%chk=000251458.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251458

0 1
S -2.948420 -0.017448 -1.497945
F 2.584099 0.958240 2.961770
O -0.494728 0.837828 -1.113114
O 1.752710 -1.517502 -0.695302
O 1.033451 4.207211 -1.024572
O 2.929564 -2.767543 -2.157423
O 2.620964 3.757244 3.249953
O -3.834346 -2.402339 -0.845658
N 1.346167 2.048026 -0.252083
N 1.831317 3.982512 1.125351
C 0.997151 -0.932749 -1.796745
C -0.383586 -0.617641 -1.170121
C 1.615133 0.420729 -2.163322
C 0.724615 1.479492 -1.496137
C -1.559152 -1.069650 -2.014202
C 1.367578 3.479006 -0.111079
C 1.740947 1.211953 0.804288
C 2.729774 -2.465269 -1.005703
C 2.181523 1.750353 1.968748
C 2.259745 3.188371 2.249235
C 3.387835 -2.945926 0.224599
C -4.096591 -1.231393 -0.816892
C -5.315503 -0.577583 -0.304056
C 4.538232 -3.742078 0.084554
C 2.893694 -2.632852 1.500538
C 5.193370 -4.214553 1.222773
C 3.555817 -3.109476 2.633840
C -6.550532 -1.216469 -0.513259
C -5.260784 0.644637 0.381661
C 4.704085 -3.897346 2.495363
C -7.726266 -0.622752 -0.052074
C -6.443354 1.229685 0.844967
C -7.672892 0.601027 0.625644
H 0.975538 -1.654267 -2.640771
H -0.448588 -0.969897 -0.114546
H 1.638078 0.567576 -3.260921
H 2.674970 0.480886 -1.844698
H 0.415486 2.333309 -2.154567
H -1.796312 -2.147416 -1.861978
H -1.398720 -0.923549 -3.099382
H 1.687728 0.122759 0.625543
H 1.851483 5.009488 1.226204
H 4.910137 -3.986233 -0.914413
H 1.994044 -2.022202 1.602086
H 6.086345 -4.830895 1.119495
H 3.178087 -2.864558 3.626955
H -6.582694 -2.175878 -1.033763
H -4.305608 1.141686 0.568664
H 5.219932 -4.266223 3.383289
H -8.684654 -1.113616 -0.217184
H -6.403863 2.179377 1.377899
H -8.592405 1.063404 0.985387


%chk=000251458-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251458

0 1
S -3.297125 0.689992 -1.240731
F 3.540312 1.091813 2.911622
O -0.217524 1.243454 -0.450339
O 1.434025 -1.341493 -0.372902
O 2.055072 4.323513 -1.304863
O 2.622529 -2.602717 -1.935032
O 4.501239 3.802283 2.658895
O -3.826516 -1.994642 -1.496710
N 1.943130 2.237671 -0.200581
N 3.256034 3.998821 0.679762
C 0.701430 -0.710936 -1.508542
C -0.593466 -0.117827 -0.918755
C 1.464297 0.519251 -2.046888
C 0.966848 1.719240 -1.190822
C -1.725962 -0.061914 -1.954095
C 2.389878 3.578968 -0.344524
C 2.327815 1.446294 0.880965
C 2.399199 -2.313123 -0.735056
C 3.174737 1.915706 1.845545
C 3.722427 3.275993 1.822715
C 3.075952 -2.905157 0.447918
C -4.301869 -0.895516 -1.116870
C -5.670569 -0.734022 -0.549893
C 4.100273 -3.860753 0.210634
C 2.740596 -2.541850 1.779318
C 4.783660 -4.444485 1.295364
C 3.429739 -3.127502 2.860820
C -6.495116 -1.891809 -0.485319
C -6.170304 0.509293 -0.078516
C 4.451004 -4.077493 2.621865
C -7.798870 -1.804033 0.040719
C -7.475788 0.591958 0.447354
C -8.292466 -0.562308 0.508062
H 0.535946 -1.480106 -2.280496
H -0.918034 -0.675667 -0.025153
H 1.196122 0.683837 -3.104813
H 2.555551 0.383843 -2.000922
H 0.701177 2.593493 -1.807170
H -2.007740 -1.084289 -2.270463
H -1.457614 0.549392 -2.831300
H 1.916143 0.435146 0.912236
H 3.594666 4.963094 0.594916
H 4.342127 -4.126864 -0.823593
H 1.944019 -1.815498 1.961849
H 5.573741 -5.179944 1.111213
H 3.175362 -2.841233 3.886382
H -6.093835 -2.842322 -0.851491
H -5.544911 1.407927 -0.116155
H 4.986153 -4.528135 3.464948
H -8.430106 -2.697768 0.087540
H -7.856394 1.552199 0.810711
H -9.306394 -0.494280 0.917535


