%chk=000180476.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180476

0 1
S -0.215571 2.247872 -0.398813
O 4.136026 3.232953 0.373361
O 1.903978 -1.501531 -0.951671
O 3.776829 -1.161166 0.276079
O -4.076330 -2.155884 0.134816
N 2.423158 1.607267 0.003307
C 1.139505 1.797333 0.732536
C 1.792463 3.035333 1.389317
C 3.057615 2.752908 0.549163
C 2.767910 0.672878 -1.050631
C -1.356203 0.934775 -0.173445
C 2.932770 -0.725646 -0.461624
C -2.592802 1.227320 0.403666
C -1.051016 -0.356645 -0.629754
C -3.558042 0.223386 0.531800
C -1.992414 -1.369667 -0.503840
C -3.245412 -1.064982 0.075710
C 1.823732 -2.900575 -0.528874
C 1.209081 -2.981801 0.852064
C -5.401279 -1.976257 0.694235
H 0.862416 0.957066 1.396931
H 1.324996 4.007960 1.178050
H 1.948479 2.970605 2.474041
H 3.735576 0.979865 -1.523999
H 1.989776 0.665495 -1.856197
H -2.817857 2.236655 0.756477
H -0.073014 -0.576227 -1.077690
H -4.521150 0.451862 0.974772
H -1.794157 -2.382301 -0.848153
H 2.837514 -3.337732 -0.570158
H 1.179974 -3.323634 -1.321209
H 0.255953 -2.438574 0.906371
H 1.876727 -2.547710 1.611306
H 1.016124 -4.021291 1.143986
H -5.333020 -1.673430 1.742842
H -5.820267 -2.987508 0.602863
H -5.972469 -1.260572 0.095970


%chk=000180476-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180476

0 1
S -0.374731 2.936804 -0.471934
O 4.376024 2.858780 -0.084202
O 1.998865 -1.903845 -0.326401
O 1.816778 -0.560489 1.578322
O -3.537534 -2.249995 -0.488270
N 2.223051 1.746331 -0.037057
C 1.101545 2.446377 0.628612
C 2.082811 3.637161 0.902525
C 3.163813 2.767928 0.191858
C 2.329018 0.437262 -0.640953
C -1.337268 1.360882 -0.428660
C 2.022434 -0.691854 0.351855
C -1.990977 0.945969 0.752378
C -1.455516 0.576581 -1.604447
C -2.734025 -0.256564 0.781701
C -2.205893 -0.613313 -1.592878
C -2.837855 -1.038977 -0.396295
C 1.681223 -3.124208 0.485272
C 0.167348 -3.298380 0.629281
C -4.220304 -2.733534 0.715225
H 0.704384 1.906450 1.501028
H 1.840999 4.574586 0.377041
H 2.287929 3.839350 1.964752
H 3.360857 0.315119 -1.019747
H 1.648987 0.330382 -1.506881
H -1.930609 1.565332 1.653921
H -0.962034 0.903533 -2.525758
H -3.226469 -0.558154 1.710709
H -2.310119 -1.228593 -2.491521
H 2.173364 -3.025422 1.468950
H 2.143147 -3.940535 -0.091964
H -0.324825 -3.333315 -0.357560
H -0.267703 -2.469005 1.211887
H -0.045477 -4.246657 1.157520
H -3.503117 -2.912998 1.539858
H -4.688381 -3.682926 0.417276
H -5.000144 -2.021661 1.048160


