%chk=000251499.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251499

0 1
S 3.911582 0.157002 -0.713351
F -3.061154 3.508952 0.444729
O 0.011058 0.441180 -1.548188
O 2.075239 -1.930515 -0.336869
O -3.183861 -1.832027 -0.115239
O 3.298620 -1.544341 1.537041
O -5.185891 1.970910 1.471867
O 3.054335 2.167517 0.766097
N -2.073453 0.162280 -0.479826
N -4.192132 0.080608 0.682686
C 1.051843 -0.995583 0.095653
C 1.184512 0.348970 -0.666319
C -0.270915 -1.615226 -0.366040
C -0.958139 -0.549956 -1.225442
C 2.367594 0.476085 -1.606630
C -3.162080 -0.622878 0.021815
C -2.055777 1.558365 -0.338398
C 3.194656 -2.102373 0.468506
C -3.073239 2.184230 0.305427
C -4.239923 1.509467 0.883213
C 3.906109 1.334966 0.687025
C 4.080413 -3.113316 -0.166218
C 5.024096 1.025262 1.596643
H 1.127200 -0.861755 1.197859
H 1.099767 1.222737 0.024337
H -0.075233 -2.533674 -0.964146
H -0.894235 -1.969828 0.479224
H -1.369271 -0.905392 -2.199784
H 2.384958 1.476172 -2.085794
H 2.307927 -0.273838 -2.426657
H -1.193663 2.090378 -0.777491
H -4.976864 -0.482720 1.046140
H 3.711314 -3.440205 -1.152367
H 4.168602 -4.007733 0.471913
H 5.097847 -2.713647 -0.309389
H 5.994529 0.915689 1.088589
H 4.832432 0.062979 2.125739
H 5.142297 1.798559 2.374345


%chk=000251499-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251499

0 1
S 4.351135 0.511273 -0.031686
F -3.441322 3.363952 0.338985
O 0.306587 0.479639 -0.953517
O 1.991979 -2.046932 -0.545040
O -2.988928 -2.048039 -0.603418
O 2.333671 -3.621113 1.143828
O -5.749329 1.635320 0.332474
O 3.367670 2.983893 0.648083
N -1.986871 0.063215 -0.368459
N -4.327731 -0.169717 -0.148006
C 1.432923 -1.110421 0.469137
C 1.534006 0.316689 -0.101053
C -0.085077 -1.324544 0.603268
C -0.653312 -0.573456 -0.626300
C 2.732324 0.635287 -0.993059
C -3.100814 -0.808319 -0.390857
C -2.115345 1.428918 -0.131828
C 2.423374 -3.299979 -0.059450
C -3.340011 1.992087 0.111196
C -4.582541 1.213268 0.123914
C 4.322016 2.190000 0.790264
C 2.996965 -4.127655 -1.184776
C 5.571127 2.466499 1.601408
H 1.976748 -1.245347 1.417662
H 1.475925 1.047217 0.729781
H -0.372438 -2.385339 0.617042
H -0.444804 -0.852880 1.535841
H -0.785182 -1.243438 -1.492503
H 2.655126 1.668928 -1.365282
H 2.811970 -0.079161 -1.823844
H -1.195690 2.014982 -0.184430
H -5.151438 -0.780553 -0.159974
H 2.320358 -4.121161 -2.055259
H 3.162007 -5.158161 -0.839463
H 3.960613 -3.696657 -1.510985
H 6.156605 1.553610 1.793618
H 5.292561 2.943138 2.556811
H 6.206245 3.182258 1.046578


