%chk=000229350.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229350

0 1
S -1.946780 0.800457 -0.106268
O -2.582853 0.536053 1.170088
O -2.129323 2.090730 -0.739547
O 4.670154 0.083934 -0.525250
O 4.476919 -0.843604 1.500278
N -2.404021 -0.387771 -1.272854
C -0.238815 0.476008 0.069780
C -2.532449 -1.789483 -0.790115
C -3.491044 0.039015 -2.189707
C 0.231269 -0.103760 1.250885
C 0.641102 0.812724 -0.959428
C -3.703554 -2.050213 0.153559
C 1.596120 -0.361440 1.403587
C 2.010169 0.558166 -0.815630
C 2.480336 -0.030699 0.364855
C 3.924621 -0.322366 0.559446
H -2.615089 -2.449167 -1.686046
H -1.572137 -2.065984 -0.296263
H -3.302463 1.073125 -2.540969
H -4.495739 0.007060 -1.737551
H -3.495871 -0.612128 -3.080576
H -0.466384 -0.347959 2.062577
H 0.270644 1.280908 -1.877765
H -3.670790 -1.393848 1.041835
H -4.671398 -1.878304 -0.329282
H -3.697854 -3.083312 0.516897
H 1.980108 -0.814057 2.322666
H 2.712315 0.817051 -1.613562
H 5.642106 -0.103038 -0.404839


%chk=000229350-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229350

0 1
S -1.974603 0.833512 -0.037869
O -2.605973 0.570226 1.451593
O -2.165311 2.269482 -0.784526
O 4.806948 0.084380 -0.588331
O 4.579774 -0.773277 1.558849
N -2.450209 -0.470834 -1.352030
C -0.125388 0.460559 0.100743
C -2.615156 -1.825530 -0.742163
C -3.565776 0.024755 -2.195668
C 0.341110 -0.082926 1.308849
C 0.705805 0.795556 -0.981380
C -3.921507 -2.112384 0.032230
C 1.726176 -0.320166 1.429562
C 2.088519 0.553725 -0.847684
C 2.596448 -0.007143 0.353908
C 4.051480 -0.278433 0.535366
H -2.511531 -2.526877 -1.594968
H -1.739517 -2.000374 -0.088516
H -3.368629 1.078627 -2.453550
H -4.568633 -0.051767 -1.731426
H -3.549996 -0.574474 -3.125089
H -0.360209 -0.289064 2.123996
H 0.286474 1.236442 -1.890273
H -4.032209 -1.418547 0.882378
H -4.812384 -2.033056 -0.615259
H -3.890284 -3.143925 0.428253
H 2.149633 -0.741783 2.346530
H 2.778536 0.795180 -1.660082
H 5.765711 -0.113786 -0.412644


