%chk=000230699.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230699

0 1
S -0.804191 0.583353 -1.624419
O -1.135499 -1.911477 -0.181353
O -0.913703 2.005860 -1.929908
O -0.932418 -0.373406 -2.703610
O 5.070619 -1.300233 0.904787
O 5.117567 0.796784 1.433986
N 4.591282 -0.178597 0.925556
C -1.940927 0.255517 -0.362635
C 0.770851 0.355868 -0.875259
C -2.067071 -0.998453 0.247831
C -2.814020 1.279963 0.032088
C -3.788552 1.059051 1.009819
C 1.380881 -0.898203 -0.913861
C 1.408520 1.444537 -0.278544
C -3.042470 -1.251280 1.229239
C -3.895995 -0.216998 1.599635
C 2.636964 -1.082928 -0.326506
C 2.664347 1.278955 0.314772
C 3.259516 0.011183 0.287319
C -4.717014 2.151583 1.426993
C -1.275046 -3.292204 0.242993
H -2.726275 2.268201 -0.442780
H 0.876180 -1.740357 -1.406343
H 0.936293 2.435424 -0.286043
H -3.135372 -2.227949 1.693383
H -4.660274 -0.395633 2.358930
H 3.132525 -2.058577 -0.345309
H 3.180756 2.119822 0.789276
H -4.504913 3.104039 0.921307
H -5.762363 1.897765 1.197294
H -4.654797 2.344467 2.507429
H -2.252004 -3.684685 -0.056176
H -1.107262 -3.371755 1.320661
H -0.471437 -3.782537 -0.323549


%chk=000230699-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230699

0 1
S -0.767055 0.607972 -1.629210
O -1.248137 -2.031697 -0.132833
O -0.903055 2.222138 -1.887518
O -0.876315 -0.453550 -2.861163
O 5.382336 -1.275364 0.681643
O 5.347621 0.885946 1.408746
N 4.814521 -0.123822 0.808783
C -2.047800 0.226010 -0.274268
C 0.938959 0.360461 -0.822095
C -2.170429 -1.070111 0.276266
C -2.895305 1.286627 0.074121
C -3.930912 1.081345 1.019660
C 1.569200 -0.883582 -0.982438
C 1.526677 1.463856 -0.182572
C -3.206713 -1.279479 1.221793
C -4.064492 -0.216703 1.575620
C 2.861346 -1.044138 -0.441862
C 2.816591 1.302438 0.364648
C 3.453874 0.049108 0.229040
C -4.870039 2.207078 1.413480
C -1.431302 -3.407365 0.348804
H -2.736600 2.259462 -0.406603
H 1.061737 -1.684242 -1.527629
H 0.997832 2.421330 -0.139730
H -3.345219 -2.261616 1.683266
H -4.859667 -0.403855 2.307482
H 3.412021 -1.983819 -0.530581
H 3.331402 2.117840 0.878722
H -4.593189 3.153799 0.920745
H -5.914076 1.975480 1.130877
H -4.857993 2.378689 2.505876
H -2.421164 -3.800345 0.051317
H -1.311841 -3.464474 1.447318
H -0.638116 -3.988321 -0.142700


