%chk=000232259.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232259

0 1
Cl 4.465725 2.043608 -1.000603
S -2.895122 2.179922 -0.546120
N -0.523342 1.387128 0.434156
N 2.219214 0.518741 0.200031
C 0.352452 1.880551 -0.680289
C 0.310330 1.094596 1.649574
C 1.395664 0.800155 -1.023838
C 1.346304 0.004995 1.303621
C -1.607948 2.344149 0.747029
C 3.387540 -0.280425 -0.072353
C 4.519482 0.364842 -0.617111
C 3.495464 -1.648566 0.242925
C 5.712569 -0.321619 -0.846228
C 4.691737 -2.334877 0.023768
C -3.697814 0.653992 -0.199204
C 5.798749 -1.678630 -0.522190
C -5.081583 0.679910 -0.005601
C -2.989365 -0.549009 -0.186722
C -5.068971 -1.739542 0.217038
C -5.767105 -0.520075 0.196833
C -3.677096 -1.746112 0.026915
C -5.806097 -3.022941 0.422824
H 0.869021 2.833784 -0.432145
H -0.284270 2.067379 -1.574172
H -0.357402 0.718324 2.453648
H 0.833431 1.995445 2.039377
H 0.885947 -0.114313 -1.400249
H 2.055630 1.168602 -1.837922
H 1.980495 -0.197010 2.193841
H 0.820856 -0.938475 1.037349
H -1.316186 3.416488 0.736783
H -2.052637 2.121268 1.739232
H 2.641841 -2.183729 0.654359
H 6.572089 0.201022 -1.267861
H 4.758914 -3.392823 0.276525
H 6.727309 -2.219406 -0.694068
H -5.627868 1.624017 -0.012439
H -1.905082 -0.553314 -0.335224
H -6.845090 -0.507701 0.340694
H -3.130835 -2.686269 0.039542
H -5.187984 -3.786073 0.913922
H -6.705908 -2.894074 1.038964
H -6.131355 -3.440834 -0.542009


%chk=000232259-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232259

0 1
Cl 4.393151 2.129662 -1.316855
S -2.935565 2.303292 -0.489968
N -0.438527 1.351055 0.468791
N 2.228896 0.338088 0.106168
C 0.410973 1.857003 -0.634859
C 0.371618 0.909371 1.630251
C 1.417246 0.779556 -1.061305
C 1.376344 -0.175690 1.197618
C -1.547016 2.234090 0.821509
C 3.484368 -0.280966 -0.118546
C 4.560482 0.381503 -0.784034
C 3.764706 -1.598540 0.358792
C 5.809222 -0.225508 -1.000952
C 5.021088 -2.209758 0.172170
C -3.823365 0.719153 -0.170700
C 6.048956 -1.533981 -0.521430
C -5.238657 0.734725 -0.183883
C -3.135904 -0.499699 0.041557
C -5.288921 -1.696965 0.234645
C -5.957608 -0.465868 0.008867
C -3.869984 -1.687352 0.257139
C -6.068457 -2.988165 0.417464
H 0.967640 2.777224 -0.332298
H -0.248505 2.107486 -1.485771
H -0.304963 0.491670 2.399442
H 0.939635 1.756804 2.086038
H 0.860437 -0.090374 -1.479319
H 2.076983 1.179073 -1.845529
H 2.012368 -0.439659 2.060749
H 0.806775 -1.083922 0.885642
H -1.260554 3.306021 0.918685
H -2.008385 1.893440 1.762783
H 2.969664 -2.155337 0.864250
H 6.595722 0.334624 -1.515650
H 5.189218 -3.222651 0.554302
H 7.024929 -2.002774 -0.680791
H -5.772178 1.679949 -0.331480
H -2.040484 -0.500748 0.036468
H -7.054303 -0.441135 -0.004403
H -3.328820 -2.626422 0.429468
H -5.518888 -3.708583 1.048857
H -7.052047 -2.804980 0.885156
H -6.255586 -3.481609 -0.556437


