%chk=000219111.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219111

0 1
Cl -4.613597 3.345643 1.254707
S -2.037727 -2.052615 -0.413407
O 0.073248 -0.026966 -1.013900
O -2.088788 -2.236647 -1.836016
O -2.519406 -3.096465 0.471554
N 2.845558 -0.368315 -0.676236
N 1.858959 -1.043215 0.139927
N -0.357388 -1.977524 0.074091
C 4.834892 2.118896 0.440174
C 5.681478 0.879856 0.755633
C 3.921043 1.946525 -0.780000
C 4.844101 -0.387263 0.966716
C 2.667242 1.118398 -0.479591
C 4.210335 -0.887970 -0.339415
C 0.523106 -0.960801 -0.370885
C -2.727793 -0.548295 0.045636
C -2.573318 0.580620 -0.768061
C -3.470394 -0.469892 1.232783
C -3.158736 1.796813 -0.398694
C -4.059342 0.735360 1.615238
C -3.890248 1.851680 0.787956
H 4.226738 2.389415 1.326039
H 5.510378 2.980886 0.268832
H 6.416496 0.712549 -0.056152
H 6.282922 1.075408 1.665926
H 4.483396 1.511710 -1.629112
H 3.595381 2.947437 -1.131557
H 5.486312 -1.181945 1.392713
H 4.058288 -0.197875 1.724664
H 2.286157 1.365166 0.536198
H 1.850090 1.393505 -1.196078
H 4.842587 -0.602077 -1.215121
H 4.184814 -1.999649 -0.352006
H 2.169596 -1.990675 0.406502
H -0.007986 -2.723057 0.689625
H -1.980909 0.521257 -1.694642
H -3.596282 -1.360594 1.862493
H -3.039441 2.681000 -1.025668
H -4.639163 0.806915 2.535232


%chk=000219111-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219111

0 1
Cl -6.090248 2.712819 -0.670488
S -1.870457 -2.037373 0.422359
O 0.111267 -0.047109 -0.966201
O -1.603424 -2.860645 -0.941162
O -2.350303 -2.787800 1.785039
N 2.774289 0.416652 -0.026094
N 1.844163 -0.435255 0.593221
N -0.314703 -1.234698 1.005019
C 5.825897 1.539284 0.679692
C 6.147900 0.351337 -0.258148
C 4.477110 2.258456 0.418794
C 5.069567 -0.756944 -0.311970
C 3.233415 1.481683 0.901855
C 3.729995 -0.272743 -0.934125
C 0.531436 -0.530511 0.118261
C -3.053922 -0.606846 0.093570
C -2.946861 0.112297 -1.107539
C -4.033193 -0.374483 1.072669
C -3.890189 1.138696 -1.338090
C -4.971912 0.653858 0.833825
C -4.880949 1.389805 -0.365724
H 5.835656 1.188676 1.733183
H 6.646424 2.279147 0.592777
H 6.298732 0.734945 -1.288983
H 7.114986 -0.090649 0.054440
H 4.368299 2.519283 -0.651831
H 4.484648 3.218632 0.970181
H 5.454172 -1.591869 -0.930932
H 4.892513 -1.177274 0.700461
H 3.469731 1.051708 1.909002
H 2.386263 2.179493 1.045597
H 3.953589 0.408589 -1.777979
H 3.167777 -1.120866 -1.360635
H 2.123178 -0.968048 1.431409
H -0.026263 -1.615926 1.914451
H -2.143267 -0.098014 -1.817934
H -4.069719 -0.986301 1.979514
H -3.846641 1.732897 -2.254448
H -5.756356 0.872297 1.563061


