%chk=000274731.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274731

0 1
S -6.066728 -1.154059 0.663324
F -7.361632 -0.422938 0.110246
O -5.829110 -2.176190 -0.310999
O -6.412665 -1.438593 2.023948
N 3.141054 -1.068943 -0.289172
N 2.016972 -3.262028 -0.751390
N 3.318378 -2.902429 1.288321
N 4.253106 -0.824607 1.855271
N 1.923787 -4.810944 1.030883
C 2.456369 -1.991243 -1.337385
C 0.411223 3.932990 0.772312
C 1.800206 3.482754 1.252037
C 3.119206 0.361488 -0.484893
C -0.609731 2.789194 0.808511
C 2.474374 2.580757 0.253643
C 1.222558 -1.272090 -1.894204
C 3.505694 -2.277659 -2.424589
C 2.487049 1.195103 0.453875
C -1.984339 3.255151 0.302609
C 3.556942 -1.632598 0.935771
C 3.735317 0.906573 -1.623928
C 3.089604 3.126586 -0.885509
C -2.991597 2.144157 0.397717
C 3.710884 2.289627 -1.814390
C 2.421266 -3.635974 0.450461
C -3.155038 1.242153 -0.667963
C -3.776238 1.998632 1.555354
C -4.892860 0.089243 0.565990
C -4.100413 0.221004 -0.581830
C -4.719870 0.975951 1.636951
H 0.485961 4.342231 -0.254865
H 0.062761 4.770316 1.408471
H 2.432338 4.376428 1.437911
H 1.714959 2.982162 2.238814
H -0.701546 2.392338 1.838715
H -0.248527 1.940599 0.191816
H 0.647514 -1.965123 -2.527872
H 0.543676 -0.954423 -1.093111
H 1.479037 -0.397331 -2.497739
H 3.084072 -2.956915 -3.178632
H 3.834705 -1.364230 -2.933189
H 4.392294 -2.773042 -2.012271
H 2.008234 0.760937 1.332109
H -2.322739 4.138169 0.883808
H -1.898826 3.614324 -0.744396
H 4.220845 0.252734 -2.350797
H 3.080203 4.202314 -1.045573
H 4.186320 2.718597 -2.696948
H -2.539938 1.338247 -1.561996
H -3.645528 2.684087 2.391689
H 4.675039 -1.317984 2.638310
H 4.817516 -0.068450 1.491955
H -4.218526 -0.483377 -1.414630
H -5.323717 0.864190 2.545717
H 1.524901 -5.495197 0.402054
H 2.444605 -5.192271 1.808778


%chk=000274731-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000274731

0 1
S -5.969775 -1.396164 0.205855
F -7.198048 -0.641523 -0.970988
O -5.350330 -2.662963 -0.564572
O -6.746473 -1.533914 1.606268
N 3.036365 -1.048790 -0.231290
N 1.648390 -3.102982 -0.169028
N 3.877853 -3.023657 0.859145
N 5.113886 -1.047667 0.922131
N 2.436584 -4.822064 1.217569
C 1.969060 -1.904665 -0.955808
C 0.462480 4.005886 0.934419
C 1.890891 3.573972 1.382428
C 3.117455 0.378143 -0.421188
C -0.553741 2.843483 0.905974
C 2.571303 2.650315 0.380855
C 0.676955 -1.079220 -1.118278
C 2.534156 -2.321655 -2.343121
C 2.541418 1.244078 0.543457
C -1.942185 3.287081 0.366169
C 3.992214 -1.736997 0.505908
C 3.761499 0.927846 -1.559575
C 3.211992 3.183550 -0.769935
C -2.945153 2.146032 0.321924
C 3.804836 2.330959 -1.727481
C 2.621607 -3.607304 0.581482
C -2.780906 1.084563 -0.609993
C -4.043104 2.102107 1.221151
C -4.757399 0.022525 0.250233
C -3.689041 0.008110 -0.662337
C -4.969575 1.037168 1.196628
H 0.524400 4.466630 -0.072820
H 0.097987 4.795517 1.622219
H 2.502309 4.486442 1.521200
H 1.821189 3.079699 2.370629
H -0.673410 2.425623 1.925890
H -0.162949 2.022965 0.274233
H -0.072962 -1.730434 -1.597376
H 0.286977 -0.780405 -0.130112
H 0.834544 -0.183367 -1.745127
H 1.811138 -2.993536 -2.837431
H 2.700563 -1.443161 -2.993566
H 3.484609 -2.870332 -2.218265
H 2.063549 0.798468 1.423646
H -2.332208 4.109506 0.995539
H -1.801996 3.701782 -0.652240
H 4.221722 0.260219 -2.295609
H 3.251581 4.271068 -0.909240
H 4.305290 2.757577 -2.604008
H -1.937758 1.100527 -1.310001
H -4.180665 2.911667 1.946445
H 5.764939 -1.550931 1.519109
H 5.309751 -0.099508 0.613108
H -3.566986 -0.813176 -1.375171
H -5.816018 0.995463 1.888982
H 1.568514 -5.329594 1.074556
H 3.152080 -5.154565 1.856506


