%chk=000243952.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243952

0 1
S -2.475757 0.525691 0.524357
F -5.517149 -1.395760 1.149025
O 4.463103 1.169815 0.587823
O 5.432251 -1.593147 1.925524
O 6.253901 -1.378198 -0.435246
O 4.349908 2.185245 -2.335143
N 2.422497 0.376961 1.472329
N 0.362847 1.313988 1.939192
N 1.706139 -1.186667 -0.352272
N -0.743952 -1.057680 -0.762133
N 0.661841 -2.453602 -2.055790
C 4.373034 -1.180761 1.082678
C 3.890141 0.236035 1.509518
C 4.872958 -0.999023 -0.380269
C 4.864085 0.518910 -0.655031
C 3.899386 0.954093 -1.765126
C 1.504497 -0.224110 0.600485
C 1.655160 1.328951 2.249210
C 0.217533 0.359556 0.915709
C -0.893787 -0.112298 0.187102
C 0.544441 -1.551047 -1.010985
C -3.562735 -0.346885 -0.655231
C -4.900350 0.259524 -0.422597
C -5.832471 -0.287051 0.477562
C -5.280870 1.428177 -1.105630
C -7.092003 0.273280 0.708025
C -6.533879 2.007225 -0.891816
C -7.436710 1.433710 0.011031
H 3.603814 -1.974529 1.207701
H 4.270548 0.555385 2.510997
H 4.283678 -1.593281 -1.106652
H 5.894495 0.913105 -0.835737
H 2.865509 1.068728 -1.391245
H 3.912112 0.260032 -2.627908
H 6.279678 -1.128950 1.671864
H 6.341844 -2.353456 -0.320806
H 2.134915 1.951381 2.993015
H 4.275352 2.908581 -1.673101
H -3.527448 -1.441623 -0.480120
H -3.200500 -0.205003 -1.694761
H 1.511152 -2.989239 -2.147095
H -0.179644 -2.861678 -2.439059
H -4.585024 1.889836 -1.808311
H -7.786061 -0.180148 1.414801
H -6.808448 2.913635 -1.430169
H -8.411829 1.892893 0.173284


%chk=000243952-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243952

0 1
S -2.572434 0.800485 0.768887
F -5.486823 -1.740083 0.892671
O 4.442586 1.189553 0.226773
O 5.570852 -1.082636 2.160686
O 6.017642 -2.020916 -0.282009
O 5.106814 1.953126 -2.449207
N 2.423354 0.621336 1.421093
N 0.397014 1.477252 2.104012
N 1.640840 -0.788665 -0.473312
N -0.804478 -0.659810 -0.758098
N 0.516606 -1.971468 -2.167900
C 4.395498 -0.984924 1.303430
C 3.881722 0.473504 1.385906
C 4.814696 -1.172838 -0.189655
C 5.184917 0.246831 -0.662798
C 4.772040 0.572252 -2.100807
C 1.461374 0.074138 0.563232
C 1.717261 1.462583 2.314947
C 0.213020 0.612885 1.006708
C -0.937219 0.194565 0.287733
C 0.457452 -1.110562 -1.094207
C -3.641126 -0.087980 -0.555253
C -5.081870 0.299719 -0.356427
C -5.976429 -0.526685 0.360305
C -5.615181 1.506728 -0.880474
C -7.330276 -0.216966 0.566583
C -6.970553 1.853782 -0.691509
C -7.828888 0.992363 0.032698
H 3.625113 -1.711089 1.623388
H 4.273581 0.935436 2.308697
H 3.966689 -1.583328 -0.763870
H 6.268318 0.422354 -0.521591
H 3.684813 0.378263 -2.218150
H 5.341394 -0.057208 -2.806450
H 6.264463 -1.569537 1.629230
H 5.758688 -2.958463 -0.462055
H 2.235497 2.026582 3.088209
H 4.689623 2.539138 -1.765859
H -3.466906 -1.164847 -0.426723
H -3.248457 0.231241 -1.531898
H 1.414254 -2.323041 -2.486292
H -0.346008 -2.220748 -2.643066
H -4.948933 2.176420 -1.436183
H -7.965353 -0.906384 1.130257
H -7.356359 2.791013 -1.105201
H -8.880623 1.257229 0.182546


