%chk=000229325.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229325

0 1
Cl -3.728646 2.530252 3.576392
S -0.554653 2.132327 -1.773070
N -0.120016 0.313599 0.699623
N -1.920842 -2.771112 -0.608727
C -0.665671 -1.080786 0.611686
C -1.435415 -1.358741 -0.699075
C 1.013721 0.567372 -0.162410
C -1.133955 1.335484 0.785547
C 2.286265 -0.003499 0.221031
C 0.942380 1.360128 -1.289979
C -1.386311 2.267461 -0.238004
C -1.729375 -3.517729 -1.895354
C -3.347463 -2.823260 -0.143084
C 3.401295 0.193652 -0.636819
C 2.068868 1.584652 -2.124913
C -1.867768 1.420799 1.984966
C 3.265846 0.992135 -1.818957
C 2.476427 -0.730242 1.438324
C -2.328528 3.284110 -0.080881
C -0.244509 -3.810093 -2.115199
C -3.660359 -4.208885 0.423864
C 4.660797 -0.392971 -0.294796
C -2.819432 2.431035 2.111116
C -3.066019 3.367839 1.103842
C 3.699212 -1.272028 1.749634
C 4.803628 -1.112517 0.865387
H 0.178392 -1.801334 0.705600
H -1.320871 -1.250021 1.493761
H -2.249527 -0.617825 -0.842371
H -0.752437 -1.223268 -1.566550
H -2.282645 -4.481427 -1.818462
H -2.149279 -2.979217 -2.772179
H -3.481460 -2.064624 0.660412
H -4.071817 -2.565302 -0.945735
H 1.965642 2.221342 -3.005581
H -1.680493 0.720496 2.799587
H 4.136946 1.130949 -2.457639
H 1.635874 -0.828716 2.128647
H -2.499181 4.011266 -0.877882
H 0.332579 -2.896926 -2.301959
H 0.195218 -4.288561 -1.229569
H -0.097831 -4.479891 -2.968218
H -4.636054 -4.219371 0.919881
H -3.669894 -4.979359 -0.355437
H -2.902650 -4.510680 1.159990
H 5.502303 -0.251691 -0.971439
H -3.812501 4.148833 1.240545
H 3.844195 -1.823946 2.677016
H 5.759319 -1.562606 1.131137


%chk=000229325-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229325

0 1
Cl -4.015407 2.102130 3.236820
S -0.266738 2.443688 -1.993253
N -0.132629 0.305105 0.183927
N -2.058613 -2.880383 -0.643288
C -0.541791 -1.124375 0.254558
C -1.607635 -1.479180 -0.815624
C 1.149916 0.674835 -0.336389
C -1.107168 1.313929 0.436170
C 2.364999 0.100870 0.208998
C 1.258307 1.649618 -1.342251
C -1.234274 2.433407 -0.432509
C -2.241056 -3.616546 -1.922479
C -3.215663 -3.002201 0.284765
C 3.634678 0.418895 -0.418068
C 2.514149 2.013650 -1.908329
C -1.959965 1.234007 1.569418
C 3.678794 1.374220 -1.485307
C 2.373235 -0.747420 1.367111
C -2.158766 3.461251 -0.162934
C -0.905423 -3.980328 -2.598465
C -3.287894 -4.371643 0.986653
C 4.833504 -0.191241 0.079588
C -2.908518 2.247173 1.789525
C -3.025108 3.372507 0.952240
C 3.561397 -1.306801 1.843099
C 4.802032 -1.048261 1.180724
H 0.342745 -1.755202 0.081042
H -0.926098 -1.381408 1.261263
H -2.455269 -0.757494 -0.757352
H -1.152067 -1.351917 -1.813588
H -2.786186 -4.550982 -1.696193
H -2.882380 -3.041160 -2.637147
H -3.110855 -2.215818 1.056584
H -4.181759 -2.793648 -0.240908
H 2.545615 2.779995 -2.689579
H -1.871224 0.398626 2.268359
H 4.642696 1.619108 -1.944971
H 1.438738 -0.926254 1.905805
H -2.228061 4.321359 -0.836601
H -0.316242 -3.081299 -2.855531
H -0.295152 -4.605568 -1.923723
H -1.086390 -4.539687 -3.535372
H -4.138308 -4.398552 1.693304
H -3.426747 -5.198270 0.266674
H -2.354547 -4.561737 1.544815
H 5.784394 0.043401 -0.413592
H -3.765152 4.150818 1.154109
H 3.546210 -1.939539 2.737235
H 5.724983 -1.504577 1.554366


