%chk=000199021.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199021

0 1
Cl 7.320570 1.377881 -1.343643
S 3.144780 -2.604246 1.034580
N -4.498578 -0.953001 -0.349418
N -0.334639 -0.554277 0.552037
C -4.711077 0.291571 -1.160934
C -5.808483 -1.619893 -0.041458
C -5.590075 1.281276 -0.378922
C -6.705175 -0.659700 0.758400
C -6.936872 0.648401 -0.007831
C -3.581660 -1.908788 -1.057742
C -2.133883 -1.392881 -1.014298
C -1.618296 -1.294726 0.432494
C 0.874109 -1.335525 0.167335
C -0.334807 0.853351 0.385985
C 1.645120 -1.671700 1.445906
C -1.537049 1.586923 0.547590
C 0.868659 1.559390 0.153512
C -1.518157 2.976643 0.494399
C 0.861505 2.953000 0.101086
C -0.323705 3.672229 0.270656
C 4.261884 -1.418363 0.371202
C 4.277252 -0.083994 0.783703
C 5.185359 -1.901418 -0.564078
C 5.226862 0.792422 0.248951
C 6.142974 -1.033911 -1.095975
C 6.145211 0.301449 -0.682097
H -3.713371 0.749086 -1.349253
H -5.165640 0.083783 -2.153177
H -5.595685 -2.522029 0.571868
H -6.341693 -1.962158 -0.954122
H -5.743195 2.196421 -0.978756
H -5.059925 1.595098 0.542699
H -6.226628 -0.438680 1.733779
H -7.667620 -1.152167 0.985617
H -7.532492 0.456381 -0.919996
H -7.531660 1.349538 0.606068
H -3.876744 -2.091197 -2.113932
H -3.635463 -2.892886 -0.541829
H -2.071220 -0.396441 -1.499730
H -1.488236 -2.060464 -1.613601
H -2.384242 -0.781855 1.069258
H -1.483296 -2.305959 0.871066
H 1.518774 -0.765352 -0.542991
H 0.584697 -2.266905 -0.369295
H 1.873126 -0.760325 2.032656
H 1.046152 -2.318788 2.119773
H -2.478691 1.064864 0.727270
H 1.805003 1.026874 0.008713
H -2.447319 3.530464 0.627756
H 1.795817 3.484956 -0.077615
H -0.320171 4.756334 0.229560
H 3.563191 0.285151 1.522791
H 5.165494 -2.945458 -0.882513
H 5.252660 1.837668 0.557248
H 6.873051 -1.390564 -1.822551


%chk=000199021-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000199021

0 1
Cl 7.378269 1.693546 -1.099486
S 3.213258 -2.680948 1.234087
N -4.564402 -0.899107 -0.456621
N -0.307659 -0.692967 0.083522
C -4.981391 0.190249 -1.379603
C -5.731488 -1.456927 0.276496
C -5.673280 1.337275 -0.614420
C -6.436723 -0.362303 1.102723
C -6.878493 0.808588 0.195998
C -3.754698 -1.942606 -1.141947
C -2.276335 -1.518386 -1.290260
C -1.570238 -1.455949 0.090029
C 0.945595 -1.452333 -0.028436
C -0.313671 0.713461 0.170366
C 1.579939 -1.717511 1.357092
C -1.544618 1.440068 0.266084
C 0.902728 1.468485 0.165860
C -1.544463 2.846483 0.357073
C 0.880827 2.875328 0.251125
C -0.338163 3.584454 0.350138
C 4.342581 -1.389272 0.561301
C 4.464059 -0.113876 1.165260
C 5.159526 -1.721068 -0.546889
C 5.380523 0.833547 0.656137
C 6.095634 -0.789167 -1.050735
C 6.185587 0.478463 -0.444302
H -4.088554 0.574948 -1.904822
H -5.682842 -0.204709 -2.162712
H -5.369656 -2.262233 0.943248
H -6.474162 -1.916726 -0.429038
H -5.995481 2.114919 -1.333335
H -4.939888 1.802671 0.073291
H -5.731771 0.010773 1.871051
H -7.306947 -0.800497 1.628275
H -7.664877 0.455229 -0.503162
H -7.325850 1.620102 0.800422
H -4.179611 -2.199384 -2.144055
H -3.804516 -2.867405 -0.532627
H -2.213439 -0.525441 -1.771784
H -1.749475 -2.228357 -1.958132
H -2.277058 -1.020515 0.820120
H -1.348426 -2.483671 0.436653
H 1.670475 -0.925626 -0.676119
H 0.735575 -2.420097 -0.518202
H 1.758978 -0.777995 1.903894
H 0.932395 -2.360239 1.978295
H -2.502687 0.910430 0.268436
H 1.872444 0.967093 0.091911
H -2.505442 3.370697 0.430519
H 1.832449 3.420483 0.240153
H -0.347548 4.677083 0.418076
H 3.863435 0.145126 2.043411
H 5.061610 -2.702736 -1.021000
H 5.474720 1.819897 1.119516
H 6.729751 -1.043839 -1.904674


