%chk=000216665.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216665

0 1
Cl 1.727185 -5.224191 0.920788
S -2.031889 -0.792130 -1.322206
N 0.641867 0.704167 -0.211290
N 3.491601 1.358136 0.391359
C 1.079578 2.086569 0.188565
C 1.767256 0.290614 -1.119880
C 1.396171 2.712457 -1.196362
C 1.849052 1.516769 -2.068367
C 2.346968 2.041648 1.084305
C 3.092883 0.104234 -0.334252
C 0.305436 -0.227194 0.904772
C -0.968470 0.236869 1.658472
C 0.073194 -1.624010 0.360882
C 4.571734 1.052183 1.377083
C -1.935431 1.046166 0.847379
C -0.955211 -1.925352 -0.535358
C 0.906071 -2.661896 0.818520
C -2.399362 0.664039 -0.412746
C -2.408548 2.256509 1.397519
C -1.162966 -3.243989 -0.979641
C 0.693789 -3.959202 0.360808
C -0.332731 -4.271808 -0.536647
C -3.301830 1.473406 -1.126348
C -3.310992 3.056352 0.701395
C -3.757081 2.665706 -0.568465
H 0.256385 2.615580 0.713210
H 1.504999 -0.645055 -1.657564
H 2.184588 3.477089 -1.122879
H 0.499447 3.193836 -1.617500
H 1.181375 1.381215 -2.933985
H 2.870318 1.662861 -2.452050
H 2.685989 3.079690 1.293842
H 2.092109 1.585681 2.063266
H 3.008605 -0.780548 0.329411
H 3.915569 -0.114241 -1.050311
H 1.134455 -0.272319 1.667433
H -0.651134 0.811008 2.554090
H -1.498063 -0.653727 2.066238
H 4.290645 0.356130 2.180317
H 4.912953 1.993722 1.836835
H 5.435760 0.629153 0.839106
H 1.710604 -2.455721 1.524371
H -2.063892 2.569690 2.381537
H -1.977237 -3.474942 -1.672370
H -0.481598 -5.296429 -0.876403
H -3.652488 1.177959 -2.117807
H -3.668977 3.985683 1.140400
H -4.457083 3.292434 -1.117472


%chk=000216665-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216665

0 1
Cl 1.531044 -5.442430 1.069030
S -1.995926 -0.714570 -1.545589
N 0.739190 0.645934 -0.160888
N 3.544905 1.402482 0.409000
C 1.138884 2.034262 0.237293
C 1.878389 0.247759 -1.047815
C 1.442396 2.666013 -1.150305
C 1.932566 1.459274 -2.019851
C 2.406586 2.013808 1.136525
C 3.200668 0.113703 -0.241230
C 0.288165 -0.286294 0.891183
C -0.973433 0.274709 1.629385
C 0.015912 -1.678372 0.324113
C 4.771361 1.328335 1.217440
C -1.974694 1.071053 0.802473
C -0.982165 -1.948567 -0.649290
C 0.762788 -2.766591 0.841905
C -2.460329 0.716852 -0.483894
C -2.493090 2.261000 1.386965
C -1.199689 -3.277816 -1.096047
C 0.537638 -4.074529 0.380784
C -0.436607 -4.352442 -0.594627
C -3.419190 1.533158 -1.142555
C -3.448702 3.073022 0.744775
C -3.913904 2.703917 -0.537631
H 0.314853 2.546158 0.762673
H 1.657337 -0.704047 -1.559595
H 2.211083 3.453132 -1.070949
H 0.521213 3.107636 -1.567176
H 1.253779 1.283891 -2.871479
H 2.954020 1.618887 -2.404162
H 2.681819 3.049908 1.414113
H 2.180349 1.470440 2.093789
H 3.101552 -0.719932 0.504071
H 4.026028 -0.165158 -0.924648
H 1.054694 -0.434704 1.693464
H -0.627754 0.930639 2.450557
H -1.476038 -0.583641 2.117165
H 4.678272 0.647533 2.103175
H 5.036347 2.334981 1.589366
H 5.608052 0.961686 0.595228
H 1.524034 -2.577963 1.606008
H -2.127042 2.545976 2.381684
H -1.983168 -3.476473 -1.835011
H -0.611227 -5.374003 -0.943245
H -3.782029 1.241903 -2.135323
H -3.822602 3.978370 1.234358
H -4.654734 3.315913 -1.063213


