%chk=000182306.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182306

0 1
Cl 3.842089 2.882010 -1.197841
Cl 5.454311 -2.000959 0.344854
S -3.518580 -0.065261 0.282740
O -3.585211 1.089997 1.127308
O -4.204389 -1.277762 0.665926
O -0.659358 1.073096 -0.774702
O 0.771176 -2.703310 1.543730
N -1.837074 -0.621757 0.300148
N 0.475704 -0.703450 0.335097
C -3.813571 0.312354 -1.417630
C -1.479807 -1.834980 1.084843
C -0.674796 0.061080 -0.115803
C 0.046817 -1.876335 1.064961
C -5.274746 -0.002458 -1.723040
C -3.479048 1.772246 -1.690322
C 1.841774 -0.324853 0.084111
C 2.873617 -1.254814 0.314019
C 2.140133 0.967902 -0.386676
C 3.473654 1.301172 -0.620145
C 4.189437 -0.865302 0.065241
C 4.524362 0.406670 -0.403939
H -3.171384 -0.325578 -2.084118
H -1.922072 -2.752256 0.626411
H -1.865916 -1.789352 2.131594
H -5.479436 0.107692 -2.798214
H -5.970648 0.674584 -1.207803
H -5.550468 -1.033972 -1.451095
H -3.747144 2.054869 -2.717556
H -4.010564 2.464501 -1.019944
H -2.399747 1.982748 -1.580467
H 2.662888 -2.263230 0.690137
H 1.349976 1.705256 -0.575839
H 5.560321 0.689452 -0.591985


%chk=000182306-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182306

0 1
Cl 3.898832 3.020273 -0.936204
Cl 5.512722 -2.214154 -0.051725
S -3.518872 0.058663 0.372566
O -3.425956 1.404007 1.267047
O -4.419916 -1.179780 0.909887
O -0.666652 0.945097 -0.881798
O 0.840582 -2.646028 1.824102
N -1.779678 -0.781247 0.293035
N 0.498823 -0.747996 0.402159
C -3.858855 0.466302 -1.614270
C -1.439181 -1.851999 1.237213
C -0.667842 -0.066549 -0.138676
C 0.098941 -1.838764 1.224464
C -5.216818 -0.150517 -1.918067
C -3.706660 1.969814 -1.757445
C 1.856618 -0.373142 0.109141
C 2.878920 -1.356460 0.163273
C 2.161941 0.972282 -0.222247
C 3.498543 1.298942 -0.503681
C 4.196155 -0.960866 -0.120876
C 4.546258 0.359571 -0.461426
H -3.009385 -0.098897 -2.034552
H -1.823163 -2.833725 0.914329
H -1.808405 -1.657759 2.261679
H -5.358764 -0.132316 -3.016099
H -6.040434 0.419803 -1.456848
H -5.284257 -1.199084 -1.582653
H -3.850585 2.221057 -2.827149
H -4.462309 2.519556 -1.171811
H -2.699210 2.301851 -1.462087
H 2.654930 -2.386631 0.440789
H 1.377668 1.727484 -0.278279
H 5.578309 0.641213 -0.679791


