%chk=000248929.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248929

0 1
S -3.805406 -2.628223 1.179003
O -5.182947 0.417139 -0.477524
O 6.213237 -0.022618 1.476425
C -0.839055 -0.852552 -0.077911
C -1.702582 0.450359 -0.142265
C 0.506408 -0.650175 -0.787839
C 1.276614 0.461609 -0.010570
C -3.040474 -0.065361 0.481413
C 2.682790 0.712773 -0.646476
C -0.962631 1.527527 0.671728
C -1.792352 -1.957517 -0.563218
C 0.441427 1.756520 0.087038
C -3.187652 -1.490446 -0.106856
C 1.316289 -1.957073 -0.838620
C -1.963173 0.947318 -1.571554
C 3.398586 -0.639955 -0.634007
C 2.719168 -1.726929 -1.421631
C 3.480941 1.781844 0.149624
C 2.572617 1.214162 -2.099210
C -4.250194 0.805401 0.193436
C 4.182157 1.238748 1.391575
C 4.502355 -0.891437 0.085541
C 5.099334 0.089835 1.012419
C -4.256691 2.165798 0.830490
C -5.598429 -2.528271 0.962235
H -0.617404 -1.068197 1.000909
H 0.330935 -0.303073 -1.835598
H 1.453575 0.091592 1.030589
H -2.920818 -0.117068 1.593465
H -0.885974 1.225180 1.733026
H -1.535283 2.476789 0.670521
H -1.761746 -2.069862 -1.661511
H -1.510214 -2.944492 -0.155759
H 0.351141 2.222102 -0.913883
H 0.983711 2.493566 0.713906
H -3.904076 -1.484948 -0.962419
H 0.779450 -2.709893 -1.446147
H 1.403356 -2.394966 0.175419
H -2.561505 0.233506 -2.150327
H -2.501711 1.900476 -1.578067
H -1.027093 1.098757 -2.122905
H 2.657748 -1.452732 -2.494043
H 3.297491 -2.672298 -1.395496
H 2.808824 2.615073 0.437481
H 4.245044 2.236633 -0.515101
H 1.888330 0.597383 -2.694313
H 2.195624 2.241994 -2.140499
H 3.547333 1.201490 -2.600898
H 3.451422 0.882067 2.144377
H 4.761866 2.037782 1.895665
H 5.017159 -1.852290 0.053089
H -4.535632 2.099656 1.891452
H -3.275839 2.662808 0.780317
H -4.995748 2.824602 0.350869
H -5.946447 -3.263941 0.228972
H -5.919574 -1.531569 0.624902
H -6.078883 -2.739104 1.924766


%chk=000248929-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248929

0 1
S -3.992319 -2.544496 1.314371
O -5.097539 0.726624 -0.461847
O 5.994561 -0.183951 1.967127
C -0.837380 -0.748548 -0.090434
C -1.704782 0.552131 -0.201301
C 0.528341 -0.630570 -0.797347
C 1.322555 0.550388 -0.136940
C -2.991905 0.041849 0.569578
C 2.778467 0.700078 -0.754637
C -0.920396 1.703282 0.472730
C -1.804582 -1.891767 -0.482993
C 0.493239 1.865404 -0.153894
C -3.204307 -1.397476 0.009445
C 1.319980 -1.960416 -0.741050
C -2.075114 0.925739 -1.661206
C 3.438871 -0.679570 -0.608556
C 2.752711 -1.814784 -1.336656
C 3.641766 1.782393 -0.035426
C 2.717935 1.109138 -2.259557
C -4.232686 0.925885 0.437375
C 4.188246 1.355002 1.341467
C 4.482081 -0.923766 0.249855
C 4.994832 0.061028 1.224408
C -4.396493 2.048608 1.451205
C -5.720132 -2.733830 0.578127
H -0.617359 -0.873709 0.995428
H 0.352384 -0.391801 -1.867008
H 1.464307 0.265779 0.931210
H -2.722752 -0.014061 1.644037
H -0.814561 1.487140 1.556826
H -1.462473 2.665444 0.381798
H -1.818693 -2.046994 -1.579067
H -1.531773 -2.854371 -0.020146
H 0.395215 2.231984 -1.193709
H 1.028927 2.654815 0.405735
H -3.939018 -1.360533 -0.812616
H 0.770255 -2.748885 -1.289071
H 1.404988 -2.295177 0.313416
H -2.672392 0.140271 -2.154730
H -2.682802 1.848916 -1.678755
H -1.180876 1.108497 -2.280950
H 2.673214 -1.614482 -2.422523
H 3.313684 -2.758099 -1.210864
H 3.069709 2.723412 0.054433
H 4.506356 2.009851 -0.691023
H 2.017807 0.496728 -2.851975
H 2.405030 2.165018 -2.354565
H 3.718479 1.017856 -2.720646
H 3.359383 1.173914 2.056717
H 4.829813 2.136365 1.785245
H 4.937769 -1.921582 0.298358
H -4.697617 1.608396 2.422755
H -3.445106 2.581907 1.624845
H -5.177050 2.753891 1.125570
H -5.678090 -3.323903 -0.350668
H -6.155118 -1.742053 0.383440
H -6.322193 -3.267410 1.330665


