%chk=000187919.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187919

0 1
Cl 1.595283 2.753328 -0.985232
Cl -0.242682 -1.762386 1.363797
Cl 2.527107 -3.048969 1.010540
Cl 4.348811 1.428760 -1.331213
Cl 4.827335 -1.477470 -0.354964
S -0.904602 0.175523 -2.634509
P -1.683317 0.709023 -0.979507
O -0.479386 0.995789 0.221224
O -2.472734 2.143448 -0.891300
C -2.855673 -0.412125 -0.155941
C 0.736575 0.395762 0.043949
C -3.836153 0.126516 0.679737
C -2.748164 -1.788747 -0.367024
C -1.770238 3.341247 -1.354917
C 1.804776 1.133292 -0.509481
C 0.977774 -0.899346 0.551040
C -4.734589 -0.736894 1.317241
C -3.649940 -2.643927 0.276653
C -4.638968 -2.117899 1.115399
C 2.248005 -1.475440 0.420733
C 3.070588 0.544986 -0.635220
C -1.203013 4.052107 -0.142967
C 3.292361 -0.763292 -0.184543
H -3.920331 1.206499 0.842547
H -1.983685 -2.219111 -1.023134
H -1.005300 3.109419 -2.120058
H -2.602531 3.902918 -1.827632
H -5.506516 -0.333164 1.970317
H -3.581702 -3.719901 0.122380
H -5.339631 -2.788754 1.614034
H -0.521488 4.860247 -0.433305
H -1.994316 4.482064 0.483890
H -0.636255 3.365096 0.508666


%chk=000187919-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187919

0 1
Cl 1.774750 2.693650 0.435549
Cl 0.078848 -2.563049 0.196804
Cl 3.114917 -3.539704 -0.296005
Cl 4.824908 1.749544 -0.017180
Cl 5.488675 -1.373318 -0.399249
S -0.895601 -0.039258 -2.679185
P -1.521185 0.499262 -0.791637
O -0.194009 0.435420 0.485337
O -2.066091 2.118047 -0.546174
C -2.883131 -0.409861 0.045012
C 1.095015 0.014357 0.220664
C -3.438465 0.106003 1.239986
C -3.355770 -1.611950 -0.526894
C -1.481613 3.234096 -1.350698
C 2.160776 0.953765 0.193901
C 1.412818 -1.364563 0.077988
C -4.485902 -0.601936 1.867773
C -4.406903 -2.308874 0.108633
C -4.969420 -1.807012 1.305153
C 2.744482 -1.789770 -0.112917
C 3.496854 0.536924 0.010113
C -2.280434 4.479950 -0.980163
C 3.791016 -0.837782 -0.152871
H -3.066534 1.044264 1.661492
H -2.911986 -1.988132 -1.455539
H -0.412501 3.336864 -1.092402
H -1.575235 2.979788 -2.423306
H -4.923679 -0.212739 2.792931
H -4.782500 -3.239467 -0.329317
H -5.783017 -2.351633 1.796717
H -1.895364 5.347547 -1.547157
H -3.348434 4.349087 -1.223161
H -2.187885 4.699077 0.097003


