%chk=000213952.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213952

0 1
Cl 4.922572 2.769889 -1.285313
S -1.848980 -0.197955 -1.077796
O -1.847105 0.720890 2.572584
N -0.427686 1.606111 1.029968
N 1.065643 -0.913295 1.986400
C 0.878145 1.827640 0.481386
C 1.857169 0.813741 0.387897
C -1.593569 2.178688 0.287159
C 1.644683 -0.577490 0.878994
C -0.705294 0.798524 2.159929
C 0.467181 0.110523 2.848299
C -1.704845 1.614524 -1.122746
C 1.176322 3.131768 0.014475
C 3.113756 1.120175 -0.165514
C 2.192444 -1.671576 0.026224
C 2.419151 3.426244 -0.530288
C 3.379576 2.409534 -0.613323
C 1.820055 -1.747920 -1.324527
C 3.062871 -2.624932 0.574207
C -3.562216 -0.451401 -0.733586
C 2.329714 -2.772695 -2.125317
C 3.572401 -3.643792 -0.235849
C 3.208396 -3.717627 -1.583990
C -4.438417 -0.656306 -1.802014
C -3.998286 -0.509505 0.590264
C -5.784824 -0.923776 -1.534200
C -5.348000 -0.775883 0.848288
C -6.237936 -0.982153 -0.210807
H -2.524937 1.961635 0.874570
H -1.496826 3.288513 0.257005
H 1.203874 0.856099 3.225110
H 0.072535 -0.428243 3.751328
H -2.565107 2.061830 -1.655341
H -0.804527 1.836560 -1.731116
H 0.425632 3.919938 0.095138
H 3.877650 0.339694 -0.245875
H 2.648634 4.432790 -0.884647
H 1.126833 -1.017742 -1.743028
H 3.327146 -2.577051 1.630879
H 2.037641 -2.837444 -3.172414
H 4.248616 -4.384787 0.187573
H 3.604536 -4.514036 -2.211955
H -4.082196 -0.615915 -2.831297
H -3.300712 -0.352232 1.423279
H -6.479672 -1.089114 -2.355225
H -5.700973 -0.824767 1.877498
H -7.286870 -1.191474 -0.005785


%chk=000213952-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213952

0 1
Cl 4.981475 3.074248 -1.342129
S -1.932789 -0.380319 -1.281643
O -1.746839 0.582464 2.672944
N -0.415354 1.518648 0.989130
N 1.227410 -0.845237 1.989183
C 0.881204 1.846500 0.467060
C 1.926013 0.873020 0.342155
C -1.627058 2.023505 0.289556
C 1.779909 -0.536949 0.831419
C -0.601608 0.792079 2.183637
C 0.684740 0.252395 2.822267
C -1.747772 1.507447 -1.153184
C 1.112418 3.172261 0.006746
C 3.173166 1.271909 -0.216142
C 2.326197 -1.660701 0.008661
C 2.346676 3.555841 -0.546907
C 3.369880 2.591139 -0.644402
C 2.441091 -1.562499 -1.404561
C 2.692504 -2.877947 0.644911
C -3.714068 -0.553960 -0.797659
C 2.918474 -2.654042 -2.162144
C 3.174464 -3.963922 -0.111883
C 3.291461 -3.856298 -1.519282
C -4.695864 -0.637289 -1.814362
C -4.082438 -0.643179 0.566036
C -6.056293 -0.802834 -1.464540
C -5.446811 -0.803374 0.907110
C -6.433271 -0.883124 -0.103185
H -2.488371 1.694587 0.893614
H -1.636232 3.131541 0.285300
H 1.409305 1.086434 2.950649
H 0.414302 -0.152988 3.807580
H -2.627027 1.962341 -1.639895
H -0.850599 1.743270 -1.751515
H 0.322271 3.922732 0.101234
H 3.977863 0.537018 -0.304791
H 2.513031 4.583045 -0.882946
H 2.134020 -0.644099 -1.916217
H 2.579483 -2.948511 1.730990
H 2.991118 -2.568975 -3.251932
H 3.458740 -4.894849 0.391064
H 3.665150 -4.701966 -2.107431
H -4.392723 -0.580479 -2.865180
H -3.318773 -0.588380 1.349001
H -6.815301 -0.871637 -2.251946
H -5.731615 -0.869963 1.962911
H -7.487360 -1.012707 0.167220


