%chk=000251421.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251421

0 1
S 2.837143 1.523791 0.267438
F -2.127477 -0.887299 1.224655
F -3.394941 0.533740 2.111184
F -4.006454 -1.255491 -0.911676
F -5.268071 0.214420 -0.054332
F -4.860861 -1.577903 1.000792
O 2.946123 2.239903 -0.968160
O 3.545356 1.944475 1.451595
O 0.146939 0.550055 -0.837531
N 3.111509 -0.115700 0.005602
N 1.178798 1.695261 0.862769
N -1.205229 1.753089 0.589374
C 2.940794 -1.045606 1.159737
C 2.733883 -0.696488 -1.318749
C 3.752525 -2.329306 0.913013
C 3.548381 -1.974828 -1.570368
C 3.371485 -2.978099 -0.423558
C 0.049392 1.273645 0.142544
C -2.422333 1.172727 0.010991
C -3.035687 0.057663 0.894293
C -4.279394 -0.640116 0.245949
H 3.310896 -0.543563 2.084246
H 1.868032 -1.301508 1.314313
H 1.639815 -0.919402 -1.362409
H 2.946369 0.056510 -2.113887
H 3.589081 -3.034953 1.748368
H 4.834910 -2.087402 0.914488
H 4.621091 -1.717990 -1.680705
H 3.235320 -2.424709 -2.531201
H 3.996452 -3.873017 -0.602294
H 2.324483 -3.336004 -0.389659
H 1.047583 2.245622 1.723383
H -3.172760 1.987320 -0.145636
H -2.182797 0.756580 -1.009129
H -1.308158 2.263284 1.460962


%chk=000251421-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251421

0 1
S 2.839758 1.556698 0.309753
F -2.490631 -0.854115 1.589420
F -3.647049 1.052124 2.098417
F -4.304908 -1.357808 -0.561458
F -5.447884 0.532371 -0.025217
F -5.283856 -1.162368 1.478199
O 2.990061 2.392152 -1.060358
O 3.549866 2.045874 1.674256
O 0.135018 0.246580 -0.750259
N 3.335078 -0.180768 -0.023326
N 1.028235 1.623804 0.911113
N -1.294687 1.571257 0.544057
C 2.893064 -1.122244 1.040785
C 3.077801 -0.639281 -1.418860
C 3.719043 -2.421875 0.867736
C 3.920963 -1.924036 -1.615695
C 3.558447 -2.992757 -0.559340
C -0.026240 1.099955 0.176087
C -2.486087 0.972521 -0.032851
C -3.278771 0.180784 1.017214
C -4.593371 -0.464782 0.487840
H 3.092559 -0.664316 2.024721
H 1.807934 -1.341842 0.946866
H 1.999795 -0.839564 -1.574857
H 3.400077 0.156109 -2.110478
H 3.378947 -3.150199 1.627950
H 4.783174 -2.196516 1.067640
H 4.994819 -1.668904 -1.542788
H 3.732060 -2.299754 -2.639065
H 4.198923 -3.885297 -0.684614
H 2.510168 -3.320721 -0.711040
H 0.930250 2.236630 1.728310
H -3.156101 1.737547 -0.465773
H -2.154671 0.292570 -0.838010
H -1.399584 2.318872 1.230026


