%chk=000218904.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218904

0 1
Cl 6.995599 1.476666 -0.516918
S -6.874008 0.200280 -1.593789
O -0.577148 -0.981485 0.265859
N -5.284258 -0.108736 0.547637
N 1.197272 0.521920 -0.018066
C -3.977606 0.555749 0.230900
C -6.344407 0.871135 0.941694
C -5.805644 -0.916192 -0.566729
C -2.854214 -0.481014 0.384411
C -7.044167 1.461571 -0.288267
C -1.491675 0.175988 0.203370
C 0.752822 -0.733364 0.148904
C 3.482286 -0.406004 -0.072555
C 2.944611 -1.736420 0.109103
C 2.572739 0.691618 -0.130332
C 1.584918 -1.900422 0.219484
C 4.877164 -0.141477 -0.196352
C 3.858207 -2.912341 0.175194
C 3.063947 2.028232 -0.309786
C 5.306930 1.151912 -0.366713
C 4.410716 2.255152 -0.426262
H -3.956197 1.007819 -0.785205
H -3.817337 1.387116 0.952486
H -5.916423 1.664743 1.587572
H -7.075008 0.314721 1.574761
H -5.016785 -1.358243 -1.202571
H -6.435773 -1.736054 -0.163007
H -2.917539 -0.970553 1.379801
H -2.972704 -1.308407 -0.344850
H -8.112954 1.663747 -0.105367
H -6.580538 2.403060 -0.628120
H -1.220880 0.872648 1.014409
H -1.357285 0.664266 -0.776715
H 1.111915 -2.869355 0.357683
H 5.590279 -0.965312 -0.155038
H 4.568631 -2.823521 1.011774
H 3.320671 -3.861341 0.315657
H 4.448294 -3.015887 -0.748686
H 2.337220 2.842100 -0.349478
H 4.809330 3.261687 -0.563493


%chk=000218904-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218904

0 1
Cl 7.008467 1.709648 -0.608302
S -6.727978 0.450591 -1.790000
O -0.570610 -1.176839 0.322178
N -5.378635 -0.104869 0.572279
N 1.146109 0.410508 -0.008220
C -4.011779 0.440187 0.329692
C -6.387503 0.923541 0.925846
C -5.931174 -0.868065 -0.520993
C -2.925298 -0.649012 0.444069
C -6.809858 1.703810 -0.367856
C -1.532330 -0.046581 0.249338
C 0.773433 -0.859754 0.178684
C 3.501815 -0.393871 -0.086705
C 3.046387 -1.757843 0.117058
C 2.507649 0.657722 -0.142245
C 1.677228 -1.974497 0.248550
C 4.882973 -0.053425 -0.232431
C 4.029960 -2.906543 0.184020
C 2.929313 2.008626 -0.342035
C 5.243187 1.279106 -0.424016
C 4.283943 2.326920 -0.482571
H -3.949954 0.934358 -0.668648
H -3.828189 1.216105 1.096762
H -5.985688 1.602049 1.697529
H -7.274123 0.410203 1.340738
H -5.178611 -1.450102 -1.068914
H -6.769595 -1.499203 -0.193413
H -2.995670 -1.131774 1.435031
H -3.080776 -1.437235 -0.316218
H -7.837954 2.090282 -0.286475
H -6.117523 2.532257 -0.590172
H -1.277570 0.690043 1.034411
H -1.421771 0.452892 -0.731818
H 1.264706 -2.974753 0.404307
H 5.652135 -0.829509 -0.193947
H 4.749763 -2.772197 1.013383
H 3.509176 -3.865300 0.339005
H 4.619397 -2.986090 -0.748791
H 2.159350 2.784591 -0.381445
H 4.608598 3.360025 -0.635265


