%chk=000279749.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279749

0 1
Cl -0.174467 -1.879625 1.556573
Cl -5.479472 -1.792208 1.354371
S -7.737584 0.074204 -0.116508
F -8.044762 0.801361 1.249828
O -1.118550 0.199155 -0.047591
O -8.425037 0.877629 -1.084081
O -8.060218 -1.291759 0.133175
N 4.462558 -0.130939 0.157404
N 6.628207 -0.963393 -0.784278
N 6.561903 0.828751 0.882731
N 4.550816 1.788688 1.637989
N 8.598098 0.175864 -0.153608
C 5.172883 -1.131877 -0.797301
C 4.833401 -2.545131 -0.302759
C 4.663169 -0.885625 -2.224172
C 3.027762 0.000844 0.078691
C 5.222829 0.804557 0.881932
C 2.221682 -0.907215 0.794317
C 2.445730 1.016960 -0.697223
C 7.216836 -0.042687 -0.040764
C 0.254441 0.226271 -0.079022
C 0.839999 -0.792966 0.708703
C 1.055584 1.134488 -0.779197
C -1.840471 1.176875 -0.853733
C -3.296004 0.860443 -0.634406
C -3.691494 -0.207809 0.173638
C -4.262955 1.665716 -1.265448
C -6.032980 0.321779 -0.265973
C -5.057352 -0.464905 0.349245
C -5.614050 1.392288 -1.078205
H 5.437563 -3.282423 -0.853596
H 5.075219 -2.675792 0.758057
H 3.781184 -2.799733 -0.454657
H 5.212695 -1.530330 -2.927293
H 3.597730 -1.103407 -2.334365
H 4.844459 0.145251 -2.549502
H 2.677250 -1.691365 1.404739
H 3.084361 1.722229 -1.234967
H 0.621252 1.926166 -1.383409
H 5.147266 2.338718 2.254062
H 3.666501 1.535302 2.058981
H -1.549169 1.050296 -1.915034
H -1.581245 2.192187 -0.494918
H 9.142863 -0.572876 -0.560727
H 9.045239 0.664421 0.610544
H -2.933992 -0.835959 0.663600
H -3.961211 2.499325 -1.898601
H -6.366869 2.020057 -1.578440


%chk=000279749-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279749

0 1
Cl -0.099994 -2.084553 1.619918
Cl -5.782152 -1.730120 1.374419
S -7.986553 0.302800 -0.241765
F -8.164659 0.720895 1.553220
O -1.156402 0.107874 -0.040603
O -8.646444 1.517843 -1.062910
O -8.517896 -1.197630 -0.417340
N 4.520737 -0.098463 0.051895
N 6.648423 -0.600609 -1.121311
N 6.601612 0.701936 0.960532
N 4.593171 1.279503 1.991241
N 8.541019 0.530747 -0.322307
C 5.295968 -1.101053 -0.843528
C 5.382514 -2.460395 -0.094251
C 4.556552 -1.258237 -2.185729
C 3.086889 -0.020878 0.025020
C 5.267798 0.609064 0.990110
C 2.296301 -0.957785 0.747694
C 2.437276 0.990052 -0.723963
C 7.214221 0.161260 -0.193073
C 0.240057 0.125351 -0.060010
C 0.896865 -0.879861 0.696732
C 1.029652 1.065322 -0.768357
C -1.872480 1.115627 -0.819696
C -3.361068 0.878790 -0.641553
C -3.836373 -0.179051 0.166014
C -4.278311 1.739177 -1.295590
C -6.115042 0.479636 -0.345719
C -5.223278 -0.382066 0.319207
C -5.663484 1.545040 -1.148039
H 6.000596 -3.156189 -0.687427
H 5.865147 -2.325415 0.890194
H 4.383683 -2.913455 0.045220
H 5.153576 -1.936003 -2.817416
H 3.545211 -1.682834 -2.061310
H 4.488454 -0.286120 -2.702831
H 2.780068 -1.736942 1.343459
H 3.046627 1.713419 -1.273907
H 0.555651 1.854902 -1.358458
H 5.158217 1.837370 2.626535
H 3.595240 1.165140 2.144235
H -1.596602 1.033720 -1.892192
H -1.602111 2.133398 -0.467509
H 9.078958 0.181353 -1.109692
H 8.937926 1.177418 0.352274
H -3.125161 -0.834434 0.674080
H -3.918622 2.564362 -1.920146
H -6.390183 2.201896 -1.636563


