%chk=000179323.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179323

0 1
Cl 0.080601 -5.357424 0.103610
S -0.065282 -2.365448 0.073727
F -5.161255 3.521866 2.409476
F -3.890811 5.208163 2.506579
F -5.508100 5.174713 1.136404
F -0.541290 6.028468 -1.461301
F -2.135722 5.970404 -2.857119
F -0.507053 4.634815 -3.049427
F 3.576313 0.519234 -2.988623
F 5.615877 0.559721 -2.435507
F 4.774085 -1.201717 -3.260686
F 5.597170 -3.172929 2.926210
F 6.264357 -3.869689 1.045037
F 7.077993 -2.095056 1.870047
F -4.139498 -4.920609 -0.460037
F -3.808026 -4.973528 1.636594
F -2.624179 -6.159938 0.344282
O 0.520801 0.024211 0.675223
O -2.938045 -0.133964 -1.684534
O 1.081727 -0.802487 2.707355
N -1.764795 -0.214994 0.293780
N -2.662442 -2.501784 0.402103
C -2.596041 1.953608 -0.550864
C -2.474055 0.475879 -0.758954
C -3.612952 3.830397 0.579803
C -2.062549 4.202930 -1.251278
C -1.905735 2.820164 -1.407747
C -3.458753 2.446027 0.436628
C -0.789204 0.433565 1.184957
C -2.917649 4.711503 -0.262103
C -1.699704 -1.623480 0.279751
C 2.687305 -0.889740 0.887137
C 4.189772 -0.706401 -0.999880
C 4.867915 -1.935354 0.983457
C 3.639338 -1.648268 1.588629
C 2.955647 -0.416519 -0.405866
C 5.146640 -1.466220 -0.309751
C -4.523926 4.408793 1.631672
C -1.328697 5.175568 -2.137863
C 1.401712 -0.603187 1.563799
C -2.167948 -3.821854 0.336175
C 4.521306 -0.216517 -2.384451
C 5.917250 -2.747410 1.695785
C -0.810568 -3.949147 0.178754
C -3.167619 -4.936450 0.460205
H -1.258964 2.405181 -2.189526
H -4.003771 1.741794 1.077140
H -0.909076 0.098522 2.243164
H -0.795919 1.537418 1.086199
H -3.043884 5.796150 -0.148335
H 3.398275 -2.000564 2.601793
H 2.190171 0.172985 -0.928100
H 6.112359 -1.693304 -0.780625


%chk=000179323-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179323

0 1
Cl -4.496204 -6.116695 -0.610528
S -3.415156 -3.262357 -1.065644
F -2.779635 3.807153 2.331524
F -1.572068 5.459724 1.341021
F -3.667306 4.990657 0.615872
F 1.714249 2.567172 -2.717203
F 0.791685 4.640109 -2.850303
F 0.029812 2.961879 -4.175449
F 2.463593 3.660361 0.110456
F 4.294869 3.375332 1.412513
F 4.519000 3.436998 -0.839265
F 5.117075 -2.831769 -1.314992
F 6.448097 -1.005552 -1.560845
F 6.321952 -2.059894 0.441196
F -4.362413 -4.605738 3.556504
F -2.250649 -5.360328 3.242583
F -4.000346 -6.485642 2.338620
O -0.149551 -0.168545 1.219726
O -2.736811 -0.829524 -1.885486
O 0.581903 -2.371228 0.915408
N -2.251817 -1.079911 0.376891
N -2.843353 -3.076153 1.541078
C -1.863086 1.120583 -0.774095
C -2.322186 -0.310333 -0.806927
C -1.903525 3.396633 0.108636
C -0.516779 2.874046 -1.814408
C -0.973674 1.539385 -1.789342
C -2.350143 2.058903 0.163416
C -1.490290 -0.655149 1.582892
C -0.969509 3.811695 -0.864296
C -2.783124 -2.390753 0.414069
C 2.111539 -0.504521 0.518330
C 3.502255 1.464056 0.141396
C 4.402176 -0.758286 -0.280000
C 3.179473 -1.339457 0.113836
C 2.275027 0.900769 0.540918
C 4.573884 0.643035 -0.271682
C -2.464035 4.399421 1.083699
C 0.483650 3.269702 -2.870142
C 0.818982 -1.146884 0.895322
C -3.383490 -4.353385 1.362803
C 3.690502 2.958295 0.195458
C 5.551810 -1.648209 -0.679710
C -3.755607 -4.652376 0.062443
C -3.499322 -5.197219 2.597994
H -0.643152 0.820584 -2.545839
H -3.086392 1.768870 0.919704
H -1.439317 -1.530720 2.248949
H -1.956010 0.202636 2.083121
H -0.603188 4.841765 -0.883194
H 3.034707 -2.424482 0.098306
H 1.446159 1.537398 0.857752
H 5.518837 1.086044 -0.600187


