%chk=000267627.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267627

0 1
S -3.966259 -1.209738 -0.650885
F -5.170251 4.056888 1.534131
O -4.231027 -1.160541 -2.080655
O -4.633777 -2.195725 0.187923
O 4.100429 -1.811472 -0.067065
O 2.831805 -0.762659 -1.667818
N 1.883124 -1.843455 0.206205
C -2.259467 -1.380415 -0.417247
C -4.323196 0.364922 0.002981
C -1.772972 -2.035282 0.719581
C -1.364202 -0.900116 -1.379297
C 0.492693 -1.673731 -0.044496
C -0.403571 -2.183779 0.922529
C 0.010723 -1.032602 -1.200880
C -4.296384 1.485024 -0.833913
C -4.668088 0.493193 1.352069
C -4.579988 2.754767 -0.324722
C -4.956955 1.749183 1.891563
C -4.900899 2.852429 1.033309
C 5.692520 0.013554 -0.207704
C 5.336254 -1.352748 -0.715051
C 2.914471 -1.387857 -0.635081
C 5.117793 1.149142 -0.798470
C 6.598562 0.159328 0.852202
C 5.456531 2.422724 -0.335915
C 6.935806 1.436434 1.310098
C 6.367111 2.567797 0.716439
H -2.475008 -2.447180 1.455726
H -1.742437 -0.422991 -2.291527
H -0.039470 -2.693410 1.811196
H 0.704958 -0.648403 -1.956652
H -4.064535 1.369754 -1.899917
H -4.726233 -0.395818 1.991708
H 2.160763 -2.345217 1.058381
H -4.559586 3.633492 -0.967779
H -5.224892 1.859900 2.941222
H 5.199773 -1.383610 -1.813263
H 6.036804 -2.147285 -0.393231
H 4.397400 1.031768 -1.613477
H 7.038725 -0.718476 1.322715
H 5.009897 3.303304 -0.795745
H 7.641465 1.549262 2.131639
H 6.631790 3.561745 1.074170


%chk=000267627-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267627

0 1
S -4.085486 -1.272892 -0.601676
F -5.765736 4.144302 1.476330
O -4.376495 -1.236181 -2.212979
O -4.750101 -2.368888 0.420020
O 4.175861 -1.782494 -0.058226
O 2.892149 -0.781160 -1.767315
N 1.932563 -1.805365 0.145772
C -2.215481 -1.395653 -0.378107
C -4.575021 0.435501 0.060876
C -1.728260 -2.012754 0.785421
C -1.379860 -0.932633 -1.406325
C 0.543773 -1.650595 -0.076202
C -0.334819 -2.135859 0.933909
C 0.016236 -1.053064 -1.255341
C -4.619510 1.506711 -0.846660
C -4.942137 0.541102 1.412472
C -5.022361 2.771946 -0.365129
C -5.345291 1.805155 1.896824
C -5.366017 2.886002 0.995174
C 5.909408 0.003817 -0.220524
C 5.439542 -1.333300 -0.747664
C 2.977608 -1.389694 -0.671829
C 5.431940 1.210291 -0.796051
C 6.832354 0.067248 0.854221
C 5.866932 2.458054 -0.297949
C 7.269520 1.314977 1.351757
C 6.786428 2.513325 0.776106
H -2.423126 -2.407325 1.533740
H -1.810492 -0.510693 -2.320485
H 0.073910 -2.614623 1.831682
H 0.696832 -0.699467 -2.031818
H -4.375460 1.346240 -1.901729
H -4.940630 -0.344841 2.055446
H 2.226443 -2.269365 1.008468
H -5.079050 3.645219 -1.020462
H -5.644670 1.953530 2.937811
H 5.232992 -1.301028 -1.831032
H 6.145910 -2.144107 -0.511832
H 4.716318 1.161472 -1.624643
H 7.207841 -0.861755 1.301023
H 5.494304 3.384832 -0.747970
H 7.984965 1.354067 2.180599
H 7.126372 3.482044 1.159296


