%chk=000279320.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279320

0 1
Cl 5.497165 -2.049969 1.224419
S 4.928069 -0.743757 -1.729937
F 3.824039 -1.835620 -2.010203
O 4.746551 0.192739 -2.800630
O 6.128380 -1.494117 -1.555754
N -3.196120 -0.721768 -0.077963
N -2.408345 -3.074797 0.280045
N -4.100910 -2.063905 1.727773
N -4.748868 0.186286 1.552134
N -3.067034 -4.131333 2.289649
C -2.439136 -1.949299 -0.660957
C 0.059455 4.080412 0.553124
C -1.444288 3.865939 0.787483
C -2.868577 0.601630 -0.555774
C 0.873493 2.810686 0.831053
C -2.022264 2.838677 -0.148290
C -3.201794 -2.376650 -1.925836
C -0.994811 -1.537914 -0.963047
C -2.334554 1.558137 0.324570
C 2.381238 3.069529 0.685657
C -4.004132 -0.904512 1.062996
C -3.088725 0.917315 -1.906687
C -2.244581 3.156505 -1.498482
C 3.161501 1.790517 0.804154
C -2.770181 2.197063 -2.366177
C -3.171166 -3.085119 1.358711
C 3.640172 1.143719 -0.339903
C 3.412619 1.223885 2.068353
C 4.372147 -0.052153 -0.244361
C 4.133673 0.037325 2.179351
C 4.609330 -0.591762 1.019398
H 0.230069 4.415472 -0.489426
H 0.410948 4.907632 1.200476
H -1.620970 3.576799 1.844205
H -1.977625 4.831446 0.659922
H 0.650979 2.427380 1.845411
H 0.558817 2.005819 0.134800
H -3.212754 -1.589142 -2.688014
H -4.240234 -2.646897 -1.703098
H -2.727474 -3.266905 -2.362650
H -0.499750 -1.112505 -0.081754
H -0.922180 -0.816636 -1.782077
H -0.408016 -2.426420 -1.245850
H -2.162823 1.299186 1.369448
H 2.586469 3.563265 -0.287508
H 2.718621 3.797078 1.452749
H -3.496332 0.166983 -2.586389
H -2.002411 4.149638 -1.870165
H -2.936875 2.448143 -3.414237
H 3.445737 1.580979 -1.329844
H 3.038564 1.717026 2.968250
H -5.441399 -0.041066 2.261427
H -5.051705 0.889297 0.891348
H 4.327241 -0.402840 3.159670
H -2.667568 -4.996677 1.950080
H -3.840876 -4.243238 2.931155


%chk=000279320-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279320

0 1
Cl 5.609474 -2.103157 0.811945
S 3.607755 -1.291692 -1.833883
F 2.709277 -2.681917 -0.982455
O 2.538370 -0.578405 -2.803008
O 4.962649 -1.910744 -2.425838
N -3.013023 -0.736042 -0.127068
N -2.130660 -2.908300 0.675091
N -4.488096 -2.287648 0.974875
N -5.275346 -0.183793 0.351032
N -3.575834 -4.153812 2.038142
C -1.988905 -1.877201 -0.363197
C 0.039938 4.181229 0.858068
C -1.479128 3.900863 1.058283
C -2.755771 0.619735 -0.543953
C 0.914850 2.919224 1.010604
C -2.031933 2.908311 0.043293
C -2.265682 -2.500455 -1.760067
C -0.558660 -1.310277 -0.292085
C -2.305312 1.568836 0.409785
C 2.419452 3.195928 0.734516
C -4.244961 -1.102655 0.398525
C -2.955270 1.021797 -1.889427
C -2.234758 3.293508 -1.309203
C 3.240930 1.918260 0.736911
C -2.693020 2.359675 -2.264423
C -3.344785 -3.091498 1.180525
C 3.125918 1.005078 -0.340795
C 4.098511 1.572118 1.811175
C 3.852653 -0.195193 -0.315801
C 4.817850 0.357092 1.826064
C 4.698174 -0.549386 0.752306
H 0.197548 4.614241 -0.151112
H 0.360657 4.952382 1.587396
H -1.642211 3.518875 2.084320
H -2.023635 4.862321 0.982573
H 0.798973 2.499437 2.030285
H 0.556767 2.139613 0.311159
H -2.081768 -1.772356 -2.571244
H -3.308096 -2.861578 -1.819088
H -1.590760 -3.361336 -1.905515
H -0.376641 -0.851672 0.695384
H -0.365645 -0.570533 -1.089186
H 0.144973 -2.149549 -0.413048
H -2.164478 1.238234 1.445468
H 2.506878 3.698449 -0.249177
H 2.811498 3.901514 1.491467
H -3.312780 0.293502 -2.624733
H -2.036881 4.329534 -1.611687
H -2.849966 2.672498 -3.302794
H 2.474336 1.220078 -1.195883
H 4.206026 2.260758 2.656594
H -6.146493 -0.450348 0.802124
H -5.193656 0.691113 -0.159419
H 5.468943 0.101621 2.667187
H -2.821737 -4.805976 2.231612
H -4.485712 -4.238799 2.480176


