%chk=000227840.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227840

0 1
Cl 1.374233 3.741627 0.599261
S -3.353899 0.057982 2.278043
N 1.910289 -1.220235 -1.106445
N -1.975631 0.010278 -0.488883
C 3.137236 -0.765781 -0.345329
C 4.243080 -0.764524 -1.439079
C 3.534834 -1.706587 0.824283
C 2.851861 0.651345 0.197286
C 3.864717 -1.879404 -2.424228
C 2.354751 -2.115181 -2.228674
C 4.721686 -1.149207 1.620928
C 4.033482 1.206169 1.000863
C 4.427389 0.262880 2.145230
C 0.815897 -1.810505 -0.281604
C -0.484171 -1.915848 -1.098581
C -1.037623 -0.544117 -1.512201
C -1.492080 0.951036 0.451822
C -3.282481 -0.556040 -0.408423
C -2.108064 1.142698 1.709325
C -4.039829 -0.524391 0.778784
C -0.391526 1.775662 0.119281
C -3.868530 -1.131316 -1.558573
C -1.694569 2.147978 2.581199
C -5.344109 -1.015190 0.821780
C 0.018052 2.751736 1.020838
C -5.165708 -1.639890 -1.505530
C -0.613275 2.969540 2.245999
C -5.910404 -1.582933 -0.322956
H 5.243167 -0.916884 -1.004147
H 4.272165 0.212691 -1.952275
H 3.778173 -2.709686 0.431809
H 2.678587 -1.840444 1.510846
H 1.946482 0.628991 0.835791
H 2.604826 1.334014 -0.638201
H 4.096086 -1.591591 -3.462561
H 4.437876 -2.799423 -2.220054
H 1.782433 -1.811654 -3.129390
H 2.140702 -3.185858 -2.045555
H 5.627744 -1.131054 0.983725
H 4.954667 -1.824948 2.464775
H 3.764933 2.201357 1.406142
H 4.900627 1.372192 0.334216
H 3.611933 0.222626 2.892791
H 5.310762 0.661165 2.677155
H 1.067503 -2.814595 0.125385
H 0.645246 -1.140171 0.592806
H -0.316067 -2.524691 -2.007944
H -1.236239 -2.474408 -0.504324
H -1.574089 -0.617839 -2.485927
H -0.192631 0.171330 -1.681382
H 0.132724 1.641934 -0.831900
H -3.313426 -1.170388 -2.495480
H -2.205042 2.294894 3.536446
H -5.922507 -0.963666 1.746546
H -5.604206 -2.081877 -2.400645
H -0.275211 3.751801 2.921293
H -6.923825 -1.975501 -0.293260


%chk=000227840-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227840

0 1
Cl 0.299241 4.916988 -1.450165
S -1.927522 0.239361 2.381352
N 1.867088 -1.261423 -1.215139
N -1.575219 0.064978 -0.649673
C 2.859420 -0.903528 -0.134069
C 3.990828 -0.279130 -0.998750
C 3.363138 -2.153767 0.661861
C 2.241988 0.120950 0.849955
C 4.036248 -1.140438 -2.291411
C 2.613529 -1.763150 -2.402259
C 4.315775 -1.790960 1.828952
C 3.212051 0.500679 1.994913
C 3.673092 -0.751836 2.777228
C 0.686305 -2.063784 -0.851039
C -0.482935 -1.865597 -1.846594
C -0.945983 -0.393003 -1.914107
C -1.227082 1.337422 -0.111610
C -2.751943 -0.595894 -0.174891
C -1.393351 1.604069 1.277835
C -3.095012 -0.556043 1.204935
C -0.725177 2.380324 -0.938159
C -3.621750 -1.293615 -1.056436
C -1.070457 2.860514 1.823440
C -4.266884 -1.169270 1.688038
C -0.370450 3.611039 -0.359865
C -4.777740 -1.940571 -0.568815
C -0.530318 3.884485 1.009879
C -5.109798 -1.880702 0.802826
H 4.962821 -0.258189 -0.478403
H 3.714584 0.763014 -1.242545
H 3.861011 -2.865734 -0.026817
H 2.481006 -2.679148 1.082159
H 1.321745 -0.302678 1.301933
H 1.932968 1.018497 0.281593
H 4.292852 -0.531028 -3.174722
H 4.799305 -1.934908 -2.209417
H 2.101400 -1.462807 -3.336857
H 2.670129 -2.880078 -2.408593
H 5.265433 -1.380612 1.428955
H 4.583441 -2.708280 2.389891
H 2.714287 1.216907 2.677138
H 4.098330 1.022375 1.579401
H 2.794029 -1.209809 3.276983
H 4.386234 -0.468472 3.575725
H 0.919790 -3.157220 -0.803817
H 0.340268 -1.758395 0.153199
H -0.168442 -2.167148 -2.865132
H -1.314459 -2.534646 -1.558487
H -1.614613 -0.225998 -2.784891
H -0.031274 0.205056 -2.062129
H -0.625046 2.240387 -2.016388
H -3.398649 -1.326949 -2.126763
H -1.220285 3.039009 2.893124
H -4.509013 -1.102302 2.753964
H -5.424897 -2.480975 -1.268247
H -0.251077 4.853395 1.430528
H -6.009957 -2.375262 1.181484


