%chk=000189432.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189432

0 1
Cl -6.424886 1.978186 -0.048786
S 0.466393 -4.307326 -0.260772
N 0.051211 0.217526 -0.001207
C 2.451123 0.589141 0.103700
C 1.292852 -0.334511 0.006886
C 2.868442 1.352059 -1.005957
C -1.031331 -0.616336 -0.072993
C 1.506276 -1.729670 -0.062437
C -2.364959 0.031523 -0.060273
C 0.392001 -2.558011 -0.151249
C -0.898459 -2.013972 -0.159816
C 3.131140 0.687948 1.325894
C 3.980605 2.198432 -0.868637
C 2.142226 1.264795 -2.307075
C 4.233222 1.536371 1.449257
C 4.656690 2.289761 0.349522
C -3.421454 -0.548431 0.662756
C -2.572092 1.230854 -0.763865
C -4.682225 0.052208 0.670585
C -3.829927 1.837980 -0.765240
C -4.866080 1.235255 -0.048892
C 2.215179 -4.737869 -0.219562
H 2.522338 -2.113989 -0.048730
H -1.780557 -2.647489 -0.242170
H 2.791394 0.105803 2.182315
H 4.314660 2.792534 -1.717195
H 2.091914 0.229994 -2.674756
H 1.102149 1.614148 -2.192635
H 2.602826 1.870285 -3.096928
H 4.757076 1.613880 2.399398
H 5.515610 2.952963 0.443899
H -3.258981 -1.465500 1.230448
H -1.740812 1.693354 -1.301688
H -5.505596 -0.391599 1.229519
H -3.997651 2.766619 -1.310335
H 2.699570 -4.428470 0.714188
H 2.769449 -4.315684 -1.066185
H 2.281465 -5.834263 -0.286387


%chk=000189432-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189432

0 1
Cl -6.445024 2.152622 -0.386928
S 0.487899 -4.473307 0.454396
N 0.083987 0.130287 -0.135647
C 2.510858 0.497552 -0.104339
C 1.330704 -0.421462 -0.047960
C 2.623718 1.546061 -1.072598
C -1.013826 -0.691665 -0.042916
C 1.531591 -1.820204 0.122471
C -2.346120 -0.024714 -0.136842
C 0.404509 -2.663858 0.227190
C -0.887577 -2.089352 0.152811
C 3.549284 0.311673 0.848387
C 3.779600 2.367338 -1.037405
C 1.576010 1.789074 -2.144870
C 4.686815 1.144680 0.870920
C 4.801847 2.182137 -0.080225
C -3.541240 -0.750407 -0.391346
C -2.432710 1.384712 0.027116
C -4.788786 -0.096411 -0.470396
C -3.670976 2.053865 -0.045587
C -4.835141 1.299675 -0.291765
C 2.336301 -4.794138 0.520963
H 2.551314 -2.211284 0.145922
H -1.773161 -2.721043 0.265172
H 3.442183 -0.475526 1.603973
H 3.877009 3.166202 -1.782464
H 1.301957 0.854584 -2.667431
H 0.641694 2.176954 -1.705028
H 1.945887 2.510442 -2.894170
H 5.466802 0.991074 1.624598
H 5.678114 2.840167 -0.079478
H -3.513537 -1.832686 -0.554275
H -1.508434 1.938678 0.214204
H -5.703906 -0.659884 -0.673346
H -3.730836 3.137642 0.089199
H 2.792589 -4.264574 1.371478
H 2.816409 -4.505858 -0.426789
H 2.434993 -5.880549 0.667602


