%chk=000186048.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186048

0 1
Cl -5.216243 1.237915 -1.639726
S -0.796765 -1.366579 1.962372
O -0.783930 -2.816062 1.577711
O 0.229734 1.214916 2.667991
N 2.696521 -0.590883 0.030798
N 4.335152 1.133728 0.288748
N 2.213201 1.249842 1.502429
C 1.491134 -1.242704 0.369002
C 0.669462 -0.649670 1.279431
C 3.017829 0.659336 0.653009
C 0.968109 0.642987 1.893209
C -2.006104 -0.610018 0.883776
C 1.240624 -2.522066 -0.331333
C 4.343782 1.787751 -1.054794
C 4.940985 2.008115 1.337205
C -2.312856 0.739926 1.053238
C -2.685730 -1.399932 -0.043838
C -3.313926 1.322498 0.267821
C -3.689436 -0.831861 -0.835011
C -3.981572 0.523664 -0.663482
H 3.372062 -1.034918 -0.593967
H 0.628507 -2.377793 -1.236211
H 0.627600 -3.218447 0.311768
H 2.139585 -3.081529 -0.612558
H 5.394120 1.963056 -1.347194
H 3.812646 2.754316 -1.082784
H 3.896954 1.126475 -1.812617
H 4.948114 1.470449 2.302207
H 4.404903 2.959636 1.497257
H 5.984690 2.220668 1.057798
H -1.777588 1.351110 1.792752
H -2.438078 -2.462958 -0.145033
H -3.567056 2.375896 0.383029
H -4.232830 -1.431663 -1.563300


%chk=000186048-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186048

0 1
Cl -5.624501 1.395208 -1.205752
S -0.763760 -1.637524 1.872699
O -0.819407 -3.136708 1.117214
O 0.222242 0.975447 2.831088
N 2.699144 -0.363839 -0.111570
N 4.182328 1.439115 0.327315
N 2.221685 1.222176 1.625513
C 1.546046 -1.128378 0.156895
C 0.741140 -0.688592 1.182121
C 3.010610 0.778163 0.643841
C 1.030137 0.546748 1.941529
C -2.141301 -0.662979 0.958319
C 1.330994 -2.321067 -0.739633
C 5.073778 0.968618 -0.742677
C 4.562399 2.649379 1.081285
C -2.485959 0.647041 1.341949
C -2.829495 -1.375640 -0.036764
C -3.557971 1.280513 0.669469
C -3.899220 -0.741866 -0.709324
C -4.239542 0.575808 -0.343550
H 3.310280 -0.678611 -0.867238
H 0.977727 -1.993396 -1.736211
H 0.560329 -2.979089 -0.296388
H 2.270206 -2.890259 -0.874615
H 5.947544 1.635656 -0.788330
H 4.587092 0.996657 -1.739364
H 5.454363 -0.055927 -0.551809
H 3.768324 2.853946 1.814362
H 4.666056 3.513069 0.398539
H 5.518917 2.490930 1.613776
H -1.926840 1.162281 2.129583
H -2.527219 -2.407478 -0.256472
H -3.853528 2.299526 0.934648
H -4.458998 -1.263723 -1.490747


