%chk=000244533.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244533

0 1
S -3.985709 1.406451 0.792491
O 2.948095 0.733484 0.816928
O 3.375150 -2.347209 1.646440
O 4.244741 -1.888776 -0.661743
O 3.056989 2.228634 -1.898577
N 0.787178 0.191379 1.599728
N -1.067575 1.399051 2.262243
N -0.187549 -0.879720 -0.447092
N -2.567517 -0.234157 -0.775739
N -1.431426 -1.624221 -2.316427
C 2.418616 -1.609316 0.909241
C 2.202693 -0.221543 1.580077
C 2.957439 -1.276554 -0.512705
C 3.232405 0.241250 -0.526885
C 2.374808 1.029110 -1.525137
C -0.217514 -0.072380 0.658618
C 0.201889 1.122417 2.542522
C -1.376697 0.676438 1.095316
C -2.549196 0.550029 0.320882
C -1.390185 -0.906052 -1.132263
C -5.213514 0.964324 -0.485445
C -6.471588 1.717281 -0.115298
H 1.514458 -2.257191 0.915373
H 2.626222 -0.152927 2.612316
H 2.275240 -1.619827 -1.315736
H 4.319458 0.464108 -0.662327
H 1.380355 1.274924 -1.109787
H 2.258149 0.497535 -2.489483
H 4.296248 -2.010695 1.455502
H 4.149075 -2.868471 -0.715906
H 0.781000 1.510066 3.370111
H 3.112730 2.836744 -1.127815
H -4.835715 1.243833 -1.488382
H -5.368213 -0.131753 -0.500977
H -0.694219 -2.281497 -2.517725
H -2.328765 -1.794451 -2.748548
H -6.857430 1.434267 0.874550
H -6.325101 2.807095 -0.111297
H -7.274027 1.509623 -0.838441


%chk=000244533-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244533

0 1
S -4.209492 1.316946 1.059570
O 2.799793 0.909281 0.523692
O 3.606055 -1.846449 1.917353
O 3.957660 -2.296827 -0.676960
O 3.618425 2.129504 -1.933093
N 0.710586 0.360226 1.600393
N -1.195382 1.321274 2.465788
N -0.226102 -0.538009 -0.522236
N -2.632063 -0.044208 -0.740035
N -1.475322 -1.213857 -2.397588
C 2.464075 -1.419898 1.116943
C 2.138097 0.040375 1.514432
C 2.875877 -1.337314 -0.387169
C 3.436698 0.089255 -0.549463
C 3.100076 0.762372 -1.882405
C -0.304997 0.120265 0.666159
C 0.109318 1.095290 2.650945
C -1.478045 0.717647 1.224136
C -2.665230 0.601796 0.453420
C -1.434887 -0.577806 -1.175762
C -5.383295 0.859357 -0.365203
C -6.775253 1.419410 -0.044119
H 1.603753 -2.094017 1.285588
H 2.574252 0.243966 2.507746
H 1.988671 -1.498338 -1.023545
H 4.530308 0.088039 -0.380344
H 1.999334 0.742008 -2.029506
H 3.596520 0.226899 -2.710085
H 4.237885 -2.295908 1.285813
H 3.578644 -3.133384 -1.044567
H 0.687464 1.425731 3.511906
H 3.265499 2.608465 -1.139090
H -4.957737 1.285369 -1.286940
H -5.378186 -0.238179 -0.452834
H -0.625502 -1.602776 -2.794121
H -2.355278 -1.242257 -2.904268
H -7.179661 0.995088 0.892006
H -6.758069 2.519271 0.054037
H -7.473491 1.162698 -0.861990


