%chk=000229187.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229187

0 1
Cl 3.599282 0.256358 2.499576
S -1.944786 1.968687 -0.570120
O -2.708951 3.006710 0.097609
O -1.723065 2.049433 -1.990577
N -0.392909 2.148514 0.236187
N 0.521834 1.213552 -0.099702
N -3.924175 -3.355353 0.981667
C -2.501080 0.429840 -0.115628
C -3.498887 0.305469 0.866487
C -1.972869 -0.725995 -0.715868
C -3.433533 -2.104373 0.638004
C -3.969923 -0.939902 1.250430
C -2.423572 -1.986168 -0.352400
C 2.685872 0.207669 -0.052796
C 1.747894 1.270868 0.349969
C 3.603182 -0.319681 0.871647
C 2.708486 -0.292311 -1.366296
C 4.523280 -1.308241 0.519301
C 3.624275 -1.282141 -1.731148
C 4.530719 -1.788858 -0.793497
H -3.912613 1.209343 1.334131
H -1.191183 -0.631662 -1.480570
H -4.745113 -1.023346 2.006032
H -2.008926 -2.871766 -0.824487
H -0.159477 2.971841 0.809165
H 2.163029 2.044623 1.010011
H 2.001941 0.102292 -2.099879
H 5.223537 -1.698033 1.257715
H 3.632900 -1.659039 -2.753396
H -4.547227 -3.465894 1.761807
H -3.475120 -4.191009 0.651084
H 5.244578 -2.558325 -1.083958


%chk=000229187-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229187

0 1
Cl 4.883158 1.693241 1.667517
S -1.819145 1.879330 -0.449886
O -2.608269 3.122091 0.246405
O -1.369156 1.897401 -2.011933
N -0.264030 1.775359 0.711571
N 0.718768 0.972996 0.234757
N -4.681813 -3.324319 0.644998
C -2.681893 0.277952 -0.101972
C -3.496241 0.186286 1.042351
C -2.511597 -0.784780 -1.008129
C -4.018377 -2.130454 0.396942
C -4.167079 -1.022161 1.288706
C -3.185226 -1.991073 -0.756196
C 3.013411 0.212909 0.140040
C 1.974680 1.133724 0.613656
C 4.373843 0.345591 0.528784
C 2.701121 -0.861035 -0.748102
C 5.383325 -0.522363 0.074130
C 3.694329 -1.738910 -1.214673
C 5.040984 -1.573751 -0.804947
H -3.613331 1.046005 1.709596
H -1.881689 -0.655867 -1.893798
H -4.811267 -1.116057 2.170244
H -3.071439 -2.832235 -1.449353
H -0.059321 2.754949 1.012308
H 2.280507 1.937844 1.304588
H 1.655569 -0.969659 -1.052639
H 6.416605 -0.377280 0.401624
H 3.426048 -2.551819 -1.897603
H -5.279694 -3.430904 1.459733
H -4.586030 -4.116220 0.015458
H 5.820647 -2.253690 -1.163676


