%chk=000205681.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205681

0 1
S -3.302627 0.355542 -1.214155
P -2.070209 -0.479198 -0.011209
O -0.979223 0.419535 0.778136
O -1.121263 -1.672100 -0.636461
O -2.746500 -1.302373 1.248357
C -0.244142 1.562197 0.189915
C 2.451256 0.397341 -0.328856
C 0.903538 1.684688 1.214062
C 0.265009 1.306865 -1.235132
C 1.897039 0.524138 1.104278
C 1.290928 0.173283 -1.319300
C -1.180408 2.767754 0.249187
C 3.456172 -0.738077 -0.411309
C 4.852023 -0.325096 -0.766575
C 3.129544 -2.012385 -0.182864
C -1.840551 -2.730054 -1.319695
C -3.702479 -0.553074 2.036205
H 2.954838 1.359809 -0.594685
H 0.473616 1.702951 2.236262
H 1.418158 2.652521 1.071680
H 0.726178 2.248170 -1.602516
H -0.565792 1.120550 -1.945688
H 1.387330 -0.419226 1.394045
H 2.724795 0.662136 1.822750
H 1.681792 0.096920 -2.350686
H 0.805083 -0.805934 -1.113374
H -1.943015 2.753623 -0.544329
H -1.721932 2.805027 1.202821
H -0.634232 3.710903 0.145216
H 4.884450 0.157185 -1.752765
H 5.253943 0.388593 -0.035025
H 5.545447 -1.175396 -0.801258
H 3.830480 -2.828963 -0.234921
H 2.130009 -2.332040 0.074266
H -2.493442 -3.272011 -0.623840
H -1.021102 -3.383865 -1.653795
H -2.392979 -2.345676 -2.187946
H -3.215403 0.286835 2.546365
H -4.028061 -1.302191 2.773809
H -4.558969 -0.227207 1.429930


%chk=000205681-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205681

0 1
S -3.699924 0.435213 -1.130573
P -2.251742 -0.483077 0.040021
O -0.953787 0.393244 0.727421
O -1.400454 -1.805121 -0.671771
O -2.832783 -1.288460 1.456270
C -0.211188 1.568011 0.090773
C 2.514277 0.358195 -0.457353
C 0.982387 1.741700 1.059268
C 0.266109 1.202596 -1.334561
C 1.997446 0.581850 0.997093
C 1.303271 0.056818 -1.371056
C -1.133477 2.798478 0.106408
C 3.625021 -0.695569 -0.494807
C 4.989739 -0.221898 -0.018317
C 3.429948 -1.975632 -0.911385
C -2.197252 -2.848284 -1.360224
C -3.747427 -0.553018 2.355855
H 2.963769 1.322361 -0.793157
H 0.586664 1.855696 2.085629
H 1.483747 2.694794 0.792449
H 0.712112 2.122397 -1.765980
H -0.610322 0.956501 -1.965871
H 1.516663 -0.349492 1.348985
H 2.839278 0.798424 1.681809
H 1.643401 -0.094376 -2.413474
H 0.813446 -0.879616 -1.048367
H -2.002449 2.660617 -0.559015
H -1.499972 2.990511 1.130483
H -0.571925 3.688325 -0.232648
H 5.369617 0.593751 -0.665438
H 4.941906 0.185536 1.010517
H 5.731331 -1.038977 -0.025365
H 4.247951 -2.706114 -0.906370
H 2.458635 -2.333399 -1.267886
H -2.754300 -3.448336 -0.620393
H -1.453123 -3.470499 -1.878908
H -2.893164 -2.392656 -2.088806
H -3.199646 0.242076 2.892224
H -4.110200 -1.310044 3.066734
H -4.594282 -0.120826 1.790686


