%chk=000207602.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207602

0 1
Cl -1.441351 3.615540 0.469499
S -4.185948 -1.916918 -0.346932
O 0.491449 -0.624302 1.503114
O 0.235096 2.731379 -1.654005
O -5.532732 -1.717374 -0.838328
O -3.271302 -2.824185 -1.004860
N 0.035734 1.049046 -0.041652
N -4.359084 -2.483532 1.263435
C 2.359005 0.722646 0.540993
C 2.227470 1.780699 -0.588908
C 0.901014 0.240411 0.773740
C 3.302410 -0.398984 0.141673
C 2.824963 1.348142 1.858727
C 0.756603 1.980034 -0.876833
C -1.397366 0.950912 -0.009316
C 2.958499 -1.749597 0.275804
C 4.576517 -0.060497 -0.348479
C -2.022324 -0.296905 -0.179610
C -2.190254 2.097308 0.203125
C -3.414732 -0.374760 -0.151862
C 3.864890 -2.747811 -0.098360
C 5.478447 -1.059234 -0.718930
C 5.123234 -2.407426 -0.599271
C -3.584391 2.014606 0.205228
C -4.196219 0.770826 0.025291
H 2.700847 2.744453 -0.316504
H 2.740897 1.459986 -1.521298
H 2.182585 2.178134 2.177196
H 3.850201 1.731589 1.781881
H 2.825721 0.602654 2.669304
H 1.988478 -2.045756 0.684378
H 4.870933 0.983929 -0.436886
H -1.410566 -1.196511 -0.332387
H 3.583144 -3.795718 0.005059
H 6.461829 -0.787922 -1.100791
H 5.825718 -3.185886 -0.892224
H -4.187112 2.913556 0.348077
H -5.290778 0.701136 0.016370
H -5.296894 -2.643838 1.623426
H -3.740227 -3.221130 1.591916


%chk=000207602-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207602

0 1
Cl -1.252563 3.496152 1.283094
S -4.417185 -1.768802 -0.684045
O 0.551012 -0.653944 1.512978
O 0.090018 2.695004 -1.737641
O -5.917530 -1.334163 -1.136910
O -3.401797 -2.607898 -1.641749
N 0.015502 1.020187 -0.059382
N -4.660387 -2.663778 0.899612
C 2.362316 0.691415 0.372571
C 2.167350 1.612291 -0.869918
C 0.923088 0.212941 0.691457
C 3.382400 -0.440876 0.142320
C 2.807825 1.534484 1.617640
C 0.674082 1.895356 -0.980043
C -1.405201 0.960493 0.104535
C 3.264276 -1.713095 0.759101
C 4.534041 -0.173527 -0.645229
C -2.105982 -0.198801 -0.296911
C -2.130720 2.036398 0.673056
C -3.494632 -0.224912 -0.128161
C 4.262085 -2.696273 0.570029
C 5.533059 -1.154168 -0.828089
C 5.399442 -2.424335 -0.222706
C -3.534381 1.997582 0.800165
C -4.237876 0.844606 0.394187
H 2.719094 2.564783 -0.804060
H 2.480547 1.111086 -1.803563
H 2.120226 2.383351 1.789910
H 3.825613 1.927068 1.449739
H 2.821866 0.901607 2.520799
H 2.393179 -1.932847 1.382710
H 4.662972 0.806910 -1.118927
H -1.576681 -1.043501 -0.748947
H 4.148501 -3.676514 1.046464
H 6.411836 -0.926452 -1.441749
H 6.171091 -3.188756 -0.365761
H -4.066074 2.853912 1.223080
H -5.327646 0.785785 0.470849
H -5.620428 -3.046252 0.900171
H -3.927933 -3.383821 1.010123


