%chk=000207552.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207552

0 1
Cl 5.646189 -2.753266 1.481890
S 2.042214 1.046050 -1.912970
O -7.804534 -1.109314 -0.650122
N -1.341256 -0.359274 0.268720
N -4.124807 -1.058103 -0.127520
C -2.224563 0.452362 -0.633502
C -1.786139 -1.788273 0.281293
C -3.676876 0.373609 -0.125113
C -3.243310 -1.859573 0.783502
C 0.063989 -0.111048 0.121327
C -5.561823 -1.174091 0.273946
C 0.413404 1.329179 0.272300
C 0.980376 -1.100766 0.002573
C -6.420681 -0.934143 -0.981855
C 1.274565 1.974959 -0.622421
C 2.430686 -0.949200 -0.073018
C -0.133906 2.073385 1.333571
C 3.042509 -0.025744 -0.937813
C 1.561555 3.335621 -0.509447
C 3.257835 -1.802945 0.685942
C 0.154327 3.433758 1.460313
C 0.988845 4.069714 0.533446
C 4.430252 0.061527 -1.066238
C 4.639185 -1.704113 0.545825
C 5.248180 -0.792240 -0.322279
H -2.169554 0.088110 -1.684859
H -1.891581 1.512648 -0.635966
H -1.136384 -2.365226 0.975806
H -1.710822 -2.258118 -0.725551
H -3.752566 0.849798 0.877057
H -4.333956 0.948679 -0.812869
H -3.580748 -2.918274 0.755216
H -3.292292 -1.521472 1.841747
H -5.866781 -0.472227 1.079490
H -5.765221 -2.193038 0.666859
H 0.666338 -2.145994 -0.070411
H -6.139281 -1.607123 -1.810160
H -6.380700 0.114930 -1.328131
H -0.788146 1.579146 2.054549
H 2.231454 3.821598 -1.220365
H 2.817762 -2.523281 1.374206
H -0.271959 4.002682 2.285927
H 1.201874 5.133264 0.631270
H 4.879944 0.790978 -1.743334
H -8.002283 -2.049217 -0.476096
H 6.331989 -0.746433 -0.411532


%chk=000207552-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207552

0 1
Cl 5.557471 -3.254612 1.367881
S 2.356738 1.287618 -1.921012
O -7.906827 -1.074974 -0.411908
N -1.309459 -0.346844 0.053415
N -4.116222 -1.070351 -0.072872
C -2.267180 0.407748 -0.801275
C -1.740182 -1.741857 0.272402
C -3.687383 0.342273 -0.222258
C -3.177194 -1.781004 0.826375
C 0.073334 -0.037540 -0.058588
C -5.534159 -1.208647 0.337719
C 0.385964 1.415106 0.133098
C 1.025304 -1.039529 -0.149627
C -6.502938 -0.999211 -0.845634
C 1.374120 2.124727 -0.600753
C 2.491510 -0.938262 -0.152433
C -0.335176 2.134228 1.131263
C 3.229782 0.057222 -0.862500
C 1.616149 3.497183 -0.364015
C 3.241509 -1.952699 0.518825
C -0.101060 3.502423 1.369495
C 0.872648 4.194994 0.611973
C 4.641905 0.063149 -0.863987
C 4.642927 -1.938013 0.488489
C 5.371450 -0.941402 -0.190434
H -2.275591 -0.025227 -1.826119
H -1.939990 1.456775 -0.875223
H -1.066838 -2.213191 1.010306
H -1.695105 -2.332914 -0.671200
H -3.710700 0.877469 0.761917
H -4.375513 0.865948 -0.908856
H -3.493614 -2.836995 0.912661
H -3.174336 -1.336163 1.854621
H -5.814969 -0.504560 1.159013
H -5.676113 -2.235498 0.731189
H 0.660993 -2.073329 -0.174517
H -6.275882 -1.733292 -1.645319
H -6.407607 0.014801 -1.266619
H -1.079999 1.586843 1.718762
H 2.389661 4.007912 -0.946210
H 2.711570 -2.737027 1.068416
H -0.669745 4.025168 2.146279
H 1.059715 5.260217 0.785358
H 5.174088 0.849050 -1.408897
H -8.104283 -1.998288 -0.112836
H 6.464532 -0.949922 -0.201160


