%chk=000198661.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198661

0 1
S -0.718250 0.342022 -0.916627
P 0.946744 -0.044284 0.309675
O 1.434824 1.449610 0.861103
O 0.641744 -0.913943 1.471093
C 2.196457 -0.620472 -0.954786
C -2.117855 0.154999 0.274378
C -3.339001 -0.192365 -0.563688
C 3.538392 -0.753284 -0.257944
C -4.575175 -0.342366 0.322854
C 1.746941 2.462117 -0.111267
H 1.874175 -1.598982 -1.372485
H 2.253510 0.064886 -1.820792
H -2.245416 1.105391 0.824964
H -1.895715 -0.635247 1.023280
H -3.526092 0.587373 -1.331122
H -3.169521 -1.135436 -1.125503
H 4.306786 -1.101485 -0.963393
H 3.906282 0.193533 0.163615
H 3.520456 -1.489451 0.562693
H -4.805028 0.583645 0.862554
H -5.457571 -0.600871 -0.274249
H -4.444426 -1.134293 1.070604
H 1.994668 3.325727 0.527443
H 0.879611 2.711886 -0.736187
H 2.620761 2.188288 -0.712615


%chk=000198661-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198661

0 1
S -0.816250 1.188195 -1.066110
P 0.875485 0.252947 0.227422
O 1.878849 1.563362 0.820049
O 0.310117 -0.622967 1.437869
C 1.987047 -0.653174 -0.985903
C -2.252505 0.671382 0.087950
C -3.138998 -0.407095 -0.554786
C 3.221252 -1.252230 -0.283361
C -4.326605 -0.765535 0.369597
C 2.002691 2.825611 0.069901
H 1.356488 -1.432936 -1.447610
H 2.264107 0.070196 -1.773562
H -2.809359 1.599113 0.301143
H -1.783813 0.297035 1.018237
H -3.517724 -0.054696 -1.533271
H -2.528469 -1.308121 -0.750317
H 3.847017 -1.786734 -1.020371
H 3.835353 -0.467622 0.191135
H 2.920887 -1.969923 0.499359
H -4.969677 0.114704 0.557251
H -4.954259 -1.551185 -0.088468
H -3.970687 -1.141639 1.346363
H 2.526145 3.512101 0.752550
H 1.007711 3.232388 -0.189155
H 2.602497 2.693821 -0.852314


