%chk=000218101.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218101

0 1
Cl -0.621640 -4.620750 1.507074
S -3.945859 -0.654558 -1.953459
O 5.970998 0.656558 -1.426913
O 7.828673 -0.700017 0.781729
N 2.320140 1.167957 0.491114
N -2.512172 0.077649 0.696194
C 5.040267 0.494671 -0.324674
C 2.641096 -0.210357 -0.008301
C 3.492735 1.764207 1.214469
C 1.110653 1.151025 1.378047
C 3.817921 -0.147858 -0.990020
C 4.691395 1.869032 0.260999
C -0.163558 0.969381 0.514944
C -1.359057 0.652506 1.448653
C -0.437125 2.208472 -0.334482
C -2.404954 -1.264856 0.252067
C -3.540402 0.960385 0.247155
C 7.348098 0.838189 -1.057792
C -3.096319 -1.743356 -0.883330
C -4.316118 0.686893 -0.895300
C -1.624985 -2.183320 0.993195
C -3.844143 2.117109 0.999923
C 7.978079 -0.491397 -0.630253
C -3.063006 -3.088127 -1.246201
C -5.377196 1.512959 -1.266501
C -1.588777 -3.515553 0.591473
C -4.892383 2.950976 0.614029
C -2.295918 -3.997544 -0.509295
C -5.665190 2.654328 -0.513807
H 5.496289 -0.173644 0.444094
H 1.739334 -0.595515 -0.539539
H 2.862937 -0.927651 0.811003
H 3.777771 1.192585 2.123841
H 3.202942 2.785133 1.548403
H 1.163082 0.362136 2.158923
H 1.051789 2.123986 1.913047
H 3.539652 0.450274 -1.885001
H 4.065279 -1.155542 -1.369258
H 5.557473 2.310696 0.783501
H 4.450183 2.561168 -0.574160
H -0.005959 0.097900 -0.174161
H -1.059370 -0.070896 2.243254
H -1.686277 1.572593 1.985584
H -0.656819 3.093055 0.270168
H 0.444095 2.448265 -0.949658
H -1.281190 2.050825 -1.016490
H 7.445954 1.606552 -0.272017
H 7.785453 1.215785 -2.002344
H -1.072250 -1.861041 1.875572
H -3.260330 2.359334 1.888355
H 7.532811 -1.342444 -1.177308
H 9.076229 -0.494020 -0.764089
H -3.626317 -3.440755 -2.114344
H -5.979754 1.274912 -2.145734
H -5.113648 3.841418 1.203210
H -2.253566 -5.047827 -0.789283
H -6.485793 3.306526 -0.803288
H 6.868245 -0.768111 1.006382


%chk=000218101-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218101

0 1
Cl -0.858302 -4.480357 1.375118
S -4.379376 -0.332005 -2.079244
O 6.436231 0.092593 -0.619227
O 8.820642 -1.395198 -0.631963
N 2.407401 1.060627 0.400606
N -2.597883 0.366784 0.308693
C 5.256832 0.355313 0.225818
C 2.846505 -0.352245 0.528345
C 3.447958 1.990362 0.905110
C 1.080982 1.311120 1.011739
C 4.154472 -0.601517 -0.249596
C 4.770401 1.816124 0.127782
C -0.099718 0.772724 0.161109
C -1.407374 0.935791 0.982959
C -0.190083 1.491468 -1.199727
C -2.628147 -1.025022 0.011144
C -3.813214 1.123009 0.264174
C 7.678112 0.738088 -0.158550
C -3.466749 -1.524837 -1.025711
C -4.772139 0.884577 -0.758809
C -1.845928 -1.955395 0.749839
C -4.115193 2.108886 1.242713
C 8.805874 0.040173 -0.922789
C -3.538254 -2.903460 -1.301631
C -5.981264 1.604684 -0.811379
C -1.904367 -3.321041 0.424202
C -5.308607 2.859572 1.168489
C -2.738435 -3.826993 -0.587946
C -6.247556 2.613975 0.142774
H 5.518122 0.128374 1.287402
H 2.057160 -1.014569 0.132356
H 2.994668 -0.627191 1.607707
H 3.641213 1.833082 2.000891
H 3.080904 3.026140 0.784243
H 1.022942 0.880030 2.047686
H 0.960908 2.408495 1.116483
H 3.982286 -0.433630 -1.328360
H 4.480309 -1.648995 -0.112782
H 5.525954 2.515633 0.533802
H 4.604132 2.062665 -0.937302
H 0.066037 -0.305670 -0.027124
H -1.277798 0.510646 2.003279
H -1.590513 2.017122 1.106175
H -0.416876 2.567342 -1.062532
H 0.775840 1.411176 -1.726856
H -0.983897 1.055480 -1.831128
H 7.797227 0.582210 0.935633
H 7.668295 1.827187 -0.374014
H -1.211533 -1.621880 1.573881
H -3.427791 2.280932 2.076332
H 8.679773 0.223620 -2.010749
H 9.787923 0.428341 -0.604140
H -4.204529 -3.261445 -2.092928
H -6.703528 1.385387 -1.604865
H -5.509994 3.623379 1.927388
H -2.766536 -4.894813 -0.817444
H -7.177491 3.188608 0.087526
H 7.883471 -1.705154 -0.745199


