%chk=000218685.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218685

0 1
S -3.020066 1.286961 -0.425079
F 2.299126 -0.400387 2.194464
O -2.534752 -3.628653 -0.480509
N 0.169289 -2.079158 0.634754
N -2.746787 -1.341440 -0.226494
C -0.682772 0.106002 -0.083667
C 0.333387 -0.796636 0.166219
C -1.553295 2.281704 -0.465244
C -2.092409 -0.219540 -0.185306
C -0.446448 1.537034 -0.288647
C 1.752932 -0.432600 -0.096734
C -1.702313 3.740481 -0.677585
C -1.093990 -2.608541 1.160442
C -2.183445 -2.602419 0.043262
C 2.688476 -0.240716 0.930702
C 2.186464 -0.249263 -1.421394
C -2.146012 4.457997 0.598013
C 4.018715 0.113497 0.686846
C 3.511454 0.099281 -1.688153
C 4.423121 0.280415 -0.639685
H 0.564049 1.927084 -0.273322
H 0.945650 -2.735185 0.589680
H -0.740377 4.172849 -1.032511
H -2.428871 3.942514 -1.495998
H -1.445701 -2.010482 2.033712
H -0.948818 -3.649493 1.525373
H 1.473489 -0.377381 -2.240611
H -2.212376 5.539975 0.440462
H -1.443878 4.281861 1.422001
H -3.131265 4.111951 0.935752
H 4.720656 0.258863 1.508328
H 3.837925 0.235283 -2.719647
H 5.456340 0.555941 -0.859121


%chk=000218685-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218685

0 1
S -3.027654 1.245592 -0.636016
F 2.667807 -1.481610 1.984372
O -2.474540 -3.771210 -0.092294
N 0.163061 -1.975065 0.802787
N -2.594124 -1.432541 -0.365675
C -0.615273 0.161739 -0.066171
C 0.427905 -0.755666 0.232783
C -1.556390 2.324639 -0.503207
C -2.004471 -0.249821 -0.277890
C -0.423633 1.599094 -0.225910
C 1.851863 -0.459530 -0.082732
C -1.707048 3.812655 -0.675811
C -1.120589 -2.346853 1.396076
C -2.142274 -2.596584 0.230533
C 2.934738 -0.830852 0.756095
C 2.198678 0.192159 -1.301618
C -2.620555 4.478387 0.387502
C 4.279508 -0.574175 0.450863
C 3.539498 0.459999 -1.639572
C 4.584171 0.079338 -0.763187
H 0.548095 2.077883 -0.078867
H 0.905418 -2.677364 0.809393
H -0.698044 4.266334 -0.633064
H -2.110621 4.034425 -1.684455
H -1.475299 -1.522352 2.042378
H -0.996937 -3.270538 1.979485
H 1.391729 0.467625 -1.987601
H -2.684536 5.567553 0.212579
H -2.226245 4.310424 1.405137
H -3.644181 4.064787 0.348268
H 5.058490 -0.879862 1.155083
H 3.771019 0.955255 -2.587491
H 5.627934 0.283933 -1.021470


