%chk=000182305.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182305

0 1
Cl 3.291043 2.944329 -1.866970
Cl 5.619052 -1.408477 0.243691
S -3.512296 -0.570053 0.591158
O -3.742923 0.488258 1.530658
O -4.074342 -1.874776 0.830733
O -0.913692 0.744779 -0.752958
O 1.150486 -2.486488 1.895914
N -1.774215 -0.900483 0.635925
N 0.525152 -0.720852 0.467259
C -1.219028 -1.945903 1.534377
C -3.758960 -0.050958 -1.044758
C -0.738939 -0.162979 0.027824
C 0.296753 -1.821469 1.380646
C -5.182470 0.490088 -1.231064
C 1.811634 -0.230023 0.046470
C -5.406132 0.989640 -2.655500
C 2.967510 -0.984448 0.323320
C 1.908293 0.997300 -0.636188
C 3.169165 1.443356 -1.030198
C 4.202684 -0.487942 -0.092840
C 4.338483 0.723870 -0.773561
H -1.580455 -2.961638 1.239751
H -1.523105 -1.789538 2.597062
H -3.573237 -0.861584 -1.784142
H -3.025552 0.740557 -1.357123
H -5.927908 -0.300468 -0.998263
H -5.370346 1.322544 -0.516524
H -6.424221 1.381131 -2.779093
H -4.714668 1.800274 -2.917943
H -5.272653 0.192770 -3.396682
H 2.914441 -1.938684 0.861450
H 1.018809 1.597629 -0.865055
H 5.314539 1.092639 -1.089874


%chk=000182305-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182305

0 1
Cl 3.448417 3.321996 -1.210144
Cl 5.676988 -1.673485 -0.275681
S -3.496529 -0.387269 0.683133
O -3.543620 1.023511 1.472448
O -4.246498 -1.681846 1.306810
O -0.842759 0.743436 -0.806940
O 1.218472 -2.488427 1.982060
N -1.685092 -1.015158 0.540094
N 0.576539 -0.728821 0.488736
C -1.168528 -1.985714 1.512424
C -3.917799 -0.126298 -1.201167
C -0.687553 -0.212004 -0.008974
C 0.354543 -1.805324 1.392826
C -5.267419 0.578339 -1.326359
C 1.862410 -0.224714 0.085495
C -5.584073 0.814337 -2.825471
C 2.985988 -1.091480 0.098373
C 1.996826 1.131223 -0.309329
C 3.268047 1.586957 -0.695937
C 4.231075 -0.570577 -0.291111
C 4.411452 0.765383 -0.697636
H -1.460041 -3.020102 1.267192
H -1.490179 -1.772093 2.548971
H -3.894555 -1.158854 -1.585797
H -3.052915 0.464325 -1.547317
H -6.066556 -0.031917 -0.866588
H -5.234769 1.545682 -0.793064
H -6.554501 1.331214 -2.923682
H -4.813544 1.443430 -3.306180
H -5.649584 -0.138104 -3.381743
H 2.894143 -2.128304 0.422654
H 1.134194 1.797469 -0.333159
H 5.390322 1.145591 -0.997434


