%chk=000235704.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235704

0 1
Cl 7.462403 2.019875 -0.280121
S 3.499952 -1.420904 0.750248
O 0.962460 1.506364 -1.335397
N -4.806629 0.282379 -0.186704
N -1.158987 0.062773 -1.112241
C -5.480331 1.337071 -1.015738
C -5.468228 0.146197 1.153846
C -6.955785 0.963322 -1.234451
C -6.944480 -0.242808 0.967360
C -7.683301 0.786985 0.104009
C -3.346031 0.575876 -0.034122
C -2.625389 -0.066859 -1.242921
C -0.374147 -0.812768 -0.400623
C 1.033633 -0.569510 -0.226655
C 1.771683 -1.551957 0.466132
C -0.950307 -2.002193 0.153868
C 1.217733 -2.712094 0.992587
C 1.637977 0.655124 -0.749662
C 3.093032 0.939236 -0.599463
C -0.174734 -2.918164 0.822617
C 3.993576 0.089559 0.040610
C 2.033879 -3.728868 1.719916
C 3.577148 2.149082 -1.148075
C 5.356559 0.403768 0.152290
C 4.922507 2.488579 -1.053167
C 5.792821 1.603824 -0.400617
H -4.960125 1.384622 -1.996544
H -5.410391 2.349024 -0.561273
H -5.395366 1.071754 1.764263
H -4.942151 -0.658403 1.712293
H -7.449656 1.740075 -1.845594
H -7.013897 0.021250 -1.816066
H -7.002818 -1.240396 0.486998
H -7.429995 -0.341392 1.954954
H -7.747004 1.755518 0.634824
H -8.725894 0.461929 -0.068597
H -3.109131 1.658500 0.028532
H -2.957791 0.123979 0.905078
H -2.930417 -1.135838 -1.339195
H -2.933157 0.426691 -2.192036
H -0.742375 0.947464 -1.467499
H -2.018756 -2.180790 0.031083
H -0.629081 -3.822254 1.233838
H 1.429408 -4.578254 2.065541
H 2.825746 -4.150303 1.081050
H 2.514881 -3.304043 2.614725
H 2.866633 2.816432 -1.652108
H 6.055801 -0.266895 0.654675
H 5.295723 3.420938 -1.476069


%chk=000235704-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235704

0 1
Cl 7.634754 2.083177 -0.399101
S 3.621127 -1.487583 0.768906
O 0.961286 1.557600 -1.344101
N -4.860877 0.266686 -0.123997
N -1.147608 0.156759 -0.998448
C -5.498748 1.271130 -1.016273
C -5.581416 0.173378 1.174298
C -6.971842 0.910683 -1.298272
C -7.055763 -0.226566 0.962542
C -7.764505 0.774150 0.021272
C -3.408573 0.495108 0.051848
C -2.595307 0.054889 -1.197571
C -0.376052 -0.774788 -0.341695
C 1.068522 -0.562062 -0.190218
C 1.816040 -1.584393 0.491465
C -0.957197 -1.966165 0.191582
C 1.231352 -2.764260 1.011412
C 1.676669 0.661250 -0.732582
C 3.137533 0.943384 -0.615087
C -0.168117 -2.920736 0.839406
C 4.077630 0.087832 0.013034
C 2.045027 -3.827923 1.724671
C 3.616330 2.162081 -1.177358
C 5.452651 0.428992 0.082814
C 4.970694 2.523104 -1.121984
C 5.871841 1.639190 -0.485706
H -4.938978 1.315118 -1.967882
H -5.451539 2.294839 -0.556094
H -5.543885 1.149303 1.728322
H -5.069620 -0.580660 1.801399
H -7.421944 1.687294 -1.946293
H -7.003689 -0.048337 -1.850481
H -7.087761 -1.239557 0.516692
H -7.568418 -0.272977 1.942672
H -7.826822 1.765071 0.517488
H -8.802461 0.448756 -0.180964
H -3.166305 1.562941 0.283792
H -3.067013 -0.103852 0.916623
H -2.893629 -0.975996 -1.465927
H -2.850867 0.696281 -2.059448
H -0.606917 0.980818 -1.336852
H -2.031232 -2.138077 0.088814
H -0.643132 -3.827047 1.233761
H 1.395682 -4.657436 2.051069
H 2.831721 -4.254089 1.071834
H 2.554810 -3.427174 2.622561
H 2.876928 2.809220 -1.657954
H 6.171330 -0.236830 0.569432
H 5.325491 3.460972 -1.557024


