%chk=000202539.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202539

0 1
S 2.446062 0.943413 2.444450
S -1.935587 0.589076 2.724676
S -3.985819 -0.796033 0.283452
P -2.250794 -0.243886 0.853044
O -1.503663 0.920627 -0.056178
O -1.099607 -1.428954 0.978098
C 2.770065 -0.049206 -0.112521
C 2.549163 1.246556 0.653907
C 3.174454 0.231279 -1.569109
C 0.794249 0.217750 2.674293
C -0.240876 1.306508 2.567157
C 3.438975 -1.058582 -2.341370
C -1.878989 1.048729 -1.462551
C -1.021456 -2.466278 -0.034638
C -1.030143 2.213863 -1.935572
C -0.198736 -1.981589 -1.212951
H 1.843001 -0.672477 -0.099242
H 3.551608 -0.665055 0.377942
H 1.644937 1.775353 0.298869
H 3.401469 1.944956 0.523872
H 2.382543 0.816629 -2.075290
H 4.081940 0.867364 -1.590704
H 0.637936 -0.608457 1.943533
H 0.795962 -0.265452 3.674054
H -0.160488 1.887376 1.622612
H -0.168298 2.041004 3.397256
H 2.549747 -1.696414 -2.390133
H 3.746793 -0.846249 -3.371896
H 4.239395 -1.648591 -1.878556
H -2.962788 1.261834 -1.542891
H -1.622216 0.103720 -1.990349
H -2.026487 -2.827551 -0.324132
H -0.501677 -3.266716 0.533905
H -1.228393 3.113689 -1.335292
H 0.041237 1.996924 -1.834616
H -1.234601 2.457427 -2.984589
H -0.758677 -1.301422 -1.874708
H 0.695084 -1.424554 -0.862653
H 0.151673 -2.819211 -1.826681


%chk=000202539-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202539

0 1
S 2.447766 1.489705 2.468311
S -2.035708 0.483636 2.623333
S -3.871047 -1.277815 -0.053883
P -2.059679 -0.502436 0.571352
O -1.314098 0.691339 -0.476588
O -0.702564 -1.581569 0.680270
C 3.103352 0.055655 0.052264
C 2.535743 1.386857 0.570619
C 3.131803 0.003304 -1.495633
C 0.846106 0.510948 2.750187
C -0.361407 1.416118 2.504608
C 3.725436 -1.317848 -2.031267
C -2.199184 1.750323 -1.049703
C -0.705859 -2.823763 -0.155572
C -1.326268 2.567308 -1.998045
C -0.364123 -2.538229 -1.618974
H 2.487497 -0.783148 0.433444
H 4.125507 -0.091789 0.452100
H 1.518873 1.562362 0.175123
H 3.172526 2.240484 0.277684
H 2.100403 0.136963 -1.882034
H 3.724347 0.857609 -1.882151
H 0.843548 -0.360685 2.077166
H 0.889152 0.155054 3.792126
H -0.331293 1.877646 1.505141
H -0.451624 2.209610 3.266229
H 3.139629 -2.188592 -1.679680
H 3.733351 -1.339202 -3.136570
H 4.766038 -1.454129 -1.682184
H -2.603010 2.369536 -0.224696
H -3.041734 1.263191 -1.576123
H -1.692147 -3.316182 -0.054909
H 0.063050 -3.441231 0.336998
H -0.485868 3.037838 -1.459046
H -0.916460 1.928229 -2.798402
H -1.931405 3.366903 -2.463767
H -1.159945 -1.949304 -2.107029
H 0.585789 -1.983025 -1.700186
H -0.259496 -3.494271 -2.166012


