%chk=000246379.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246379

0 1
Cl 5.499985 2.334741 -2.265531
S 2.960685 -1.581526 1.852609
O -5.202732 -0.103890 -2.244819
N -2.188027 1.122113 0.034942
N 1.432555 -0.240106 -0.488508
C -3.071715 2.302364 -0.276043
C -3.129368 0.238875 0.814179
C -3.900842 2.560869 1.018614
C -3.928287 1.199669 1.744940
C -3.975515 1.850454 -1.443269
C -4.049036 -0.424115 -0.231222
C -4.821038 0.621485 -1.053456
C -0.944759 1.476517 0.787061
C 0.149732 1.902140 -0.205822
C 0.552527 0.765640 -1.157311
C 2.810848 0.057184 -0.363893
C 0.825746 -1.381768 0.115282
C 3.634374 -0.563799 0.603095
C 1.469497 -2.126252 1.121772
C 3.416004 0.973248 -1.257623
C -0.441738 -1.823989 -0.329394
C 5.006941 -0.331800 0.654859
C 0.907628 -3.297055 1.632893
C 4.784660 1.205528 -1.165369
C -1.009217 -2.981253 0.197217
C 5.603924 0.569663 -0.233476
C -0.338059 -3.728457 1.172463
H -2.477260 3.191238 -0.571475
H -2.579245 -0.538419 1.386329
H -3.426184 3.336292 1.639274
H -4.912827 2.925560 0.790647
H -4.954990 0.844169 1.915377
H -3.454540 1.265290 2.736640
H -4.618960 2.681499 -1.773296
H -3.335082 1.580239 -2.308984
H -3.440704 -1.038800 -0.929456
H -4.752738 -1.123259 0.252228
H -5.756625 0.930978 -0.539095
H -1.100511 2.278839 1.539043
H -0.599221 0.581404 1.353355
H -0.199233 2.763002 -0.809825
H 1.032355 2.263593 0.359242
H -5.677568 0.470505 -2.868343
H 1.079117 1.175750 -2.050102
H -0.366684 0.257585 -1.548925
H 2.824248 1.482071 -2.019750
H -0.988017 -1.246177 -1.082972
H 5.626452 -0.844265 1.395599
H 1.435644 -3.873654 2.395074
H -1.985579 -3.309729 -0.160969
H 6.672612 0.766675 -0.195917
H -0.782531 -4.638064 1.568411


%chk=000246379-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246379

0 1
Cl 5.547143 2.430485 -1.707645
S 2.204893 -1.458266 2.192692
O -5.636140 -0.434853 -1.292427
N -2.109749 1.291732 0.047080
N 1.232952 -0.315099 -0.477884
C -3.065475 2.316387 -0.490802
C -2.929114 0.662877 1.134226
C -3.695355 2.986848 0.786703
C -3.597980 1.872974 1.884380
C -4.122297 1.561417 -1.336702
C -3.974367 -0.257343 0.454546
C -4.908585 0.550405 -0.466242
C -0.794002 1.839024 0.475861
C 0.173396 1.953238 -0.724610
C 0.438351 0.571384 -1.364639
C 2.567282 0.056495 -0.149302
C 0.791461 -1.656830 -0.235610
C 3.198791 -0.457868 1.019803
C 1.200041 -2.350358 0.937503
C 3.314999 0.936202 -0.980945
C -0.044217 -2.346327 -1.155786
C 4.533458 -0.135264 1.329329
C 0.796139 -3.676582 1.185537
C 4.631175 1.275347 -0.624795
C -0.484120 -3.660744 -0.889123
C 5.270755 0.756140 0.514142
C -0.067217 -4.334930 0.279820
H -2.530171 3.045140 -1.124437
H -2.279431 0.062346 1.793642
H -3.118810 3.882615 1.078762
H -4.734961 3.314333 0.605803
H -4.584455 1.604940 2.303646
H -2.961022 2.203336 2.724294
H -4.819472 2.281593 -1.812334
H -3.601027 1.003198 -2.136484
H -3.441122 -1.007816 -0.156645
H -4.573975 -0.797073 1.210899
H -5.643108 1.108599 0.155195
H -0.875589 2.833163 0.976137
H -0.357694 1.138626 1.213011
H -0.265864 2.610001 -1.501786
H 1.114752 2.431283 -0.395405
H -6.270823 0.049298 -1.880418
H 0.910489 0.675488 -2.363404
H -0.553031 0.111202 -1.501655
H 2.879930 1.343460 -1.895721
H -0.346587 -1.861577 -2.088120
H 4.997331 -0.561534 2.224561
H 1.143855 -4.183964 2.091711
H -1.142048 -4.161044 -1.607804
H 6.297416 1.034243 0.763986
H -0.400102 -5.357541 0.483755


