%chk=000182917.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182917

0 1
Cl -6.539104 1.779009 0.758639
S 2.346047 0.580645 1.532722
O 2.288828 -0.126521 2.781814
O 3.159060 1.769108 1.425006
O 2.393198 2.061949 -0.906303
O 4.423873 1.754067 -1.877169
O -0.276606 -0.869768 1.190238
O -4.233929 -2.347668 -1.013682
N 0.734526 1.183034 1.191828
N -1.634764 1.048839 1.078890
N -2.880307 -0.713897 -0.001539
N -3.964221 1.293082 0.893353
C 2.659082 -0.536711 0.248665
C 3.171832 -0.139520 -0.993557
C 2.390142 -1.888929 0.478665
C 3.442733 -1.083283 -1.987018
C 2.652537 -2.841048 -0.517009
C 3.181742 -2.439934 -1.743104
C 3.462849 1.297165 -1.312491
C -0.388115 0.333359 1.147489
C -2.852625 0.496487 0.647960
C -4.116855 -1.157489 -0.391165
C -5.308177 -0.423343 -0.181965
C -5.157485 0.802832 0.464910
C 2.574209 3.508631 -0.941527
C -3.010636 -3.129365 -1.213827
H 1.960200 -2.210445 1.439687
H 0.640094 2.174883 0.928414
H 3.862371 -0.767084 -2.945350
H 2.439154 -3.893774 -0.326073
H 3.394577 -3.178216 -2.518927
H -1.695124 2.003807 1.464105
H -6.270131 -0.807480 -0.508853
H 1.563375 3.888791 -1.105020
H 2.984684 3.789002 0.039613
H 3.254586 3.799466 -1.750185
H -2.334027 -2.585936 -1.880521
H -3.412993 -4.038608 -1.673050
H -2.529700 -3.324937 -0.248364


%chk=000182917-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182917

0 1
Cl -6.595099 2.075468 0.892120
S 2.276231 0.492203 1.680311
O 2.171960 -0.455196 2.982051
O 3.161583 1.846882 1.737542
O 2.330482 2.068336 -0.966872
O 4.356608 1.778411 -2.089414
O -0.370921 -1.043569 1.124555
O -4.507846 -2.237444 -1.050320
N 0.578874 1.099128 1.290626
N -1.718612 0.926522 1.116385
N -3.072002 -0.693611 -0.001066
N -3.994004 1.341832 0.962705
C 2.772414 -0.630455 0.204003
C 3.303586 -0.124918 -1.003490
C 2.671086 -1.998413 0.494591
C 3.786877 -1.079108 -1.938988
C 3.130358 -2.924326 -0.468964
C 3.696648 -2.461697 -1.678389
C 3.423285 1.317293 -1.396417
C -0.499081 0.202015 1.159016
C -2.967426 0.478835 0.672044
C -4.324467 -1.050432 -0.387904
C -5.473852 -0.246623 -0.141930
C -5.212259 0.951875 0.539113
C 2.447430 3.541458 -1.130429
C -3.297982 -3.070412 -1.281352
H 2.253575 -2.318980 1.453456
H 0.591460 2.033378 0.868629
H 4.232095 -0.705831 -2.866649
H 3.054562 -3.996873 -0.265122
H 4.070512 -3.177297 -2.417671
H -1.750648 1.850149 1.557115
H -6.467236 -0.552394 -0.466655
H 1.416272 3.915058 -1.212608
H 2.949050 3.939895 -0.232986
H 3.029544 3.779544 -2.034446
H -2.618526 -2.561959 -1.985079
H -3.693928 -4.001980 -1.709214
H -2.765706 -3.246561 -0.332998


