%chk=000267628.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267628

0 1
S 3.682361 -1.769700 0.019451
F 6.395449 3.376120 -0.334258
O -4.152375 0.214606 0.653087
O -2.850044 0.008194 -1.220144
O 4.165304 -2.437331 1.220838
O 3.802231 -2.416476 -1.278443
N -2.015017 -0.357583 0.957625
C -5.343808 0.552257 -0.175128
C -5.924232 -0.756178 -0.710202
C -6.244649 1.252543 0.842786
C -7.317105 -0.508283 -1.302038
C -7.633891 1.484579 0.235092
C -8.243460 0.176014 -0.287090
C -2.983004 -0.043795 -0.018219
C -0.661545 -0.695798 0.684668
C 2.022547 -1.352264 0.272240
C 0.173109 -0.965678 1.793864
C -0.154849 -0.769229 -0.626756
C 1.506710 -1.297598 1.571845
C 1.182320 -1.105833 -0.819541
C 4.490997 -0.229963 -0.086105
C 4.999459 0.366299 1.071999
C 4.656102 0.382084 -1.332577
C 5.650088 1.600892 1.004283
C 5.301823 1.616963 -1.433679
C 5.780639 2.197178 -0.254379
H -5.002356 1.226358 -0.988591
H -5.978662 -1.505436 0.103973
H -5.247799 -1.186747 -1.475707
H -5.791252 2.209067 1.163663
H -6.321276 0.634771 1.760648
H -7.758122 -1.469350 -1.628991
H -7.232655 0.112575 -2.215547
H -7.567197 2.223642 -0.587187
H -8.300191 1.935057 0.995416
H -9.226754 0.378389 -0.751944
H -8.441301 -0.509131 0.560071
H -2.320231 -0.345951 1.937829
H -0.213703 -0.925870 2.808951
H -0.804675 -0.572198 -1.487176
H 2.154473 -1.528651 2.427027
H 1.572093 -1.187723 -1.841345
H 4.900954 -0.140142 2.039824
H 4.289768 -0.112025 -2.240873
H 6.048097 2.074300 1.900479
H 5.433234 2.102845 -2.399439


%chk=000267628-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267628

0 1
S 3.790252 -1.756498 -0.037434
F 6.849053 3.448168 -0.257299
O -4.254386 0.108372 0.740389
O -2.985971 -0.058278 -1.242611
O 4.300980 -2.513860 1.323653
O 3.907085 -2.402687 -1.537824
N -2.073621 -0.427767 0.917114
C -5.488639 0.424363 -0.058584
C -6.153869 -0.879836 -0.531809
C -6.399583 1.244564 0.862991
C -7.487184 -0.561612 -1.255551
C -7.734845 1.562238 0.141995
C -8.430624 0.271613 -0.355352
C -3.085552 -0.124931 0.007629
C -0.719984 -0.727472 0.639863
C 1.976064 -1.315676 0.236381
C 0.131785 -0.985602 1.751800
C -0.202519 -0.792254 -0.684983
C 1.491716 -1.286318 1.554365
C 1.159078 -1.096409 -0.883677
C 4.718500 -0.103577 -0.101565
C 5.244352 0.405626 1.097144
C 4.901405 0.503810 -1.354828
C 5.968436 1.617226 1.046171
C 5.624738 1.715742 -1.408902
C 6.130632 2.241446 -0.205106
H -5.167991 1.020349 -0.935435
H -6.350361 -1.519649 0.351419
H -5.469023 -1.428302 -1.203522
H -5.886424 2.174974 1.168533
H -6.601417 0.658868 1.781433
H -7.976429 -1.505265 -1.561518
H -7.273232 0.003105 -2.186190
H -7.537375 2.227876 -0.723490
H -8.400434 2.120638 0.826834
H -9.355267 0.527757 -0.907069
H -8.736401 -0.339650 0.518743
H -2.368113 -0.422418 1.896385
H -0.273804 -0.957300 2.770175
H -0.866503 -0.610938 -1.532037
H 2.155280 -1.520283 2.393101
H 1.571273 -1.188002 -1.894049
H 5.114738 -0.145815 2.033919
H 4.515266 0.026448 -2.261112
H 6.404164 2.065317 1.943211
H 5.802360 2.237701 -2.352999


