%chk=000240016.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240016

0 1
Cl -6.767296 3.722569 -1.397423
Cl -7.982775 -2.703452 1.341758
S 6.859768 -0.943739 -0.708092
O 9.147831 1.009259 1.154827
O 7.015191 1.043848 1.833386
N -5.482919 0.151551 -0.023271
N 0.945766 -0.247478 -0.622869
C -6.067445 1.170135 -0.922690
C -6.427366 -0.562152 0.864162
C -4.101371 -0.085913 0.024424
C -3.567788 -1.058977 0.909179
C -3.216173 0.635286 -0.816069
C -6.033308 2.553856 -0.261995
C -6.859526 -1.884317 0.217991
C -1.319083 -0.578598 0.109037
C -2.199237 -1.292298 0.943217
C -1.850591 0.385052 -0.769203
C 0.124347 -0.855234 0.176368
C 2.354828 -0.457495 -0.580954
C 2.989446 -0.917254 -1.753688
C 3.115650 -0.110210 0.553363
C 5.124363 -0.686063 -0.651208
C 4.378607 -1.025645 -1.785657
C 4.505429 -0.226065 0.513773
C 7.548153 0.723480 -0.538135
C 7.793841 0.933322 0.915655
H -7.114940 0.889515 -1.181229
H -5.511971 1.191731 -1.892417
H -5.957823 -0.753842 1.859889
H -7.317237 0.077287 1.068791
H -4.218903 -1.626440 1.569353
H -3.592048 1.384455 -1.508899
H -4.999666 2.886184 -0.042798
H -6.607211 2.584705 0.682279
H -6.001054 -2.558932 0.032901
H -7.384265 -1.731371 -0.743012
H -1.806405 -2.044152 1.630622
H -1.172089 0.944225 -1.423079
H 0.418826 -1.605179 0.932906
H 2.391510 -1.171608 -2.627822
H 2.624675 0.261699 1.450292
H 4.874253 -1.374930 -2.693677
H 5.102301 0.050142 1.393113
H 6.872880 1.502486 -0.948711
H 8.488369 0.771389 -1.133603
H 9.363558 1.121370 2.119618


%chk=000240016-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240016

0 1
Cl -7.213677 3.147015 -2.220725
Cl -7.718711 -2.528819 2.412915
S 7.014719 -0.489395 -1.159353
O 9.247635 -0.172948 1.528708
O 7.088166 0.029050 2.359264
N -5.544873 0.095642 0.044488
N 0.930137 -0.070539 -1.003867
C -6.264637 0.789327 -1.039378
C -6.357048 -0.423460 1.159995
C -4.143898 -0.059616 0.021642
C -3.460664 -0.783401 1.049242
C -3.351612 0.502976 -1.033393
C -6.276397 2.312590 -0.808281
C -6.705104 -1.908821 0.943834
C -1.281147 -0.373812 -0.030213
C -2.064233 -0.928572 1.017810
C -1.960624 0.344256 -1.055202
C 0.173329 -0.544131 -0.039197
C 2.342868 -0.171037 -0.957086
C 3.033834 -0.303594 -2.194001
C 3.108041 -0.081840 0.243791
C 5.181805 -0.318144 -1.024684
C 4.438689 -0.380790 -2.230311
C 4.515048 -0.166644 0.214110
C 7.622275 0.828285 0.078950
C 7.906952 0.210853 1.428793
H -7.305731 0.422682 -1.073555
H -5.817694 0.558844 -2.021982
H -5.831574 -0.295190 2.122465
H -7.291905 0.160154 1.230072
H -4.013743 -1.240963 1.874510
H -3.822643 1.071833 -1.840297
H -5.267400 2.748786 -0.814452
H -6.810115 2.589862 0.112985
H -5.812292 -2.548625 0.899341
H -7.334902 -2.064829 0.055413
H -1.569398 -1.489905 1.820656
H -1.361875 0.775848 -1.863955
H 0.595847 -1.123480 0.810414
H 2.445912 -0.337028 -3.116513
H 2.602814 0.075762 1.203770
H 4.958859 -0.468651 -3.190091
H 5.083337 -0.113811 1.149565
H 6.835623 1.591600 0.161841
H 8.537274 1.249415 -0.360733
H 9.399838 -0.624535 2.403099


