%chk=000179322.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179322

0 1
Cl -5.902460 -1.897982 0.015496
S -2.912273 -1.791292 -0.160088
F 5.630222 -0.254643 2.595973
F 5.553535 -1.694428 1.042458
F 4.256051 -1.858487 2.701714
F 4.612190 2.061069 -2.504777
F 4.701936 3.535378 -0.984583
F 2.970781 3.353486 -2.185486
F -6.654061 0.801323 0.418690
F -5.321552 2.111878 1.409469
F -5.544699 2.213989 -0.698783
O -0.695233 -2.346451 -0.716354
O -0.491889 0.841953 1.917753
O -0.397826 -3.147282 -2.803445
N -0.745732 -0.105638 -0.169484
N -3.010333 0.822062 0.085264
C 1.500731 0.558740 0.613552
C 0.034947 0.459344 0.908073
C 3.768915 -0.111242 1.104864
C 3.337972 1.626602 -0.534960
C 1.960556 1.500359 -0.315582
C 2.394034 -0.240825 1.337482
C 4.244660 0.823566 0.173082
C -2.153273 -0.158325 -0.062838
C -0.189859 -1.037212 -1.161091
C 4.767837 -0.959680 1.847554
C 3.881400 2.622116 -1.526874
C -4.333750 0.334835 0.144169
C -4.477984 -1.024357 0.022396
C -5.429389 1.346195 0.316468
C -0.739850 -3.373709 -1.672962
C -1.214157 -4.617542 -1.025188
H 1.237150 2.126662 -0.851874
H 2.005534 -0.950831 2.076764
H 5.323570 0.927644 -0.000158
H -0.571299 -0.833931 -2.187937
H 0.915576 -1.087394 -1.134532
H -0.556735 -5.467796 -1.278143
H -2.227532 -4.883993 -1.375746
H -1.258412 -4.543162 0.075263


%chk=000179322-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179322

0 1
Cl -6.510022 -1.022310 -0.046648
S -3.539926 -1.657143 -0.546953
F 5.766286 0.153347 2.291047
F 5.438304 -1.793333 1.182887
F 4.283046 -1.373103 3.087518
F 4.733311 2.616423 -1.902765
F 2.903134 3.787360 -1.251881
F 2.728036 2.258787 -2.911718
F -6.343244 1.755523 1.066950
F -4.402571 2.488042 1.980736
F -4.909327 3.010005 -0.164695
O -0.853346 -2.531280 -1.732209
O -0.553187 -0.459587 1.870654
O 0.971654 -2.968446 -0.349220
N -0.950456 -0.451171 -0.451247
N -2.885677 0.837656 0.169711
C 1.330267 0.055143 0.450210
C -0.099324 -0.319978 0.712894
C 3.674725 -0.123929 1.095801
C 3.018231 1.433517 -0.652567
C 1.668494 1.037213 -0.505476
C 2.335999 -0.522079 1.261454
C 4.028816 0.855012 0.138158
C -2.335829 -0.273525 -0.270076
C -0.488543 -1.077487 -1.686146
C 4.765151 -0.771925 1.908407
C 3.350637 2.503358 -1.657880
C -4.269310 0.732804 0.330570
C -4.814568 -0.498316 -0.014591
C -4.977173 1.972052 0.800713
C -0.012764 -3.396639 -0.986676
C -0.497450 -4.819735 -1.077841
H 0.886403 1.511006 -1.108529
H 2.058766 -1.270336 2.008859
H 5.070885 1.165099 0.018745
H -1.010542 -0.661880 -2.558852
H 0.603336 -0.981791 -1.768561
H 0.290947 -5.503264 -0.731454
H -0.796612 -5.065796 -2.109239
H -1.387258 -4.948295 -0.434492


