%chk=000104397.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000104397

0 1
Cl 3.895583 -3.336034 -0.357402
S 2.345205 2.608259 0.534596
S -3.626821 1.339287 0.259669
O -3.018036 1.748149 -0.987153
O -4.900389 1.865204 0.648923
O -2.504028 1.804421 1.424283
N 0.816371 0.840126 -0.650847
C -0.404564 0.135803 -1.107390
C -1.081520 -0.633520 0.041503
C -2.506276 -1.073833 -0.325419
C 1.988839 0.150119 -0.273693
C 0.792140 2.210423 -0.267034
C -3.590680 -0.389189 0.508406
C 2.951160 0.975223 0.373330
C 2.272941 -1.202667 -0.508128
C -0.165652 3.110579 -0.470304
C 4.176966 0.483609 0.783984
C 3.519037 -1.670357 -0.081724
C 4.469901 -0.870298 0.554382
H -0.130823 -0.552060 -1.938047
H -1.111985 0.893580 -1.543386
H -0.470856 -1.517149 0.313801
H -1.081023 -0.008901 0.962573
H -2.702707 -0.907607 -1.407075
H -2.595592 -2.172380 -0.184718
H -3.434510 -0.627520 1.587561
H -4.579366 -0.850501 0.290236
H 1.567677 -1.859814 -1.008607
H -0.078987 4.147925 -0.188955
H -1.091812 2.897658 -1.001309
H -1.877855 2.512494 1.171502
H 4.907186 1.126221 1.277383
H 5.425975 -1.286251 0.867062


%chk=000104397-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104397

0 1
Cl 4.011517 -3.386008 -0.517078
S 2.287527 2.665973 0.668010
S -3.669070 1.463972 0.240288
O -3.234218 1.754833 -1.308346
O -5.059071 2.057922 0.799066
O -2.307001 1.955779 1.356950
N 0.800658 0.829531 -0.566441
C -0.386748 0.098540 -1.066188
C -1.071308 -0.733204 0.057373
C -2.537070 -1.126396 -0.298143
C 2.002769 0.163615 -0.247141
C 0.731739 2.181869 -0.187312
C -3.610913 -0.454853 0.559886
C 2.944760 0.985147 0.430457
C 2.321514 -1.180466 -0.542658
C -0.312863 3.065075 -0.367133
C 4.196641 0.493453 0.826193
C 3.586049 -1.653121 -0.140953
C 4.528354 -0.854048 0.535170
H -0.075008 -0.550001 -1.906049
H -1.103952 0.827574 -1.475231
H -0.475958 -1.640576 0.263391
H -1.065378 -0.130192 0.983339
H -2.751117 -0.929088 -1.365976
H -2.681441 -2.215436 -0.153212
H -3.430029 -0.505698 1.644960
H -4.638433 -0.765734 0.308307
H 1.626281 -1.836609 -1.070834
H -0.176155 4.107899 -0.069229
H -1.113531 2.861949 -1.088206
H -1.575030 2.474409 0.814700
H 4.915187 1.130184 1.350222
H 5.496799 -1.265295 0.829818


