1.018346
H 1.481983 -0.831074 2.057629
H 2.880304 -0.995528 3.105584
H 2.740516 0.369477 1.990288


%chk=000252677-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252677

0 1
S -1.163727 -1.270564 0.400063
S 3.163784 2.495198 -0.595818
S 3.491685 -1.774245 0.888939
O 1.939098 1.276195 -1.358912
O 1.851407 -1.997028 0.008049
O -1.326808 -2.886443 0.408905
O -0.402422 -0.500249 1.632036
O 2.813813 3.980781 -1.133283
O 3.213196 2.238110 1.006328
O 3.999352 -3.207997 1.422504
O 4.469149 -0.917711 -0.093667
N -0.507317 -0.871348 -1.300836
C -0.399461 0.562583 -1.617587
C 0.390881 -1.901409 -1.851477
C -2.868522 -0.472630 0.280400
C 0.573343 1.476618 -0.829308
C 1.881738 -1.845879 -1.453785
C -3.126246 0.669301 1.052841
C -3.835330 -1.094461 -0.528259
C -5.434148 0.648852 0.178206
C -4.423933 1.227906 0.988869
C -5.121459 -0.517440 -0.574417
C -6.829971 1.241643 0.127986
C 4.690972 1.781892 -1.455933
C 2.798194 -0.707307 2.304286
H -0.160418 0.628737 -2.696457
H -1.406998 1.007606 -1.489598
H -0.022917 -2.879475 -1.545365
H 0.320668 -1.832631 -2.955933
H 0.265784 2.527147 -1.006569
H 0.537398 1.246415 0.250923
H 2.413126 -2.691552 -1.933048
H 2.349210 -0.885644 -1.734140
H -2.344800 1.087984 1.695294
H -3.593064 -2.000748 -1.091827
H -4.652205 2.120212 1.582238
H -5.895066 -0.981212 -1.197421
H -7.157695 1.411678 -0.913803
H -6.883476 2.204353 0.663185
H -7.566067 0.558277 0.591889
H 4.488340 1.861272 -2.531951
H 5.529045 2.416262 -1.134569
H 4.762419 0.744139 -1.089143
H 1.730338 -0.970367 2.368057
H 3.387116 -0.981633 3.190282
H 2.948295 0.334309 1.976527


