%chk=000199289.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199289

0 1
Cl 4.509747 -0.673924 -1.926542
S 0.252134 2.576607 1.267603
N -1.096874 -4.111251 0.466257
C -0.539131 -1.301138 0.674306
C 0.518347 -2.243197 1.176199
C -1.946052 -1.761588 0.946251
C 0.324092 -3.689331 0.673964
C -2.021217 -3.266822 1.274771
C -0.263844 -0.109103 0.098404
C 1.109279 0.390844 -0.128154
C -1.297240 0.896136 -0.237543
C -1.468371 -4.102672 -0.980318
C 1.473340 1.635206 0.419903
C -1.171935 2.187288 0.305423
C 2.054248 -0.318269 -0.883884
C -2.383896 0.627661 -1.081669
C 2.761694 2.149917 0.286110
C -2.128249 3.174596 0.079389
C 3.340313 0.209962 -1.011995
C -3.346298 1.613645 -1.320070
C 3.718871 1.421834 -0.429577
C -3.230444 2.876830 -0.730046
H 1.544884 -1.906731 0.934207
H 0.477369 -2.227846 2.289260
H -2.369191 -1.168564 1.784393
H -2.602552 -1.546396 0.078450
H 0.915348 -3.845890 -0.251937
H 0.739471 -4.394512 1.431004
H -1.774745 -3.440976 2.345803
H -3.058239 -3.636484 1.130704
H -1.344573 -3.132832 -1.483721
H -2.517523 -4.419377 -1.088049
H -0.852043 -4.850063 -1.506094
H 1.785360 -1.259350 -1.363566
H -2.474981 -0.350482 -1.552488
H 3.027616 3.113537 0.724522
H -2.020260 4.168518 0.514637
H -4.191016 1.396358 -1.972667
H 4.734093 1.800290 -0.542088
H -3.989634 3.635467 -0.911852


%chk=000199289-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199289

0 1
Cl 4.601874 -0.968824 -1.789806
S 0.262144 2.771663 1.180651
N -1.076190 -3.974209 0.244909
C -0.538184 -1.302968 0.854330
C 0.517857 -2.287389 1.323781
C -1.930024 -1.787445 1.258812
C 0.339253 -3.674119 0.595474
C -2.000618 -3.364350 1.222972
C -0.274322 -0.109706 0.217843
C 1.115719 0.375541 -0.050424
C -1.334214 0.874005 -0.177683
C -1.435567 -3.719170 -1.164797
C 1.492990 1.687554 0.353173
C -1.214754 2.233701 0.221027
C 2.079257 -0.415008 -0.733275
C -2.444552 0.525109 -0.994246
C 2.803299 2.171975 0.147334
C -2.198888 3.192556 -0.105047
C 3.380231 0.079818 -0.925562
C -3.434271 1.473136 -1.328225
C 3.770020 1.359507 -0.485419
C -3.323268 2.806234 -0.866863
H 1.547568 -1.919016 1.197205
H 0.362794 -2.448775 2.410606
H -2.123704 -1.455177 2.301181
H -2.722112 -1.340454 0.640915
H 0.938430 -3.691263 -0.333786
H 0.734799 -4.470521 1.257061
H -1.745210 -3.770287 2.220298
H -3.032941 -3.688238 0.998120
H -1.344410 -2.651172 -1.484247
H -2.480181 -4.039467 -1.333733
H -0.789598 -4.324041 -1.825900
H 1.799614 -1.400144 -1.117174
H -2.515804 -0.497095 -1.383149
H 3.069959 3.185048 0.464795
H -2.075545 4.232589 0.214748
H -4.282931 1.177169 -1.954336
H 4.787656 1.723857 -0.649955
H -4.088277 3.547274 -1.122310


