%chk=000241894.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241894

0 1
S -2.218377 2.511462 1.304505
O 3.900225 0.851285 -1.401194
O 5.892908 1.029295 1.132190
O 4.030141 -1.885919 0.833855
O 4.522046 -2.435928 -2.734392
O -2.783280 -2.521966 1.332117
O -3.576296 -1.232422 2.867696
N 2.607876 1.923226 0.248542
N 0.776844 3.327445 0.381232
N 1.482435 -0.204032 0.961135
N -0.925359 0.160111 1.477182
N 0.106294 -1.950193 1.770049
N -3.414794 -1.535218 1.699337
C 4.587869 0.504760 0.880618
C 3.971841 1.505510 -0.132945
C 4.676383 -0.849159 0.122511
C 3.998586 -0.595946 -1.247383
C 4.807694 -1.062910 -2.463338
C 1.529259 1.128861 0.662546
C 2.065860 3.256093 0.069679
C 0.394563 2.026024 0.757462
C -0.826044 1.466156 1.179388
C 0.229019 -0.637621 1.375989
C -3.570482 1.465613 1.904201
C -4.132629 0.695591 0.759419
C -4.038581 -0.705868 0.650645
C -4.773657 1.394359 -0.283380
C -4.528188 -1.384657 -0.483111
C -5.278261 0.722525 -1.393907
C -5.153004 -0.671071 -1.499114
H 4.021469 0.411798 1.832158
H 4.610928 2.409076 -0.303853
H 5.728009 -1.203568 0.041653
H 2.960846 -1.001199 -1.272326
H 5.894492 -0.917363 -2.340390
H 4.472195 -0.540705 -3.384221
H 6.285294 0.596938 1.922995
H 3.075406 -1.647240 1.011164
H 2.694978 4.067863 -0.271213
H 4.777798 -2.998470 -1.970840
H -4.325743 2.147458 2.354909
H -3.230027 0.821690 2.753521
H -0.824407 -2.340622 1.933656
H 0.843209 -2.607648 1.565441
H -4.862064 2.481212 -0.225681
H -4.408454 -2.470741 -0.554232
H -5.769712 1.283240 -2.191694
H -5.539110 -1.190125 -2.376283


%chk=000241894-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241894

0 1
S -2.248795 2.734708 1.446983
O 3.619290 0.513195 -1.561587
O 5.905652 0.822795 0.755997
O 3.318535 -1.869735 0.574423
O 6.217102 -2.056812 -2.480223
O -3.132001 -2.586390 1.719912
O -3.926181 -1.074045 3.222071
N 2.513039 1.789381 0.128398
N 0.841585 3.347359 0.428357
N 1.239980 -0.255008 0.728185
N -1.079358 0.232127 1.355290
N -0.243841 -1.965597 1.338845
N -3.745415 -1.479378 2.013641
C 4.525858 0.313716 0.689415
C 3.810365 1.262487 -0.313898
C 4.428124 -1.110947 0.047680
C 4.312265 -0.809408 -1.471258
C 5.655959 -0.721233 -2.225186
C 1.382593 1.078703 0.532929
C 2.115193 3.148923 0.071594
C 0.359897 2.055552 0.721977
C -0.895879 1.557607 1.154753
C -0.020135 -0.633640 1.135837
C -3.610088 1.554103 2.056581
C -4.243145 0.748645 0.939535
C -4.269973 -0.672922 0.896272
C -4.803042 1.420590 -0.177529
C -4.788140 -1.396696 -0.203432
C -5.361984 0.720070 -1.265877
C -5.349383 -0.695738 -1.285245
H 4.051423 0.313566 1.689044
H 4.462625 2.136812 -0.494277
H 5.338871 -1.697794 0.277368
H 3.655161 -1.547406 -1.961026
H 6.368782 -0.070787 -1.679034
H 5.476593 -0.298364 -3.225648
H 6.411003 0.305530 1.431951
H 2.469182 -1.269223 0.591922
H 2.809609 3.928046 -0.236450
H 6.459342 -2.485766 -1.620840
H -4.339692 2.244197 2.513491
H -3.173387 0.931549 2.845005
H -1.181494 -2.293995 1.587586
H 0.512668 -2.629323 1.182977
H -4.767988 2.515372 -0.196009
H -4.749655 -2.489322 -0.186396
H -5.794952 1.275612 -2.104243
H -5.770174 -1.244114 -2.133561


