%chk=000262966.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262966

0 1
S 0.343088 -1.558967 1.859378
S -0.342935 -1.559144 -1.859291
S -1.173951 0.790415 2.949510
S 1.174098 0.790171 -2.949575
O -2.646368 -2.655686 -0.343110
O 2.646492 -2.655655 0.343342
O -2.369550 0.901092 -0.625009
O 2.369514 0.901120 0.624936
O -4.244860 1.774082 0.306387
O 4.244861 1.774103 -0.306397
N -2.113486 -1.034398 1.224607
N 2.113625 -1.034503 -1.224521
C -0.411471 -2.687747 0.634395
C 0.411610 -2.687812 -0.634195
C -1.824878 -2.172997 0.391044
C 1.825019 -2.173049 -0.390885
C -1.090663 -0.511567 2.006509
C 1.090811 -0.511745 -2.006483
C -3.421668 -0.358228 1.109314
C 3.421783 -0.358288 -1.109229
C -3.410076 0.903423 0.254787
C 3.410123 0.903402 -0.254762
C -2.239803 2.054028 -1.530201
C 2.239638 2.054136 1.530009
C -1.663265 3.232912 -0.781056
C 1.663107 3.232920 0.780701
H -0.463395 -3.718049 1.079573
H 0.463529 -3.718158 -1.079272
H -4.166897 -1.072490 0.665000
H -3.802288 -0.086899 2.130203
H 4.167021 -1.072504 -0.664857
H 3.802424 -0.086999 -2.130121
H -3.232208 2.265141 -1.965724
H -1.552618 1.633234 -2.289354
H 3.231996 2.265338 1.965596
H 1.552408 1.633382 2.289143
H -2.353011 3.590398 -0.001732
H -0.711807 2.970776 -0.280278
H -1.462391 4.074699 -1.454780
H 2.352896 3.590357 0.001394
H 0.711698 2.970691 0.279878
H 1.462145 4.074766 1.454325


%chk=000262966-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262966

0 1
S 0.032334 -0.093093 1.750004
S -0.032192 -0.092711 -1.749569
S -2.340134 1.609060 2.747851
S 2.340448 1.609262 -2.747323
O -2.427815 -2.675159 -0.020149
O 2.427724 -2.675411 0.019980
O -3.533380 0.556306 -0.831313
O 3.533341 0.556560 0.831211
O -5.662672 0.765216 0.115750
O 5.662722 0.765219 -0.115712
N -2.513900 -0.718706 1.288660
N 2.513993 -0.718810 -1.288597
C -0.321275 -1.633171 0.702346
C 0.321279 -1.633047 -0.702250
C -1.846819 -1.757208 0.607212
C 1.846811 -1.757230 -0.607120
C -1.747676 0.271345 1.925671
C 1.747871 0.271241 -1.925729
C -3.979402 -0.631542 1.222432
C 3.979493 -0.631707 -1.222251
C -4.496448 0.319648 0.132871
C 4.496471 0.319728 -0.132871
C -3.904236 1.484089 -1.953794
C 3.904146 1.484494 1.953584
C -3.549093 2.924988 -1.584395
C 3.549018 2.925341 1.583965
H 0.080087 -2.508811 1.245917
H -0.080163 -2.508536 -1.246006
H -4.362604 -1.644865 1.004418
H -4.376067 -0.286106 2.190279
H 4.362607 -1.645000 -1.003946
H 4.376278 -0.286527 -2.190142
H -4.982281 1.363918 -2.158785
H -3.307661 1.110442 -2.800737
H 4.982181 1.364351 2.158642
H 3.307531 1.110963 2.800551
H -4.158939 3.278768 -0.736349
H -2.481831 3.011160 -1.318661
H -3.745178 3.585145 -2.449455
H 4.158911 3.279005 0.735906
H 2.481771 3.011468 1.318156
H 3.745047 3.585622 2.448944


